RCSB PDB: Search

2C8W \| pdb_00002c8w	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 1.96 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN LIGHT CHAIN (protein)
Unique Ligands	C7M, NA

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2C8X \| pdb_00002c8x	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.17 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN LIGHT CHAIN (protein)
Unique Ligands	C5M, DMS, NA

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2C8Y \| pdb_00002c8y	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN LIGHT CHAIN (protein)
Unique Ligands	C3M, DMS, NA

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2C8Z \| pdb_00002c8z	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.14 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN, LIGHT CHAIN (protein)
Unique Ligands	C2A, DMS, NA

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2C90 \| pdb_00002c90	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.25 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN LIGHT CHAIN (protein)
Unique Ligands	C1M, DMS, NA

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2C93 \| pdb_00002c93	Download File View File

thrombin inhibitors

Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.

(2006) J Med Chem 49: 1346

Released	2006-07-04
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Hirudo medicinalis Homo sapiens
Macromolecule	HIRUDIN VARIANT-2 (protein) THROMBIN HEAVY CHAIN (protein) THROMBIN, LIGHT CHAIN (protein)
Unique Ligands	C4M, DMS, NA

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2W1C \| pdb_00002w1c	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 3.24 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0C

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2W1D \| pdb_00002w1d	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.97 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0D

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2W1E \| pdb_00002w1e	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.93 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0E

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2W1F \| pdb_00002w1f	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.85 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0F

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2W1G \| pdb_00002w1g	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.71 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0G

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2W1H \| pdb_00002w1h	Download File View File

Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.15 Å
Organisms	Homo sapiens
Macromolecule	CELL DIVISION PROTEIN KINASE 2 (protein)
Unique Ligands	L0F

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2W1I \| pdb_00002w1i	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.6 Å
Organisms	Homo sapiens
Macromolecule	JAK2 (protein)
Unique Ligands	L0I

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4AUA \| pdb_00004aua	Download File View File

Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)

Cho, Y.S., Angove, H., Brain, C., Chen, C.H.T., Cheng, R., Chopra, R., Chung, K., Congreve, M., Dagostin, C., Davis, D., Feltell, R., Giraldes, J., Hiscock, S., Kim, S., Kovats, S., Lagu, B., Lewry, K., Loo, A., Lu, Y., Luzzio, M., Maniara, W., Mcmenamin, R., Mortenson, P., Benning, R., O'Reilly, M., Rees, D., Shen, J., Smith, T., Wang, Y., Williams, G., Woolford, A., Wrona, W., Xu, M., Yang, F., Howard, S.

(2012) ACS Med Chem Lett 3: 445-449

Released	2013-02-06
Method	X-RAY DIFFRACTION 2.31 Å
Organisms	Homo sapiens
Macromolecule	CYCLIN-DEPENDENT KINASE 6 (protein)
Unique Ligands	4AU

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4CC5 \| pdb_00004cc5	Download File View File

Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase

Howard, S., Amin, N., Benowitz, A.B., Chiarparin, E., Cui, H., Deng, X., Heightman, T.D., Holmes, D.J., Hopkins, A., Huang, J., Jin, Q., Kreatsoulas, C., Martin, A.C.L., Massey, F., McCloskey, L., Mortenson, P.N., Pathuri, P., Tisi, D., Williams, P.A.

(2013) ACS Med Chem Lett 4: 1208

Released	2014-06-18
Method	X-RAY DIFFRACTION 1.88 Å
Organisms	Staphylococcus aureus
Macromolecule	DNA LIGASE (protein)
Unique Ligands	L5V, SO4

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4CC6 \| pdb_00004cc6	Download File View File

Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase

Howard, S., Amin, N., Benowitz, A.B., Chiarparin, E., Cui, H., Deng, X., Heightman, T.D., Holmes, D.J., Hopkins, A., Huang, J., Jin, Q., Kreatsoulas, C., Martin, A.C.L., Massey, F., McCloskey, L., Mortenson, P.N., Pathuri, P., Tisi, D., Williams, P.A.

(2013) ACS Med Chem Lett 4: 1208

Released	2014-06-18
Method	X-RAY DIFFRACTION 2.01 Å
Organisms	Staphylococcus aureus
Macromolecule	DNA LIGASE (protein)
Unique Ligands	L5Y, SO4

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4D2P \| pdb_00004d2p	Download File View File

Structure of MELK in complex with inhibitors

Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.

(2015) ACS Med Chem Lett 6: 25

Released	2014-10-08
Method	X-RAY DIFFRACTION 2.55 Å
Organisms	Homo sapiens
Macromolecule	MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (protein)
Unique Ligands	6Z7

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4D2T \| pdb_00004d2t	Download File View File

Structure of MELK in complex with inhibitors

Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.

(2015) ACS Med Chem Lett 6: 25

Released	2014-10-15
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Homo sapiens
Macromolecule	MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (protein)
Unique Ligands	3I7

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4D2V \| pdb_00004d2v	Download File View File

Structure of MELK in complex with inhibitors

Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.

(2015) ACS Med Chem Lett 6: 25

Released	2014-10-15
Method	X-RAY DIFFRACTION 2.45 Å
Organisms	Homo sapiens
Macromolecule	MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (protein)
Unique Ligands	45R

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4D2W \| pdb_00004d2w	Download File View File

Structure of MELK in complex with inhibitors

Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.

(2015) ACS Med Chem Lett 6: 25

Released	2014-10-08
Method	X-RAY DIFFRACTION 1.92 Å
Organisms	Homo sapiens
Macromolecule	MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (protein)
Unique Ligands	NF5

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4EZ5 \| pdb_00004ez5	Download File View File

CDK6 (monomeric) in complex with inhibitor

Chopra, R., Xu, M.

(2012) ACS Med Chem Lett 3: 445-449

Released	2013-02-06
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Homo sapiens
Macromolecule	Cyclin-dependent kinase 6 (protein)
Unique Ligands	0RS

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4UMP \| pdb_00004ump	Download File View File

Structure of MELK in complex with inhibitors

Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.

(2015) ACS Med Chem Lett 6: 25

Released	2014-10-08
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	Homo sapiens
Macromolecule	MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (protein)
Unique Ligands	5QM

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4UMQ \| pdb_00004umq	Download File View File

Structure of MELK in complex with inhibitors

Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.

(2015) ACS Med Chem Lett 6: 25

Released	2014-10-08
Method	X-RAY DIFFRACTION 2.6 Å
Organisms	Homo sapiens
Macromolecule	MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (protein)
Unique Ligands	B5S

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4UMR \| pdb_00004umr	Download File View File

Structure of MELK in complex with inhibitors

Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.

(2015) ACS Med Chem Lett 6: 25

Released	2014-10-08
Method	X-RAY DIFFRACTION 3 Å
Organisms	Homo sapiens
Macromolecule	MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (protein)
Unique Ligands	QBB

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4UMT \| pdb_00004umt	Download File View File

Structure of MELK in complex with inhibitors

Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.

(2015) ACS Med Chem Lett 6: 31

Released	2014-10-22
Method	X-RAY DIFFRACTION 1.98 Å
Organisms	Homo sapiens
Macromolecule	MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (protein)
Unique Ligands	47W, DMS

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Structure Determination Methodology

Scientific Name of Source Organism

Taxonomy

Experimental Method

Polymer Entity Type

Refinement Resolution (Å)

Release Date

Enzyme Classification Name

Symmetry Type

SCOP Classification

2C8W | pdb_00002c8w

2C8X | pdb_00002c8x

2C8Y | pdb_00002c8y

2C8Z | pdb_00002c8z

2C90 | pdb_00002c90

2C93 | pdb_00002c93

2W1C | pdb_00002w1c

2W1D | pdb_00002w1d

2W1E | pdb_00002w1e

2W1F | pdb_00002w1f

2W1G | pdb_00002w1g

2W1H | pdb_00002w1h

2W1I | pdb_00002w1i

4AUA | pdb_00004aua

4CC5 | pdb_00004cc5

4CC6 | pdb_00004cc6

4D2P | pdb_00004d2p

4D2T | pdb_00004d2t

4D2V | pdb_00004d2v

4D2W | pdb_00004d2w

4EZ5 | pdb_00004ez5

4UMP | pdb_00004ump

4UMQ | pdb_00004umq

4UMR | pdb_00004umr

4UMT | pdb_00004umt