RCSB PDB: Search

2OO1 \| pdb_00002oo1	Download File View File

Crystal structure of the Bromo domain 2 of human Bromodomain containing protein 3 (BRD3)

Filippakopoulos, P., Bullock, A., Papagrigoriou, E., Keates, T., Cooper, C., Smee, C., Ugochukwu, E., Debreczeni, J., von Delft, F., Arrowsmith, C., Edwards, A., Weigelt, J., Sundstrom, M., Knapp, S., Structural Genomics Consortium (SGC)

(2012) Cell 149: 214-231

Released	2007-02-13
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	Bromodomain-containing protein 3 (protein)
Unique Ligands	7PE, EDO, NA

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2OVJ \| pdb_00002ovj	Download File View File

The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.

Shrestha, L., Papagrigoriou, E., Soundararajan, M., Elkins, J., Johansson, C., von Delft, F., Pike, A.C.W., Burgess, N., Turnbull, A., Debreczeni, J., Gorrec, F., Umeano, C., Edwards, A., Arrowsmith, C.H., Weigelt, J., Sundstrom, M., Doyle, D.A., Structural Genomics Consortium (SGC)

To be published

Released	2007-02-27
Method	X-RAY DIFFRACTION 1.49 Å
Organisms	Homo sapiens
Macromolecule	Rac GTPase-activating protein 1 (protein)
Unique Ligands	7PE

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2PYE \| pdb_00002pye	Download File View File

Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry TCR Clone C5C1 Complexed with MHC

Sami, M., Rizkallah, P.J., Dunn, S., Li, Y., Moysey, R., Vuidepot, A., Baston, E., Todorov, P., Molloy, P., Gao, F., Boulter, J.M., Jakobsen, B.K.

(2007) Protein Eng Des Sel 20: 397-403

Released	2007-09-25
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	Homo sapiens
Macromolecule	Beta-2-microglobulin (protein) Cancer/testis antigen 1B (protein) HLA class I histocompatibility antigen, A-2 alpha chain (protein) T-Cell Receptor, Alpha Chain (protein) T-Cell Receptor, Beta Chain (protein)
Unique Ligands	7PE, GOL, PGE, SO4

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2Q8Z \| pdb_00002q8z	Download File View File

Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase complexed with 6-amino-UMP

Liu, Y., Lau, W., Bello, A.M., Kotra, L.P., Hui, R., Pai, E.F.

(2008) J Med Chem 51: 439-448

Released	2008-01-29
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Plasmodium falciparum 3D7
Macromolecule	Orotidine-monophosphate-decarboxylase (protein)
Unique Ligands	7PE, NUP, PEG, SO4

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2WOX \| pdb_00002wox	Download File View File

Betaine aldehyde dehydrogenase from Pseudomonas aeruginosa with NAD(P) H-catalytic thiol adduct.

Gonzalez-Segura, L., Rudino-Pinera, E., Diaz-Sanchez, A.G., Munoz-Clares, R.A.

(2011) Biochem J 439: 443-452

Released	2010-08-25
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	Pseudomonas aeruginosa
Macromolecule	BETAINE ALDEHYDE DEHYDROGENASE (protein)
Unique Ligands	7PE, BME, GOL, K, NDP

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2ZMC \| pdb_00002zmc	Download File View File

Crystal structure of human mitotic checkpoint kinase Mps1 catalytic domain apo form

Chu, M.L.H., Chavas, L.M.G., Douglas, K.T., Eyers, P.A., Tabernero, L.

(2008) J Biological Chem 283: 21495-21500

Released	2008-05-13
Method	X-RAY DIFFRACTION 3.14 Å
Organisms	Homo sapiens
Macromolecule	Dual specificity protein kinase TTK (protein)
Unique Ligands	7PE

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2ZMD \| pdb_00002zmd	Download File View File

Crystal structure of human Mps1 catalytic domain T686A mutant in complex with SP600125 inhibitor

Chu, M.L.H., Chavas, L.M.G., Douglas, K.T., Eyers, P.A., Tabernero, L.

(2008) J Biological Chem 283: 21495-21500

Released	2008-05-13
Method	X-RAY DIFFRACTION 2.88 Å
Organisms	Homo sapiens
Macromolecule	Dual specificity protein kinase TTK (protein)
Unique Ligands	537, 7PE

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3A3U \| pdb_00003a3u	Download File View File

Crystal structure of MqnD (TTHA1568), a menaquinone biosynthetic enzyme from Thermus thermophilus HB8

Arai, R., Nishino, A., Nagano, K., Uchikubo-Kamo, T., Katsura, K., Nishimoto, M., Toyama, M., Terada, T., Kuramitsu, S., Murayama, K., Shirouzu, M., Yokoyama, S., RIKEN Structural Genomics/Proteomics Initiative (RSGI)

(2009) J Struct Biol 168: 575-581

Released	2009-07-14
Method	X-RAY DIFFRACTION 1.65 Å
Organisms	Thermus thermophilus HB8
Macromolecule	Menaquinone biosynthetic enzyme (protein)
Unique Ligands	7PE, K, TLA

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3AHX \| pdb_00003ahx	Download File View File

Crystal structure of beta-glucosidase A from bacterium Clostridium cellulovorans

Jeng, W.-Y., Liu, C.-I., Wang, A.H.-J.

(2011) J Struct Biol 173: 46-56

Released	2010-08-18
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Clostridium cellulovorans
Macromolecule	Beta-glucosidase A (protein)
Unique Ligands	7PE

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3CEK \| pdb_00003cek	Download File View File

Crystal structure of human dual specificity protein kinase (TTK)

Filippakopoulos, P., Soundararajan, M., Keates, T., Elkins, J.M., King, O., Fedorov, O., Picaud, S.S., Pike, A.C.W., Roos, A., Pilka, E., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)

(2010) Nat Chem Biol 6: 359-368

Released	2008-03-18
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	Homo sapiens
Macromolecule	Dual specificity protein kinase TTK (protein)
Unique Ligands	7PE

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3FGT \| pdb_00003fgt	Download File View File

Two chain form of the 66.3 kDa protein from mouse lacking the linker peptide

Lakomek, K., Dickmanns, A., Ficner, R.

(2009) BMC Struct Biol 9: 56-56

Released	2009-09-15
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Mus musculus
Macromolecule	Putative phospholipase B-like 2 28 kDa form (protein) Putative phospholipase B-like 2 40 kDa form (protein)
Unique Ligands	7PE, ACT, GOL, NA, NAG, PG4
Unique branched monosaccharides	NAG

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3GFW \| pdb_00003gfw	Download File View File

Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand

Filippakopoulos, P., Soundararajan, M., Choi, H., Keates, T., Elkins, J.M., King, O., Fedorov, O., Picaud, S.S., Pike, A.C.W., von Delft, F., Arrowsmith, C.H., Edwards, A., Weigelt, J., Bountra, C., Grey, N., Knapp, S., Structural Genomics Consortium (SGC)

(2010) Nat Chem Biol 6: 359-368

Released	2009-03-17
Method	X-RAY DIFFRACTION 2.74 Å
Organisms	Homo sapiens
Macromolecule	Dual specificity protein kinase TTK (protein)
Unique Ligands	7PE, S22

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3HMN \| pdb_00003hmn	Download File View File

Crystal structure of human Mps1 catalytic domain in complex with ATP

Chu, M.L.H., Chavas, L.M.G., Williams, D.H., Tabernero, L., Eyers, P.A.

(2010) Biochemistry 49: 1689-1701

Released	2010-02-02
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Homo sapiens
Macromolecule	Dual specificity protein kinase TTK (protein)
Unique Ligands	7PE, ATP

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3HMO \| pdb_00003hmo	Download File View File

Crystal structure of human Mps1 catalytic domain in complex with the inhibitor staurosporine

Chu, M.L.H., Chavas, L.M.G., Williams, D.H., Tabernero, L., Eyers, P.A.

(2010) Biochemistry 49: 1689-1701

Released	2010-02-02
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Homo sapiens
Macromolecule	Dual specificity protein kinase TTK (protein)
Unique Ligands	7PE, GOL, IPA, STU

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3HMP \| pdb_00003hmp	Download File View File

Crystal structure of human Mps1 catalytic domain in complex with a quinazolin ligand Compound 4

Chu, M.L.H., Chavas, L.M.G., Williams, D.H., Tabernero, L., Eyers, P.A.

(2010) Biochemistry 49: 1689-1701

Released	2010-02-02
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	Homo sapiens
Macromolecule	Dual specificity protein kinase TTK (protein)
Unique Ligands	7PE, CX4, GOL, IPA, PEG

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3Q9X \| pdb_00003q9x	Download File View File

Crystal structure of human CK2 alpha in complex with emodin at pH 6.5

Battistutta, R., Ranchio, A., Papinutto, E.

To be published

Released	2012-01-11
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	Casein kinase II subunit alpha (protein)
Unique Ligands	7PE, EDO, EMO, PEG, SO4

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3UV2 \| pdb_00003uv2	Download File View File

Crystal structure of the bromodomain of human nucleosome-remodeling factor subunit BPTF

Filippakopoulos, P., Picaud, S., Keates, T., Ugochukwu, E., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)

(2012) Cell 149: 214-231

Released	2012-01-18
Method	X-RAY DIFFRACTION 1.58 Å
Organisms	Homo sapiens
Macromolecule	bromodomain of human nucleosome-remodeling factor subunit BPTF (protein)
Unique Ligands	7PE

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3V20 \| pdb_00003v20	Download File View File

Crystal structure of Type IIF restriction endonuclease Bse634I with cognate DNA

Manakova, E.N., Grazulis, S., Golovenko, D., Tamulaitiene, G.

(2012) Nucleic Acids Res 40: 6741-6751

Released	2012-04-25
Method	X-RAY DIFFRACTION 2.35 Å
Organisms	Geobacillus stearothermophilus synthetic construct
Macromolecule	Endonuclease Bse634IR (protein) DNA (5'-D(TPCPGPCPAPCPCPGPGPTPGPCP*G)-3') (nucleic acid)
Unique Ligands	7PE, CA, CL

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4BHZ \| pdb_00004bhz	Download File View File

Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J.

(2013) J Chem Inf Model 53: 1100

Released	2013-05-22
Method	X-RAY DIFFRACTION 2.85 Å
Organisms	Homo sapiens
Macromolecule	DUAL SPECIFICITY PROTEIN KINASE TTK (protein)
Unique Ligands	7PE, EDO, Z0B

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4BI0 \| pdb_00004bi0	Download File View File

Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J.

(2013) J Chem Inf Model 53: 1100

Released	2013-05-22
Method	X-RAY DIFFRACTION 2.84 Å
Organisms	Homo sapiens
Macromolecule	DUAL SPECIFICITY PROTEIN KINASE TTK (protein)
Unique Ligands	7PE, EDO, Z0W

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4BI1 \| pdb_00004bi1	Download File View File

Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J.

(2013) J Chem Inf Model 53: 1100

Released	2013-05-22
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Homo sapiens
Macromolecule	DUAL SPECIFICITY PROTEIN KINASE TTK (protein)
Unique Ligands	7PE, EDO, ZO6

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4BI2 \| pdb_00004bi2	Download File View File

Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J.

(2013) J Chem Inf Model 53: 1100

Released	2013-05-22
Method	X-RAY DIFFRACTION 3.11 Å
Organisms	Homo sapiens
Macromolecule	DUAL SPECIFICITY PROTEIN KINASE TTK (protein)
Unique Ligands	7PE, EDO, ZO8

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4C4E \| pdb_00004c4e	Download File View File

Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1

Naud, S., Westwood, I.M., Faisal, A., Sheldrake, P., Bavetsias, V., Atrash, B., Liu, M., Hayes, A., Schmitt, J., Wood, A., Choi, V., Boxall, K., Mak, G., Gurden, M., Valenti, M., de Haven Brandon, A., Henley, A., Baker, R., McAndrew, C., Matijssen, B., Burke, R., Eccles, S.A., Raynaud, F.I., Linardopoulos, S., van Montfort, R., Blagg, J.

(2013) J Med Chem 56: 10045

Released	2013-12-04
Method	X-RAY DIFFRACTION 2.6 Å
Organisms	Homo sapiens
Macromolecule	DUAL SPECIFICITY PROTEIN KINASE TTK (protein)
Unique Ligands	1PE, 4T9, 7PE

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4C4F \| pdb_00004c4f	Download File View File

Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1

Naud, S., Westwood, I.M., Faisal, A., Sheldrake, P., Bavetsias, V., Atrash, B., Liu, M., Hayes, A., Schmitt, J., Wood, A., Choi, V., Boxall, K., Mak, G., Gurden, M., Valenti, M., de Haven Brandon, A., Henley, A., Baker, R., McAndrew, C., Matijssen, B., Burke, R., Eccles, S.A., Raynaud, F.I., Linardopoulos, S., van Montfort, R., Blagg, J.

(2013) J Med Chem 56: 10045

Released	2013-12-04
Method	X-RAY DIFFRACTION 2.36 Å
Organisms	Homo sapiens
Macromolecule	DUAL SPECIFICITY PROTEIN KINASE TTK (protein)
Unique Ligands	7CE, 7PE, EDO

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4C4G \| pdb_00004c4g	Download File View File

Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1

Naud, S., Westwood, I.M., Faisal, A., Sheldrake, P., Bavetsias, V., Atrash, B., Liu, M., Hayes, A., Schmitt, J., Wood, A., Choi, V., Boxall, K., Mak, G., Gurden, M., Valenti, M., de Haven Brandon, A., Henley, A., Baker, R., McAndrew, C., Matijssen, B., Burke, R., Eccles, S.A., Raynaud, F.I., Linardopoulos, S., van Montfort, R., Blagg, J.

(2013) J Med Chem 56: 10045

Released	2013-12-04
Method	X-RAY DIFFRACTION 2.65 Å
Organisms	Homo sapiens
Macromolecule	DUAL SPECIFICITY PROTEIN KINASE TTK (protein)
Unique Ligands	7PE, 7RO, EDO

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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

Membrane Protein Annotation

Symmetry Type

SCOP Classification

2OO1 | pdb_00002oo1

2OVJ | pdb_00002ovj

2PYE | pdb_00002pye

2Q8Z | pdb_00002q8z

2WOX | pdb_00002wox

2ZMC | pdb_00002zmc

2ZMD | pdb_00002zmd

3A3U | pdb_00003a3u

3AHX | pdb_00003ahx

3CEK | pdb_00003cek

3FGT | pdb_00003fgt

3GFW | pdb_00003gfw

3HMN | pdb_00003hmn

3HMO | pdb_00003hmo

3HMP | pdb_00003hmp

3Q9X | pdb_00003q9x

3UV2 | pdb_00003uv2

3V20 | pdb_00003v20

4BHZ | pdb_00004bhz

4BI0 | pdb_00004bi0

4BI1 | pdb_00004bi1

4BI2 | pdb_00004bi2

4C4E | pdb_00004c4e

4C4F | pdb_00004c4f

4C4G | pdb_00004c4g