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233,605 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Citation Author = "Whittington, D."

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Search Summary

This query matches 27 Structures.

Refinements

Structure Determination Methodology

experimental (27)

Scientific Name of Source Organism

	Homo sapiens (16)
	Pseudomonas putida (4)
	Bacillus subtilis (2)
	Mus musculus (2)
	Archaeoglobus fulgidus DSM 4304 (1)
	Helicobacter pylori 26695 (1)
	Helicobacter pylori J99 (1)

Taxonomy

	Eukaryota (18)
	Bacteria (8)
	Archaea (1)

Experimental Method

X-RAY DIFFRACTION (27)

Polymer Entity Type

Protein (27)

Refinement Resolution (Å)

	1.0 - 1.5 (4)
	1.5 - 2.0 (9)
	2.0 - 2.5 (8)
	2.5 - 3.0 (4)
	3.0 - 3.5 (2)

Release Date

	1995 - 1999 (2)
	2000 - 2004 (7)
	2005 - 2009 (2)
	2010 - 2014 (11)
	2015 - 2019 (5)

Enzyme Classification Name

	Transferases (16)
	Isomerases (9)

Symmetry Type

	Dihedral (8)
	Asymmetric (16)
	Cyclic (4)
	Tetrahedral (2)

SCOP Classification

	Alpha and beta proteins (a+b) (24)
	Alpha and beta proteins (a/b) (2)
	Artifacts (1)

AllSelected

1 to 25 of 27 Structures

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1BJP \| pdb_00001bjp	Download File View File

CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY 2-OXO-3-PENTYNOATE AT 2.4 ANGSTROMS RESOLUTION

Taylor, A.B., Czerwinski, R.M., Johnson Junior, W.H., Whitman, C.P., Hackert, M.L.

(1998) Biochemistry 37: 14692-14700

Released	1998-12-02
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Pseudomonas putida
Macromolecule	4-OXALOCROTONATE TAUTOMERASE (protein)
Unique Ligands	OXP

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1KAM \| pdb_00001kam	Download File View File

Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase

Olland, A.M., Underwood, K.W., Czerwinski, R.M., Lo, M.C., Aulabaugh, A., Bard, J., Stahl, M.L., Somers, W.S., Sullivan, F.X., Chopra, R.

(2002) J Biological Chem 277: 3698-3707

Released	2002-07-12
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Bacillus subtilis
Macromolecule	NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE (protein)

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1KAQ \| pdb_00001kaq	Download File View File

Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase

Olland, A.M., Underwood, K.W., Czerwinski, R.M., Lo, M.C., Aulabaugh, A., Bard, J., Stahl, M.L., Somers, W.S., Sullivan, F.X., Chopra, R.

(2002) J Biological Chem 277: 3698-3707

Released	2002-07-12
Method	X-RAY DIFFRACTION 3.2 Å
Organisms	Bacillus subtilis
Macromolecule	NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE (protein)
Unique Ligands	DND

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1MFI \| pdb_00001mfi	Download File View File

CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR COMPLEXED WITH (E)-2-FLUORO-P-HYDROXYCINNAMATE

Taylor, A.B., Johnson Jr., W.H., Czerwinski, R.M., Whitman, C.P., Hackert, M.L.

(1999) Biochemistry 38: 7444-7452

Released	1999-06-22
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Mus musculus
Macromolecule	PROTEIN (MACROPHAGE MIGRATION INHIBITORY FACTOR) (protein)
Unique Ligands	FHC

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1NXK \| pdb_00001nxk	Download File View File

Crystal structure of staurosporine bound to MAP KAP kinase 2

Underwood, K.W., Parris, K.D., Federico, E., Mosyak, L., Czerwinski, R.M., Shane, T., Taylor, M., Svenson, K., Liu, Y., Hsiao, C.L., Wolfrom, S., Malakian, K., Telliez, J.B., Lin, L.L., Kriz, R.W., Seehra, J., Somers, W.S., Stahl, M.L.

(2003) Structure 11: 627-636

Released	2003-10-14
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Homo sapiens
Macromolecule	MAP kinase-activated protein kinase 2 (protein)
Unique Ligands	SO4, STU

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1NY3 \| pdb_00001ny3	Download File View File

Crystal structure of ADP bound to MAP KAP kinase 2

Underwood, K.W., Parris, K.D., Federico, E., Mosyak, L., Shane, T., Taylor, M., Svenson, K., Liu, Y., Hsiao, C.L., Wolfrom, S., Maguire, M., Malakian, K., Telliez, J.B., Lin, L.L., Kriz, R.W., Seehra, J., Somers, W.S., Stahl, M.L.

(2003) Structure 11: 627-636

Released	2003-10-14
Method	X-RAY DIFFRACTION 3 Å
Organisms	Homo sapiens
Macromolecule	MAP kinase-activated protein kinase 2 (protein)
Unique Ligands	ADP

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2GDG \| pdb_00002gdg	Download File View File

Crystal structure of covalently modified macrophage inhibitory factor

Golubkov, P.A., Hackert, M.L.

(2006) Bioorg Chem 34: 183-199

Released	2006-07-04
Method	X-RAY DIFFRACTION 1.45 Å
Organisms	Mus musculus
Macromolecule	Macrophage migration inhibitory factor (protein)

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2ORM \| pdb_00002orm	Download File View File

Crystal Structure of the 4-Oxalocrotonate Tautomerase Homologue DmpI from Helicobacter pylori.

Hackert, M.L., Whitman, C.P., Almrud, J.J., Dasgupta, R., Czerwinski, R.M., Kern, A.D.

(2010) Bioorg Chem 38: 252-259

Released	2008-02-12
Method	X-RAY DIFFRACTION 2.1 Å
Organisms	Helicobacter pylori J99
Macromolecule	Probable tautomerase HP0924 (protein)

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3M20 \| pdb_00003m20	Download File View File

Crystal structure of DmpI from Archaeoglobus fulgidus determined to 2.37 Angstroms resolution

Hackert, M.L., Whitman, C.P., Almrud, J.J., Dasgupta, R., Kern, A.D.

(2010) Bioorg Chem 38: 252-259

Released	2010-09-01
Method	X-RAY DIFFRACTION 2.37 Å
Organisms	Archaeoglobus fulgidus DSM 4304
Macromolecule	4-oxalocrotonate tautomerase, putative (protein)

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3M21 \| pdb_00003m21	Download File View File

Crystal structure of DmpI from Helicobacter pylori Determined to 1.9 Angstroms resolution

Hackert, M.L., Whitman, C.P., Almrud, J.J., Dasgupta, R., Kern, A.D., Czerwinski, R.M.

(2010) Bioorg Chem 38: 252-259

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Helicobacter pylori 26695
Macromolecule	Probable tautomerase HP_0924 (protein)

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4HCT \| pdb_00004hct	Download File View File

Crystal structure of ITK in complex with compound 52

Zapf, C.W., Gerstenberger, B.S., Xing, L., Limburg, D.C., Anderson, D.R., Caspers, N., Han, S., Aulabaugh, A., Kurumbail, R., Shakya, S., Li, X., Spaulding, V., Czerwinski, R.M., Seth, N., Medley, Q.G.

(2012) J Med Chem 55: 10047-10063

Released	2012-11-14
Method	X-RAY DIFFRACTION 1.48 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase ITK/TSK (protein)
Unique Ligands	18R

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4HCU \| pdb_00004hcu	Download File View File

Crystal structure of ITK in complext with compound 40

Han, S., Caspers, N.

(2012) J Med Chem 55: 10047-10063

Released	2012-11-14
Method	X-RAY DIFFRACTION 1.43 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase ITK/TSK (protein)
Unique Ligands	13L

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4HCV \| pdb_00004hcv	Download File View File

Crystal structure of ITK in complex with compound 53

Han, S., Caspers, N.

(2012) J Med Chem 55: 10047-10063

Released	2012-11-14
Method	X-RAY DIFFRACTION 1.48 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase ITK/TSK (protein)
Unique Ligands	13J

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4M0Y \| pdb_00004m0y	Download File View File

Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]

Han, S., Caspers, N.L.

(2014) Biochem J 460: 211-222

Released	2014-04-02
Method	X-RAY DIFFRACTION 1.7 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase ITK/TSK (protein)
Unique Ligands	M0Y

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4M0Z \| pdb_00004m0z	Download File View File

Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}

Han, S., Caspers, N.L.

(2014) Biochem J 460: 211-222

Released	2014-04-02
Method	X-RAY DIFFRACTION 2 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase ITK/TSK (protein)
Unique Ligands	M0Z

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4M12 \| pdb_00004m12	Download File View File

Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]

Han, S., Caspers, N.L.

(2014) Biochem J 460: 211-222

Released	2014-04-02
Method	X-RAY DIFFRACTION 2.15 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase ITK/TSK (protein)
Unique Ligands	1YZ

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4M13 \| pdb_00004m13	Download File View File

Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]

Han, S., Caspers, N.L.

(2014) Biochem J 460: 211-222

Released	2014-04-02
Method	X-RAY DIFFRACTION 1.85 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase ITK/TSK (protein)
Unique Ligands	1E0

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4M14 \| pdb_00004m14	Download File View File

Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]

Han, S., Caspers, N.L.

(2014) Biochem J 460: 211-222

Released	2014-04-02
Method	X-RAY DIFFRACTION 1.55 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase ITK/TSK (protein)
Unique Ligands	QWS

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4M15 \| pdb_00004m15	Download File View File

Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP

Han, S., Caspers, N.L.

(2014) Biochem J 460: 211-222

Released	2014-04-02
Method	X-RAY DIFFRACTION 1.52 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase ITK/TSK (protein)
Unique Ligands	ADP, QWS

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4OTA \| pdb_00004ota	Download File View File

4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, ORTHORHOMBIC CRYSTAL FORM

Taylor, A.B., Whitman, C.P., Hackert, M.L.

(1998) Thesis

Released	2001-08-01
Method	X-RAY DIFFRACTION 2.75 Å
Organisms	Pseudomonas putida
Macromolecule	4-OXALOCROTONATE TAUTOMERASE (protein)
Unique Ligands	SO4

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4OTB \| pdb_00004otb	Download File View File

4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL CRYSTAL FORM

Taylor, A.B., Whitman, C.P., Hackert, M.L.

(1998) Thesis

Released	2001-08-01
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Pseudomonas putida
Macromolecule	4-OXALOCROTONATE TAUTOMERASE (protein)

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4OTC \| pdb_00004otc	Download File View File

4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM

Taylor, A.B., Whitman, C.P., Hackert, M.L.

(1998) Thesis

Released	2001-08-01
Method	X-RAY DIFFRACTION 2.28 Å
Organisms	Pseudomonas putida
Macromolecule	4-OXALOCROTONATE TAUTOMERASE (protein)
Unique Ligands	SO4

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5TBM \| pdb_00005tbm	Download File View File

Crystal structure of PT2385 bound to HIF2a-B:ARNT-B complex

Du, X.

(2016) Cancer Res 76: 5491-5500

Released	2016-09-21
Method	X-RAY DIFFRACTION 1.85 Å
Organisms	Homo sapiens
Macromolecule	Aryl hydrocarbon receptor nuclear translocator (protein) Endothelial PAS domain-containing protein 1 (protein)
Unique Ligands	79A