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1K0S
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BU of 1k0s by Molmil
Solution structure of the chemotaxis protein CheW from the thermophilic organism Thermotoga maritima
Descriptor: CHEMOTAXIS PROTEIN CHEW
Authors:Griswold, I.J, Zhou, H, Swanson, R.V, Simon, M.I, Dahlquist, F.W.
Deposit date:2001-09-20
Release date:2002-02-06
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The solution structure and interactions of CheW from Thermotoga maritima.
Nat.Struct.Biol., 9, 2002
2NP8
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BU of 2np8 by Molmil
Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors
Descriptor: N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Tari, L.W, Hoffman, I.D, Bensen, D.C, Hunter, M.J, Nix, J, Nelson, K.J, McRee, D.E, Swanson, R.V.
Deposit date:2006-10-26
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3HFB
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BU of 3hfb by Molmil
Crystal structure of human tryoptophan hydroxylase type 1 with LP-534193
Descriptor: 4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Tari, L.W, Swanson, R.V, Hunter, M.J.
Deposit date:2009-05-11
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Mechanism of Inhibition of Novel Tryptophan Hydroxylase Inhibitors Revealed by Co-crystal Structures and Kinetic Analysis.
Curr Chem Genomics, 4, 2010
3HF6
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BU of 3hf6 by Molmil
Crystal structure of human tryptophan hydroxylase type 1 with bound LP-521834 and FE
Descriptor: 4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Tari, L.W, Swanson, R.V, Hunter, M.J.
Deposit date:2009-05-11
Release date:2009-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Inhibition of Novel Tryptophan Hydroxylase Inhibitors Revealed by Co-crystal Structures and Kinetic Analysis
Curr Chem Genomics, 4, 2010
3HF8
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BU of 3hf8 by Molmil
Crystal structure of human tryoptophan hydroxylase type 1 with bound LP-533401 and Fe
Descriptor: 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Tari, L.W, Swanson, R.V, Hunter, M.J.
Deposit date:2009-05-11
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of Inhibition of Novel Tryptophan Hydroxylase Inhibitors Revealed by Co-crystal Structures and Kinetic Analysis.
Curr Chem Genomics, 4, 2010
3IPY
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BU of 3ipy by Molmil
X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor
Descriptor: 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine, D-MALATE, Deoxycytidine kinase
Authors:Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G.
Deposit date:2009-08-18
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3IPX
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BU of 3ipx by Molmil
X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor
Descriptor: 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ...
Authors:Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G.
Deposit date:2009-08-18
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1RQJ
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BU of 1rqj by Molmil
Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyltranstransferase, ...
Authors:Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
Deposit date:2003-12-05
Release date:2004-03-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
1RTR
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BU of 1rtr by Molmil
Crystal Structure of S. Aureus Farnesyl Pyrophosphate Synthase
Descriptor: geranyltranstransferase
Authors:Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
Deposit date:2003-12-10
Release date:2004-03-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Mol.Biol., 279, 2004
1T69
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BU of 1t69 by Molmil
Crystal Structure of human HDAC8 complexed with SAHA
Descriptor: Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC ION
Authors:Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1T67
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BU of 1t67 by Molmil
Crystal Structure of Human HDAC8 complexed with MS-344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ...
Authors:Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1T64
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BU of 1t64 by Molmil
Crystal Structure of human HDAC8 complexed with Trichostatin A
Descriptor: CALCIUM ION, Histone deacetylase 8, SODIUM ION, ...
Authors:Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1VKG
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BU of 1vkg by Molmil
Crystal Structure of Human HDAC8 complexed with CRA-19156
Descriptor: 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ...
Authors:Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
Deposit date:2004-05-13
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1MP8
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BU of 1mp8 by Molmil
Crystal structure of Focal Adhesion Kinase (FAK)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, focal adhesion kinase 1
Authors:Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C.G, Pavletich, N.P, Rodgers, J, Sang, B.-C, Scheibe, D.N, Swanson, R.V, Thompson, D.A.
Deposit date:2002-09-11
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of the cancer-related Aurora-A, FAK, and EphA2 protein kinases from nanovolume crystallography
Structure, 10, 2002
1MQ4
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BU of 1mq4 by Molmil
Crystal Structure of Aurora-A Protein Kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AURORA-RELATED KINASE 1, MAGNESIUM ION, ...
Authors:Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C, Pavletich, N.P, Rodgers, J, Sang, B.-C, Scheibe, D.N, Swanson, R.V, Thompson, D.A.
Deposit date:2002-09-13
Release date:2003-09-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the Cancer-Related Aurora-A, FAK and EphA2 Protein Kinases from Nanovolume Crystallography
Structure, 10, 2002
1MQB
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BU of 1mqb by Molmil
Crystal Structure of Ephrin A2 (ephA2) Receptor Protein Kinase
Descriptor: Ephrin type-A receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C, Pavletich, N, Rogers, J, Sang, B.C, Scheibe, D.N, Swanson, R.V, Thompson, D.A.
Deposit date:2002-09-16
Release date:2003-09-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the Cancer Related Aurora-A, FAK and EphA2 Protein Kinases from Nanovolume Crystallography
Structure, 10, 2003
1P3D
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BU of 1p3d by Molmil
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) in Complex with UMA and ANP.
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UDP-N-acetylmuramate--alanine ligase, ...
Authors:Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V.
Deposit date:2003-04-17
Release date:2003-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
1P31
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BU of 1p31 by Molmil
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine Ligase (MurC) from Haemophilus influenzae
Descriptor: MAGNESIUM ION, UDP-N-acetylmuramate--alanine ligase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
Authors:Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V.
Deposit date:2003-04-16
Release date:2003-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
1P74
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BU of 1p74 by Molmil
CRYSTAL STRUCTURE OF SHIKIMATE DEHYDROGENASE (AROE) FROM HAEMOPHILUS INFLUENZAE
Descriptor: Shikimate 5-dehydrogenase
Authors:Ye, S, von Delft, F, Brooun, A, Knuth, M.W, Swanson, R.V, McRee, D.E.
Deposit date:2003-04-30
Release date:2003-08-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of shikimate dehydrogenase (AroE) reveals a unique NADPH binding mode
J.Bacteriol., 185, 2003
1P77
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BU of 1p77 by Molmil
CRYSTAL STRUCTURE OF SHIKIMATE DEHYDROGENASE (AROE) FROM HAEMOPHILUS INFLUENZAE
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ACETATE ION, Shikimate 5-dehydrogenase
Authors:Ye, S, von Delft, F, Brooun, A, Knuth, M.W, Swanson, R.V, McRee, D.E.
Deposit date:2003-04-30
Release date:2003-08-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of shikimate dehydrogenase (AroE) reveals a unique NADPH binding mode
J.Bacteriol., 185, 2003
1QVB
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BU of 1qvb by Molmil
CRYSTAL STRUCTURE OF THE BETA-GLYCOSIDASE FROM THE HYPERTHERMOPHILE THERMOSPHAERA AGGREGANS
Descriptor: BETA-GLYCOSIDASE
Authors:Chi, Y.-I, Martinez-Cruz, L.A, Swanson, R.V, Robertson, D.E, Kim, S.-H.
Deposit date:1999-07-07
Release date:1999-07-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the beta-glycosidase from the hyperthermophile Thermosphaera aggregans: insights into its activity and thermostability.
FEBS Lett., 445, 1999
1RQI
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BU of 1rqi by Molmil
Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Dimethylallyl S-Thiolodiphosphate
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, DIPHOSPHATE, Geranyltranstransferase, ...
Authors:Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
Deposit date:2003-12-05
Release date:2004-03-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
3L5X
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BU of 3l5x by Molmil
Crystal structure of the complex between IL-13 and H2L6 FAB
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, H2L6 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
3L5W
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Crystal structure of the complex between IL-13 and C836 FAB
Descriptor: C836 HEAVY CHAIN, C836 LIGHT CHAIN, GLYCEROL, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
3L7F
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Structure of IL-13 antibody H2L6, A humanized variant OF C836
Descriptor: CALCIUM ION, H2L6 HEAVY CHAIN, H2L6 LIGHT CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-28
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010

 

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