1QQQ
| CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE | Descriptor: | SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T. | Deposit date: | 1999-06-07 | Release date: | 1999-06-14 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254. Mol.Pharmacol., 57, 2000
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3PSN
| Crystal structure of mouse VPS29 complexed with Mn2+ | Descriptor: | MANGANESE (II) ION, Vacuolar protein sorting-associated protein 29 | Authors: | Swarbrick, J, Shaw, D, Chhabra, S, Ghai, R, Valkov, E, Norwood, S, Collins, B. | Deposit date: | 2010-12-02 | Release date: | 2010-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational dynamics and biomolecular interactions of VPS29 studied by NMR and X-ray crystallography To be Published
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3PSO
| Crystal structure of mouse VPS29 complexed with Zn2+ | Descriptor: | Vacuolar protein sorting-associated protein 29, ZINC ION | Authors: | Swarbrick, J, Shaw, D, Chhabra, S, Ghai, R, Valkov, E, Norwood, S, Collins, B. | Deposit date: | 2010-12-02 | Release date: | 2010-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Conformational dynamics and biomolecular interactions of VPS29 studied by NMR and X-ray crystallography To be Published
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2C7D
| Fitted coordinates for GroEL-ADP7-GroES Cryo-EM complex (EMD-1181) | Descriptor: | 10 KDA CHAPERONIN MOLECULE: GROES, PROTEIN CPN10, GROES PROTEIN, ... | Authors: | Ranson, N.A, Clare, D.K, Farr, G.W, Houldershaw, D, Horwich, A.L, Saibil, H.R. | Deposit date: | 2005-11-22 | Release date: | 2006-01-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.7 Å) | Cite: | Allosteric Signalling of ATP Hydrolysis in Groel-Groes Complexes. Nat.Struct.Mol.Biol., 13, 2006
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2C7C
| FITTED COORDINATES FOR GROEL-ATP7-GROES CRYO-EM COMPLEX (EMD-1180) | Descriptor: | 10 KDA CHAPERONIN MOLECULE: GROES, PROTEIN CPN10, GROES PROTEIN, ... | Authors: | Ranson, N.A, Clare, D.K, Farr, G.W, Houldershaw, D, Horwich, A.L, Saibil, H.R. | Deposit date: | 2005-11-22 | Release date: | 2006-01-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Allosteric Signalling of ATP Hydrolysis in Groel-Groes Complexes. Nat.Struct.Mol.Biol., 13, 2006
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1E41
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1E3Y
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4W7P
| Crystal Structure of ROCK 1 bound to YB-15-QD37 | Descriptor: | N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine, Rho-associated protein kinase 1 | Authors: | Sprague, E.R. | Deposit date: | 2014-08-22 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. Bioorg.Med.Chem.Lett., 24, 2014
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3E7O
| Crystal Structure of JNK2 | Descriptor: | Mitogen-activated protein kinase 9, N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | Authors: | Kuglstatter, A, Villasenor, A.G. | Deposit date: | 2008-08-18 | Release date: | 2008-09-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | The crystal structure of JNK2 reveals conformational flexibility in the MAP kinase insert and indicates its involvement in the regulation of catalytic activity. J.Mol.Biol., 383, 2008
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3LH9
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3LH8
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3LHA
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3MJ2
| X-ray crystal structure of ITK complexed with inhibitor BMS-509744 | Descriptor: | N-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1S)-1,2,2-trimethylpropyl]amino}methyl)benzamide, Tyrosine-protein kinase ITK/TSK | Authors: | Kuglstatter, A, Villasenor, A.G. | Deposit date: | 2010-04-12 | Release date: | 2010-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation. Chem.Biol.Drug Des., 76, 2010
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3MJ1
| X-ray crystal structure of ITK complexed with inhibitor RO5191614 | Descriptor: | 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one, Tyrosine-protein kinase ITK/TSK | Authors: | Kuglstatter, A, Villasenor, A.G. | Deposit date: | 2010-04-12 | Release date: | 2010-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation. Chem.Biol.Drug Des., 76, 2010
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3MIY
| X-ray crystal structure of ITK complexed with sunitinib | Descriptor: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Tyrosine-protein kinase ITK/TSK | Authors: | Kuglstatter, A, Villasenor, A.G. | Deposit date: | 2010-04-12 | Release date: | 2010-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation. Chem.Biol.Drug Des., 76, 2010
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1HP3
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3PIZ
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3PJ3
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3PJ1
| Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | Descriptor: | 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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3PIY
| Crystal structure of BTK kinase domain complexed with R406 | Descriptor: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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3PIX
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3PJ2
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1G9P
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3NPC
| Crystal structure of JNK2 complexed with BIRB796 | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 9 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2010-06-28 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: Insights into the rational design of DFG-out binding MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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2OIB
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