2WI7
| Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
|
|
2WI2
| Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
|
|
2WI4
| Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
|
|
2ZJV
| Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Clothianidin | Descriptor: | 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine, Acetylcholine-binding protein | Authors: | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Morimoto, T, Matsuda, K. | Deposit date: | 2008-03-10 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin Invert.Neurosci., 8, 2008
|
|
1TUF
| Crystal structure of Diaminopimelate Decarboxylase from m. jannaschi | Descriptor: | AZELAIC ACID, Diaminopimelate decarboxylase | Authors: | Rajashankar, K, Ray, S.R, Bonanno, J.B, Pinho, M.G, He, G, De Lencastre, H, Tomasz, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-06-24 | Release date: | 2004-07-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cocrystal structures of diaminopimelate decarboxylase: mechanism, evolution, and inhibition of an antibiotic resistance accessory factor Structure, 10, 2002
|
|
1TVF
| Crystal Structure of penicillin-binding protein 4 (PBP4) from Staphylococcus aureus | Descriptor: | SULFATE ION, UNKNOWN LIGAND, penicillin binding protein 4 | Authors: | Rajashankar, K.R, Ray, S.S, Bonanno, J.B, Pinho, M, Tomasz, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-06-29 | Release date: | 2004-07-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of penicillin-binding protein 4 (PBP4) from Staphylococcus aureus To be Published
|
|
1ZZA
| Solution NMR Structure of the Membrane Protein Stannin | Descriptor: | Stannin | Authors: | Buck-Koehntop, B.A, Mascioni, A, Buffy, J.J, Veglia, G. | Deposit date: | 2005-06-13 | Release date: | 2005-12-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure, dynamics, and membrane topology of stannin: a mediator of neuronal cell apoptosis induced by trimethyltin chloride. J.Mol.Biol., 354, 2005
|
|
1UUX
| Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism | Descriptor: | COPPER (I) ION, FORMIC ACID, IMIDAZOLE, ... | Authors: | Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G. | Deposit date: | 2004-01-12 | Release date: | 2004-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism Nature, 430, 2004
|
|
1QF0
| THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-PHE-TYR. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | Descriptor: | (2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | Deposit date: | 1999-04-06 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases. Biochemistry, 38, 1999
|
|
1TWI
| Crystal structure of Diaminopimelate Decarboxylase from m. jannaschii in co-complex with L-lysine | Descriptor: | Diaminopimelate decarboxylase, LYSINE, MAGNESIUM ION, ... | Authors: | Rajashankar, K.R, Ray, S.S, Bonanno, J.B, Pinho, M.G, He, G, De Lencastre, H, Tomasz, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-07-01 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cocrystal structures of diaminopimelate decarboxylase: mechanism, evolution, and inhibition of an antibiotic resistance accessory factor Structure, 10, 2002
|
|
1QF1
| THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYLHEPTANOYL)-PHE-ALA. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, PROTEIN (THERMOLYSIN), ... | Authors: | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | Deposit date: | 1999-04-06 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases. Biochemistry, 38, 1999
|
|
1QF2
| THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-GLY-(5-PHENYLPROLINE). PARAMETERS FOR ZN-MONODENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, PROTEIN (THERMOLYSIN), ... | Authors: | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | Deposit date: | 1999-04-06 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases. Biochemistry, 38, 1999
|
|
1UUY
| Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism | Descriptor: | ADENOSINE MONOPHOSPHATE, COPPER (I) ION, FORMIC ACID, ... | Authors: | Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G. | Deposit date: | 2004-01-12 | Release date: | 2004-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism Nature, 430, 2004
|
|
1SOJ
| CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, cGMP-inhibited 3',5'-cyclic phosphodiesterase B | Authors: | Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R. | Deposit date: | 2004-03-15 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity Biochemistry, 43, 2004
|
|
1SO2
| CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B In COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR | Descriptor: | 1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL, 6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE, MAGNESIUM ION, ... | Authors: | Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R. | Deposit date: | 2004-03-12 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity Biochemistry, 43, 2004
|
|
2AE1
| TROPINONE REDUCTASE-II | Descriptor: | TROPINONE REDUCTASE-II | Authors: | Nakajima, K, Yamashita, A, Akama, H, Nakatsu, T, Kato, H, Hashimoto, T, Oda, J, Yamada, Y. | Deposit date: | 1997-10-27 | Release date: | 1998-11-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of two tropinone reductases: different reaction stereospecificities in the same protein fold. Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
1HKU
| CtBP/BARS: a dual-function protein involved in transcription corepression and Golgi membrane fission | Descriptor: | C-TERMINAL BINDING PROTEIN 3, FORMIC ACID, GLYCEROL, ... | Authors: | Nardini, M, Spano, S, Cericola, C, Pesce, A, Massaro, A, Millo, E, Luini, A, Corda, D, Bolognesi, M. | Deposit date: | 2003-03-11 | Release date: | 2003-06-19 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ctbp/Bars: A Dual-Function Protein Involved in Transcription Co-Repression and Golgi Membrane Fission Embo J., 22, 2003
|
|
1IO0
| CRYSTAL STRUCTURE OF TROPOMODULIN C-TERMINAL HALF | Descriptor: | TROPOMODULIN, ZINC ION | Authors: | Krieger, I, Kostyukova, A, Yamashita, A, Maeda, Y. | Deposit date: | 2000-12-14 | Release date: | 2002-11-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of the C-terminal half of tropomodulin and structural basis of actin filament pointed-end capping. Biophys.J., 83, 2002
|
|
4EOR
| Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102 | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
|
|
4EON
| Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
|
|
4EOL
| Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
|
|
4EOQ
| Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
|
|
2QEI
| Crystal structure analysis of LeuT complexed with L-alanine, sodium, and clomipramine | Descriptor: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, ALANINE, SODIUM ION, ... | Authors: | Singh, S.K, Yamashita, A, Gouaux, E. | Deposit date: | 2007-06-25 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Antidepressant binding site in a bacterial homologue of neurotransmitter transporters. Nature, 448, 2007
|
|
4EOM
| Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
|
|
4EOI
| Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
|
|