1RIR
| Crystal structure of meso-tetrasulphonatophenylporphyrin in complex with Peanut lectin. | Descriptor: | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE, CALCIUM ION, Galactose-binding lectin, ... | Authors: | Goel, M, Kaur, K.J, Maiya, B.G, Swamy, M.J, Salunke, D.M. | Deposit date: | 2003-11-17 | Release date: | 2004-12-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of the PNA-porphyrin complex in the presence and absence of lactose: mapping the conformational changes on lactose binding, interacting surfaces, and supramolecular aggregations. Biochemistry, 44, 2005
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1S1X
| Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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1S1V
| Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651 | Descriptor: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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1S1U
| Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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1S1W
| Crystal structure of V106A mutant HIV-1 reverse transcriptase in complex with UC-781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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1JKH
| CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-12 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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1JYJ
| Crystal Structure of a Double Variant (W67L/W91H) of Recombinant Human Serum Retinol-binding Protein at 2.0 A Resolution | Descriptor: | GLYCEROL, PLASMA RETINOL-BINDING PROTEIN | Authors: | Greene, L.H, Chrysina, E.D, Irons, L.I, Papageorgiou, A.C, Acharya, K.R, Brew, K. | Deposit date: | 2001-09-12 | Release date: | 2003-07-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of Conserved Residues in Structure and Stability: Tryptophans of Human Serum Retinol-Binding Protein, a Model for the Lipocalin Superfamily Protein Sci., 10, 2001
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1JLG
| CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 RT A-chain, HIV-1 RT B-chain | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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6CN5
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6CN6
| RORC2 LBD complexed with compound 34 | Descriptor: | 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma | Authors: | Kauppi, B, Vajdos, F. | Deposit date: | 2018-03-07 | Release date: | 2018-09-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist. J. Med. Chem., 61, 2018
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3DDQ
| Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine | Descriptor: | Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ... | Authors: | Echalier, A, Endicott, J.A. | Deposit date: | 2008-06-06 | Release date: | 2008-07-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases. Oncogene, 27, 2008
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1KGJ
| Rat transthyretin (also called prealbumin) complex with 3',5'-dibromoflavone (EMD21388) | Descriptor: | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE, TRANSTHYRETIN | Authors: | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | Deposit date: | 2001-11-27 | Release date: | 2002-11-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Comparison of binding interactions of dibromoflavonoids with transthyretin. Acta Biochim.Pol., 48, 2001
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1JLB
| CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT A-chain, HIV-1 RT B-chain | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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1JLF
| CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT A-chain, HIV-1 RT B-chain | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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1JLA
| CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-651 | Descriptor: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 RT A-chain, HIV-1 RT B-chain | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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1JLE
| CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE | Descriptor: | HIV-1 RT, A-CHAIN, B-CHAIN | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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1JYD
| Crystal Structure of Recombinant Human Serum Retinol-Binding Protein at 1.7 A Resolution | Descriptor: | GLYCEROL, PLASMA RETINOL-BINDING PROTEIN | Authors: | Greene, L.H, Chrysina, E.D, Irons, L.I, Papageorgiou, A.C, Acharya, K.R, Brew, K. | Deposit date: | 2001-09-12 | Release date: | 2003-07-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Role of conserved residues in structure and stability: Tryptophans of human serum
retinol-binding protein, a model for the lipocalin superfamily Protein Sci., 10, 2001
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1JLC
| CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 | Descriptor: | HIV-1 RT A-chain, HIV-1 RT B-chain, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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3CAA
| CLEAVED ANTICHYMOTRYPSIN A347R | Descriptor: | ANTICHYMOTRYPSIN | Authors: | Lukacs, C.M, Christianson, D.W. | Deposit date: | 1997-08-18 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction. Biochemistry, 37, 1998
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4UHX
| Human aldehyde oxidase in complex with phthalazine and thioridazine | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ALDEHYDE OXIDASE, ... | Authors: | Coelho, C, Romao, M.J, Santos-Silva, T. | Deposit date: | 2015-03-26 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Insights Into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase Nat.Chem.Biol., 11, 2015
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1TUD
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1TUC
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1VZM
| OSTEOCALCIN FROM FISH ARGYROSOMUS REGIUS | Descriptor: | MAGNESIUM ION, OSTEOCALCIN | Authors: | Frazao, C, Simes, D.C, Coelho, R, Alves, D, Williamson, M.K, Price, P.A, Cancela, M.L, Carrondo, M.A. | Deposit date: | 2004-05-21 | Release date: | 2004-09-10 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Evidence of a Fourth Gla Residue in Fish Osteocalcin: Biological Implications Biochemistry, 44, 2005
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2RHS
| PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ... | Authors: | Evdokimov, A.G, Mekel, M. | Deposit date: | 2007-10-09 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus. J.Struct.Biol., 162, 2008
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2RHQ
| PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ... | Authors: | Evdokimov, A.G, Mekel, M. | Deposit date: | 2007-10-09 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus. J.Struct.Biol., 162, 2008
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