4L8Z
| Crystal structure of Human Hsp90 with RL1 | Descriptor: | Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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5JQ3
| Crystal structure of Ebola glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ... | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | Deposit date: | 2016-05-04 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein. Nature, 535, 2016
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5JQB
| Crystal structure of Ebola glycoprotein in complex with ibuprofen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ... | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | Deposit date: | 2016-05-04 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein. Nature, 535, 2016
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4AB6
| Regulatory domain structure of NMB2055 (MetR), C103S C106S mutant, a LysR family regulator from N. meningitidis | Descriptor: | SULFATE ION, TRANSCRIPTIONAL REGULATOR, LYSR FAMILY | Authors: | Sainsbury, S, Ren, J, Saunders, N.J, Stuart, D.I, Owens, R.J. | Deposit date: | 2011-12-07 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Regulatory Domain of the Lysr Family Regulator Nmb2055 (Metr-Like Protein) from Neisseria Meningitidis Acta Crystallogr.,Sect.F, 68, 2012
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5JQ7
| Crystal structure of Ebola glycoprotein in complex with toremifene | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, ... | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | Deposit date: | 2016-05-04 | Release date: | 2016-06-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein. Nature, 535, 2016
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4AB5
| Regulatory domain structure of NMB2055 (MetR) a LysR family regulator from N. meningitidis | Descriptor: | TRANSCRIPTIONAL REGULATOR, LYSR FAMILY | Authors: | Sainsbury, S, Ren, J, Saunders, N.J, Stuart, D.I, Owens, R.J. | Deposit date: | 2011-12-07 | Release date: | 2012-07-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of the Regulatory Domain of the Lysr Family Regulator Nmb2055 (Metr-Like Protein) from Neisseria Meningitidis Acta Crystallogr.,Sect.F, 68, 2012
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1C1B
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186 | Descriptor: | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | Authors: | Hopkins, A.L, Ren, J, Tanaka, H, Baba, B, Okamato, M, Stuart, D.I, Stammers, D.K. | Deposit date: | 1999-07-21 | Release date: | 2000-07-21 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants. J.Med.Chem., 42, 1999
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4L90
| Crystal structure of Human Hsp90 with RL3 | Descriptor: | Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structure of Human Hsp90 with RL3 to be published
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4OEW
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | Deposit date: | 2014-01-14 | Release date: | 2015-04-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
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4OEX
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | Deposit date: | 2014-01-14 | Release date: | 2015-04-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
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1C1C
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123 | Descriptor: | 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | Authors: | Hopkins, A.L, Ren, J, Tanaka, H, Baba, M, Okamato, M, Stuart, D.I, Stammers, D.K. | Deposit date: | 1999-07-21 | Release date: | 2000-07-21 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants. J.Med.Chem., 42, 1999
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4L93
| Crystal structure of Human Hsp90 with S36 | Descriptor: | 3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Crystal structure of Human Hsp90 with S36 To be Published
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1MA1
| Structure and properties of the atypical iron superoxide dismutase from Methanobacterium thermoautotrophicum | Descriptor: | FE (III) ION, superoxide dismutase | Authors: | Adams, J.J, Anderson, B.F, Renault, J.P, Verchere-Beaur, C, Morgenstern-Badarau, I, Jameson, G.B. | Deposit date: | 2002-07-31 | Release date: | 2002-08-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and properties of the atypical iron superoxide dismutase from Methanobacterium thermoautotrophicum To be published
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4KQQ
| CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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2BKA
| CC3(TIP30)Crystal Structure | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | El Omari, K, Bird, L.E, Nichols, C.E, Ren, J, Stammers, D.K. | Deposit date: | 2005-02-14 | Release date: | 2005-02-21 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Cc3 (Tip30): Implications for its Role as a Tumor Suppressor J.Biol.Chem., 280, 2005
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4KQR
| CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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3JB4
| Structure of Ljungan virus: insight into picornavirus packaging | Descriptor: | VP0, VP1, VP3 | Authors: | Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I. | Deposit date: | 2015-07-21 | Release date: | 2015-10-21 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of Ljungan virus provides insight into genome packaging of this picornavirus. Nat Commun, 6, 2015
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4KQO
| Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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1VJB
| crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | Deposit date: | 2004-02-03 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
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1TL1
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW451211 | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ... | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2004-06-09 | Release date: | 2004-12-07 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1. J.Med.Chem., 47, 2004
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2CCK
| CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE | Authors: | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-01-16 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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1TKT
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318 | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2004-06-09 | Release date: | 2004-12-07 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1. J.Med.Chem., 47, 2004
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2CCJ
| Crystal structure of S. aureus thymidylate kinase complexed with thymidine monophosphate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-01-16 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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8A2E
| Crystal Structure of Human Parechovirus 3 2A protein | Descriptor: | 2A protein, GLYCEROL, SULFATE ION | Authors: | von Castelmur, E, Zhu, L, wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural plasticity of 2A proteins in the Parechovirus family. To Be Published
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4I2X
| Crystal structure of Signal Regulatory Protein gamma (SIRP-gamma) in complex with FabOX117 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FabOX117 heavy chain, ... | Authors: | Nettleship, J.E, Ren, J, Stuart, D.I, Owens, R.J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2012-11-23 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structure of signal regulatory protein gamma (SIRP gamma) in complex with an antibody Fab fragment. Bmc Struct.Biol., 13, 2013
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