8QVH
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Bifunctional epoxide hydrolase 2 | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
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8QVK
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
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8QVL
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, Bifunctional epoxide hydrolase 2, DIMETHYL SULFOXIDE, ... | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
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8QVM
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
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8QWG
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-19 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
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8QWI
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, Bifunctional epoxide hydrolase 2, SULFATE ION | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-19 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 2024
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4I7T
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1AQN
| SUBTILISIN MUTANT 8324 | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SUBTILISIN 8324, ... | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | Deposit date: | 1997-07-31 | Release date: | 1998-01-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Large increases in general stabilityfor subtilisin BPN' through incremental changes in the free energy of unfolding To be published
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4GUI
| 1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate | Descriptor: | (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase, NICKEL (II) ION | Authors: | Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-08-29 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation. Biochemistry, 53, 2014
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1B2Z
| DELETION OF A BURIED SALT BRIDGE IN BARNASE | Descriptor: | PROTEIN (BARNASE), ZINC ION | Authors: | Vaughan, C.K, Harryson, P, Buckle, A.M, Oliveberg, M, Fersht, A.R. | Deposit date: | 1998-12-03 | Release date: | 1998-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase. Acta Crystallogr.,Sect.D, 58, 2002
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3RKZ
| Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model. | Descriptor: | (5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Zapf, C.W, Bloom, J.D, Li, Z, Dushin, R.G, Nittoli, T, Otteng, M, Nikitenko, A, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Olland, A, Johnson, M, Levin, J.I. | Deposit date: | 2011-04-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5693 Å) | Cite: | Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model. Bioorg.Med.Chem.Lett., 21, 2011
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3T3Z
| Human Cytochrome P450 2E1 in complex with pilocarpine | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Meneely, K.M, DeVore, N.M, Scott, E.E. | Deposit date: | 2011-07-25 | Release date: | 2011-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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5T82
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5T7D
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175L
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5TY8
| Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-18 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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1AL2
| P1/MAHONEY POLIOVIRUS, SINGLE SITE MUTANT V1160I | Descriptor: | MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE | Authors: | Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M. | Deposit date: | 1997-06-09 | Release date: | 1997-11-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural studies of poliovirus mutants that overcome receptor defects. Nat.Struct.Biol., 4, 1997
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5TZL
| Structure of transthyretin in complex with the kinetic stabilizer 201 | Descriptor: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin | Authors: | Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M. | Deposit date: | 2016-11-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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169L
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3SE8
| Crystal structure of broadly and potently neutralizing antibody VRC03 in complex with HIV-1 gp120 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kwong, P.D, Zhou, T. | Deposit date: | 2011-06-10 | Release date: | 2011-08-10 | Last modified: | 2021-04-07 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing. Science, 333, 2011
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8TKQ
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4FNH
| Crystal structure of IsdI-W66Y in complex with heme | Descriptor: | Heme-degrading monooxygenase isdI, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ukpabi, G.N, Murphy, M.E.P. | Deposit date: | 2012-06-19 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inactivation of the heme degrading enzyme IsdI by an active site substitution that diminishes heme ruffling. J.Biol.Chem., 287, 2012
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1BNJ
| BARNASE WILDTYPE STRUCTURE AT PH 9.0 | Descriptor: | BARNASE | Authors: | Cameron, A, Henrick, K, Fersht, A.R, Dodson, G, Buckle, A.M. | Deposit date: | 1995-05-17 | Release date: | 1995-09-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structural analysis of mutations in the hydrophobic cores of barnase. J.Mol.Biol., 234, 1993
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1BNR
| BARNASE | Descriptor: | BARNASE (G SPECIFIC ENDONUCLEASE) | Authors: | Bycroft, M. | Deposit date: | 1995-03-31 | Release date: | 1995-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Determination of the three-dimensional solution structure of barnase using nuclear magnetic resonance spectroscopy. Biochemistry, 30, 1991
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1BRK
| BARNASE MUTANT WITH ILE 96 REPLACED BY ALA | Descriptor: | BARNASE, ZINC ION | Authors: | Cramer, P.C, Buckle, A, Fersht, A. | Deposit date: | 1995-03-09 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and energetic responses to cavity-creating mutations in hydrophobic cores: observation of a buried water molecule and the hydrophilic nature of such hydrophobic cavities. Biochemistry, 35, 1996
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