5N5G
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5N5I
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![BU of 5n5i by Molmil](/molmil-images/mine/5n5i) | Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Salimraj, R, Hinchliffe, P, Spencer, J. | Deposit date: | 2017-02-14 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases. FEBS J., 286, 2019
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5NDB
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![BU of 5ndb by Molmil](/molmil-images/mine/5ndb) | Crystal structure of metallo-beta-lactamase SPM-1 complexed with cyclobutanone inhibitor | Descriptor: | (1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase IMP-1, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2017-03-08 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis. Chemistry, 24, 2018
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5EV6
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![BU of 5ev6 by Molmil](/molmil-images/mine/5ev6) | Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase IMP-1, ... | Authors: | Spencer, J, Hinchliffe, P. | Deposit date: | 2015-11-19 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EVK
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![BU of 5evk by Molmil](/molmil-images/mine/5evk) | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319 | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.627 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EVB
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![BU of 5evb by Molmil](/molmil-images/mine/5evb) | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-CS319 | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EW0
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![BU of 5ew0 by Molmil](/molmil-images/mine/5ew0) | Crystal structure of the metallo-beta-lactamase Sfh-I in complex with the bisthiazolidine inhibitor L-CS319 | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase, ZINC ION | Authors: | Hinchliffe, P, Tooke, C.L, Spencer, J. | Deposit date: | 2015-11-20 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EVD
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![BU of 5evd by Molmil](/molmil-images/mine/5evd) | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-VC26 | Descriptor: | (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EV8
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![BU of 5ev8 by Molmil](/molmil-images/mine/5ev8) | Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319 | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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5AAE
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![BU of 5aae by Molmil](/molmil-images/mine/5aae) | Aurora A kinase bound to an imidazopyridine inhibitor (14d) | Descriptor: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole, AURORA KINASE A | Authors: | McIntyre, P.J, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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5AAG
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![BU of 5aag by Molmil](/molmil-images/mine/5aag) | Aurora A kinase bound to an imidazopyridine inhibitor (14b) | Descriptor: | AURORA KINASE A, [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone | Authors: | McIntyre, P.J, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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5AAF
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![BU of 5aaf by Molmil](/molmil-images/mine/5aaf) | Aurora A kinase bound to an imidazopyridine inhibitor (14a) | Descriptor: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A | Authors: | McIntyre, P.J, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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6ION
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![BU of 6ion by Molmil](/molmil-images/mine/6ion) | The complex of C4.4A with its antibody 11H10 Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ly6/PLAUR domain-containing protein 3, ... | Authors: | Huang, M.D, Jiang, Y.B, Yuan, C, Lin, L. | Deposit date: | 2018-10-30 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structures of Human C4.4A Reveal the Unique Association of Ly6/uPAR/alpha-neurotoxin Domain Int J Biol Sci, 16, 2020
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6IOM
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![BU of 6iom by Molmil](/molmil-images/mine/6iom) | Crystal structure of human C4.4A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ly6/PLAUR domain-containing protein 3 | Authors: | Huang, M.D, Jiang, Y.B, Yuan, C, Lin, L. | Deposit date: | 2018-10-30 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.594 Å) | Cite: | Crystal Structures of Human C4.4A Reveal the Unique Association of Ly6/uPAR/alpha-neurotoxin Domain Int J Biol Sci, 16, 2020
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2WK3
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6HRO
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![BU of 6hro by Molmil](/molmil-images/mine/6hro) | Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118a | Descriptor: | 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ren, J, Zhao, Y, Stuart, D.I. | Deposit date: | 2018-09-27 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library. J.Med.Chem., 62, 2019
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6HS4
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![BU of 6hs4 by Molmil](/molmil-images/mine/6hs4) | Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118 | Descriptor: | 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ren, J, Zhao, Y, Stuart, D.I. | Deposit date: | 2018-09-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library. J.Med.Chem., 62, 2019
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3CWW
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![BU of 3cww by Molmil](/molmil-images/mine/3cww) | Crystal Structure of IDE-bradykinin complex | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ACETATE ION, Insulin-degrading enzyme, ... | Authors: | Malito, E, Tang, W.J. | Deposit date: | 2008-04-23 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Molecular Bases for the Recognition of Short Peptide Substrates and Cysteine-Directed Modifications of Human Insulin-Degrading Enzyme Biochemistry, 47, 2008
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4NQ6
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![BU of 4nq6 by Molmil](/molmil-images/mine/4nq6) | Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319 | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ... | Authors: | Gonzalez, J.M, Gonzalez, M.M, Vila, A.J. | Deposit date: | 2013-11-23 | Release date: | 2014-11-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5NDE
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1F37
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![BU of 1f37 by Molmil](/molmil-images/mine/1f37) | STRUCTURE OF A THIOREDOXIN-LIKE [2FE-2S] FERREDOXIN FROM AQUIFEX AEOLICUS | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S], GLYCEROL | Authors: | Yeh, A.P, Chatelet, C, Soltis, S.M, Kuhn, P, Meyer, J, Rees, D.C. | Deposit date: | 2000-05-31 | Release date: | 2000-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus. J.Mol.Biol., 300, 2000
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1LWN
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![BU of 1lwn by Molmil](/molmil-images/mine/1lwn) | Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential hypoglycaemic drug at 2.0 A resolution | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose, glycogen phosphorylase | Authors: | Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M, Leonidas, D.D. | Deposit date: | 2002-06-01 | Release date: | 2002-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of rabbit muscle glycogen phosphorylase a in complex with a potential hypoglycaemic drug at 2.0 A resolution BIOCHEM.BIOPHYS.ACTA PROTEINS & PROTEOMICS, 1647, 2003
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