3G5I
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![BU of 3g5i by Molmil](/molmil-images/mine/3g5i) | Crystal Structure of the E.coli RihA pyrimidine nucleosidase bound to a iminoribitol-based inhibitor | Descriptor: | (2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | Authors: | Garau, G, Muzzolini, L, Tornaghi, P, Degano, M. | Deposit date: | 2009-02-05 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Active site plasticity revealed from the structure of the enterobacterial N-ribohydrolase RihA bound to a competitive inhibitor. Bmc Struct.Biol., 10, 2010
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1X8H
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![BU of 1x8h by Molmil](/molmil-images/mine/1x8h) | |
1X8I
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![BU of 1x8i by Molmil](/molmil-images/mine/1x8i) | Crystal Structure of the Zinc Carbapenemase CphA in Complex with the Antibiotic Biapenem | Descriptor: | 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM, 6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, ... | Authors: | Garau, G, Dideberg, O. | Deposit date: | 2004-08-18 | Release date: | 2004-12-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem J.Mol.Biol., 345, 2005
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1X8G
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![BU of 1x8g by Molmil](/molmil-images/mine/1x8g) | |
8P96
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![BU of 8p96 by Molmil](/molmil-images/mine/8p96) | TARGET COMPLEX 3 | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ... | Authors: | Garau, G. | Deposit date: | 2023-06-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | TARGET COMPLEX 2 To Be Published
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8P90
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![BU of 8p90 by Molmil](/molmil-images/mine/8p90) | TARGET COMPLEX 2 | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ... | Authors: | Garau, G. | Deposit date: | 2023-06-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | TARGET COMPLEX 2 To Be Published
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8PC4
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![BU of 8pc4 by Molmil](/molmil-images/mine/8pc4) | MEMBRANE TARGET COMPLEX 1 | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, ... | Authors: | Garau, G. | Deposit date: | 2023-06-09 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | MEMBRANE TARGET COMPLEX 1 To Be Published
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1HH7
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![BU of 1hh7 by Molmil](/molmil-images/mine/1hh7) | |
1WRA
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![BU of 1wra by Molmil](/molmil-images/mine/1wra) | |
2FPH
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![BU of 2fph by Molmil](/molmil-images/mine/2fph) | |
2QDT
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![BU of 2qdt by Molmil](/molmil-images/mine/2qdt) | |
6FLL
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![BU of 6fll by Molmil](/molmil-images/mine/6fll) | |
1I8O
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![BU of 1i8o by Molmil](/molmil-images/mine/1i8o) | |
1I8P
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![BU of 1i8p by Molmil](/molmil-images/mine/1i8p) | |
2QDS
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![BU of 2qds by Molmil](/molmil-images/mine/2qds) | |
4QN9
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![BU of 4qn9 by Molmil](/molmil-images/mine/4qn9) | Structure of human NAPE-PLD | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ... | Authors: | Garau, G. | Deposit date: | 2014-06-17 | Release date: | 2015-06-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.652 Å) | Cite: | Structure of human N-acylphosphatidylethanolamine-hydrolyzing phospholipase D: regulation of fatty acid ethanolamide biosynthesis by bile acids. Structure, 23, 2015
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7O2V
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![BU of 7o2v by Molmil](/molmil-images/mine/7o2v) | AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8 | Descriptor: | 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A | Authors: | Garau, G. | Deposit date: | 2021-03-31 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile. Eur.J.Med.Chem., 226, 2021
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4DO3
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![BU of 4do3 by Molmil](/molmil-images/mine/4do3) | Structure of FAAH with a non-steroidal anti-inflammatory drug | Descriptor: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, CHLORIDE ION, CYCLOHEXANE AMINOCARBOXYLIC ACID, ... | Authors: | Garau, G. | Deposit date: | 2012-02-09 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A Binding Site for Nonsteroidal Anti-inflammatory Drugs in Fatty Acid Amide Hydrolase. J.Am.Chem.Soc., 135, 2013
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2GKL
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![BU of 2gkl by Molmil](/molmil-images/mine/2gkl) | Crystal structure of the zinc carbapenemase CPHA in complex with the inhibitor pyridine-2,4-dicarboxylate | Descriptor: | Beta-lactamase, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | Authors: | Garau, G, Dideberg, O. | Deposit date: | 2006-04-03 | Release date: | 2007-03-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Competitive Inhibitors of the CphA Metallo-{beta}-Lactamase from Aeromonas hydrophila Antimicrob.Agents Chemother., 51, 2007
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6HU5
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![BU of 6hu5 by Molmil](/molmil-images/mine/6hu5) | |
6HT2
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![BU of 6ht2 by Molmil](/molmil-images/mine/6ht2) | |
3MKM
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![BU of 3mkm by Molmil](/molmil-images/mine/3mkm) | Crystal structure of the E. coli pyrimidine nucleoside hydrolase YeiK (Apo-form) | Descriptor: | CALCIUM ION, Putative uncharacterized protein YeiK | Authors: | Garau, G, Fornili, A, Giabbai, B, Degano, M. | Deposit date: | 2010-04-15 | Release date: | 2010-12-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Energy Landscapes Associated with Macromolecular Conformational Changes from Endpoint Structures J.Am.Chem.Soc., 132, 2010
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3MKN
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![BU of 3mkn by Molmil](/molmil-images/mine/3mkn) | Crystal structure of the E. coli pyrimidine nucleosidase YeiK bound to a competitive inhibitor | Descriptor: | (2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol, CALCIUM ION, Putative uncharacterized protein YeiK | Authors: | Garau, G, Fornili, A, Giabbai, B, Degano, M. | Deposit date: | 2010-04-15 | Release date: | 2010-12-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Energy Landscapes Associated with Macromolecular Conformational Changes from Endpoint Structures J.Am.Chem.Soc., 132, 2010
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2H9W
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![BU of 2h9w by Molmil](/molmil-images/mine/2h9w) | |
2O2B
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![BU of 2o2b by Molmil](/molmil-images/mine/2o2b) | |