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PDB: 43 results

2QDS
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BU of 2qds by Molmil
Crystal Structure of the Zinc Carbapenemase CPHA in Complex with the Inhibitor D-Captopril
Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Beta-lactamase, GLYCEROL, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2007-06-21
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis for the broad-spectrum inhibition of metallo-beta-lactamases by thiols.
Org.Biomol.Chem., 6, 2008
1I8O
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BU of 1i8o by Molmil
RHODOPSEUDOMONAS PALUSTRIS CYT C2 AMMONIA COMPLEX AT 1.15 ANGSTROM RESOLUTION
Descriptor: AMMONIA, CYTOCHROME C2, HEME C, ...
Authors:Garau, G, Geremia, S.
Deposit date:2001-03-15
Release date:2001-04-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Cleavage of the iron-methionine bond in c-type cytochromes: crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex.
Protein Sci., 11, 2002
2QDT
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BU of 2qdt by Molmil
Structural Basis for the Broad-Spectrum Inhibition of Metallo-{Beta}-Lactamases: L1- IS38 Complex
Descriptor: Metallo-beta-lactamase L1, N-(3-MERCAPTOPROPANOYL)-D-ALANINE, SULFATE ION, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2007-06-21
Release date:2007-08-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the broad-spectrum inhibition of metallo-beta-lactamases by thiols.
Org.Biomol.Chem., 6, 2008
1I8P
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BU of 1i8p by Molmil
STRUCTURE DETERMINATION OF THE FERROCYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS
Descriptor: CYTOCHROME C2, HEME C
Authors:Garau, G, Geremia, S.
Deposit date:2001-03-15
Release date:2001-04-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cleavage of the iron-methionine bond in c-type cytochromes: crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex.
Protein Sci., 11, 2002
6FLL
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BU of 6fll by Molmil
SPECTROSCOPIC AND STRUCTURAL STUDY OF QW, A EGFP MUTANT SHOWING PHOTOSWITCHING PROPERTIES
Descriptor: Green fluorescent protein
Authors:Garau, G, Margheritis, E.
Deposit date:2018-01-26
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Role of Gln222 in Photoswitching of Aequorea Fluorescent Proteins: A Twisting and H-Bonding Affair?
Acs Chem.Biol., 13, 2018
3G5I
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BU of 3g5i by Molmil
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
6HU5
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BU of 6hu5 by Molmil
STRUCTURE OF HEWL BY ELECTRON DIFFRACTION AND MICROFOCUS DIFFRACTION
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Garau, G.
Deposit date:2018-10-05
Release date:2019-01-23
Last modified:2019-07-17
Method:ELECTRON CRYSTALLOGRAPHY (2.8 Å)
Cite:Nanobeam precession-assisted 3D electron diffraction reveals a new polymorph of hen egg-white lysozyme.
Iucrj, 6, 2019
8P96
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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
8P90
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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
8PC4
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BU of 8pc4 by Molmil
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
7O2V
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BU of 7o2v by Molmil
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
4QN9
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BU of 4qn9 by Molmil
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
4DO3
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BU of 4do3 by Molmil
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
1X8G
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BU of 1x8g by Molmil
Crystal Structure of the Mono-Zinc Carbapenemase CphA from Aeromonas Hydrophyla
Descriptor: Beta-lactamase, CARBONATE ION, SULFATE ION, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2004-08-18
Release date:2004-12-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 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
3MKM
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BU of 3mkm by Molmil
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
3MKN
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BU of 3mkn by Molmil
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
1HH7
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BU of 1hh7 by Molmil
REFINED CRYSTAL STRUCTURE OF CYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS AT 1.4 ANGSTROM RESOLUTION
Descriptor: AMMONIA, CYTOCHROME C2, HEME C, ...
Authors:Garau, G, Geremia, S.
Deposit date:2000-12-21
Release date:2001-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallization and Preliminary X-Ray Analysis of Two Ph-Dependent Forms of Cytochrome C2 from Rhodopseudomonas Palustris
Acta Crystallogr.,Sect.D, 56, 2000
1X8H
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BU of 1x8h by Molmil
The Mono-Zinc Carbapenemase CphA (N220G mutant) Shows a Zn(II)- NH2 ARG Coordination
Descriptor: Beta-lactamase, CARBONATE ION, GLYCEROL, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2004-08-18
Release date:2004-12-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 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
1X8I
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BU of 1x8i by Molmil
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
6HT2
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BU of 6ht2 by Molmil
STRUCTURE OF HEWL BY ELECTRON DIFFRACTION AND MICROFOCUS DIFFRACTION
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Garau, G.
Deposit date:2018-10-02
Release date:2019-01-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nanobeam precession-assisted 3D electron diffraction reveals a new polymorph of hen egg-white lysozyme.
Iucrj, 6, 2019
1WRA
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BU of 1wra by Molmil
Crystal Structure of Phosphorylcholine Esterase Domain of the Virulence Factor Choline Binding Protein E from Streptococcus Pneumoniae
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, FE (III) ION, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2004-10-13
Release date:2005-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of phosphorylcholine esterase domain of the virulence factor choline-binding protein e from streptococcus pneumoniae: new structural features among the metallo-beta-lactamase superfamily
J.Biol.Chem., 280, 2005
2O24
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BU of 2o24 by Molmil
Spectroscopic and Structural Study of the Heterotropic Linkage between Halide and Proton Ion Binding to Gfp Proteins: E2(GFP)-Cl Complex
Descriptor: CHLORIDE ION, Green fluorescent protein
Authors:Garau, G.
Deposit date:2006-11-29
Release date:2007-05-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Spectroscopic and Structural Study of Proton and Halide Ion Cooperative Binding to GFP.
Biophys.J., 93, 2007
2O29
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BU of 2o29 by Molmil
Spectroscopic and Structural Study of the Heterotropic Linkage between Halide and Proton Ion Binding to Gfp Proteins: E2(GFP)-BR Complex
Descriptor: BROMIDE ION, Green fluorescent protein
Authors:Garau, G.
Deposit date:2006-11-29
Release date:2007-05-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spectroscopic and Structural Study of Proton and Halide Ion Cooperative Binding to GFP.
Biophys.J., 93, 2007
2O2B
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BU of 2o2b by Molmil
Spectroscopic and Structural Study of the Heterotropic Linkage between Halide and Proton Ion Binding to Gfp Proteins: E2(GFP)-I Complex
Descriptor: Green fluorescent protein, IODIDE ION
Authors:Garau, G.
Deposit date:2006-11-29
Release date:2007-05-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Spectroscopic and Structural Study of Proton and Halide Ion Cooperative Binding to GFP.
Biophys.J., 93, 2007
2GKL
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BU of 2gkl by Molmil
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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