4LVC
 
 | | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine | | Descriptor: | ACETATE ION, ADENOSINE, AMMONIUM ION, ... | | Authors: | Manszewski, T, Singh, K, Imiolczyk, B, Jaskolski, M. | | Deposit date: | 2013-07-26 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii.
Acta Crystallogr.,Sect.D, 71, 2015
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6FE6
 | | Solution structure of a last generation P2-P4 macrocyclic inhibitor | | Descriptor: | (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide, Non-structural 3 protease, ZINC ION | | Authors: | Gallo, M, Eliseo, T, Cicero, D.O. | | Deposit date: | 2017-12-29 | | Release date: | 2019-01-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a last generation macrocyclic inhibitor. Hepatitis C virus NS3 protease complex: when S prime region occupancy is not enough to stabilize the protein conformation in the absence of NS4A.
To Be Published
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6R76
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6R77
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2ZPC
 | | Crystal structure of the R43L mutant of LolA in the closed form | | Descriptor: | Outer-membrane lipoprotein carrier protein | | Authors: | Takeda, K, Yokota, N, Oguchi, Y, Tokuda, H, Miki, K. | | Deposit date: | 2008-07-10 | | Release date: | 2008-08-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Opening and closing of the hydrophobic cavity of LolA coupled to lipoprotein binding and release.
J.Biol.Chem., 283, 2008
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2ZPD
 | | Crystal structure of the R43L mutant of LolA in the open form | | Descriptor: | Outer-membrane lipoprotein carrier protein | | Authors: | Takeda, K, Yokota, N, Oguchi, Y, Tokuda, H, Miki, K. | | Deposit date: | 2008-07-10 | | Release date: | 2008-08-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Opening and closing of the hydrophobic cavity of LolA coupled to lipoprotein binding and release.
J.Biol.Chem., 283, 2008
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4D2E
 | | Crystal structure of an integral membrane kinase - v2.3 | | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, CITRATE ANION, ... | | Authors: | Li, D, Boland, C, Caffrey, M. | | Deposit date: | 2014-05-09 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Cell-Free Expression and in Meso Crystallisation of an Integral Membrane Kinase for Structure Determination.
Cell.Mol.Life Sci., 71, 2014
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4M3L
 | | Crystal Structure of the coiled coil domain of MuRF1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, E3 ubiquitin-protein ligase TRIM63, ... | | Authors: | Mayans, O, Franke, B. | | Deposit date: | 2013-08-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis for the fold organization and sarcomeric targeting of the muscle atrogin MuRF1.
Open Biol, 4, 2014
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4LS5
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4LS8
 | | Crystal structure of Bacillus subtilis beta-ketoacyl-ACP synthase II (FabF) in a covalent complex with cerulenin | | Descriptor: | (3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | | Authors: | Trajtenberg, F, Larrieux, N, Buschiazzo, A. | | Deposit date: | 2013-07-22 | | Release date: | 2014-04-02 | | Last modified: | 2014-06-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into bacterial resistance to cerulenin.
Febs J., 281, 2014
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1G96
 | | HUMAN CYSTATIN C; DIMERIC FORM WITH 3D DOMAIN SWAPPING | | Descriptor: | CHLORIDE ION, CYSTATIN C, GLYCEROL | | Authors: | Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Grubb, A, Abrahamson, M, Jaskolski, M. | | Deposit date: | 2000-11-22 | | Release date: | 2001-04-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human cystatin C, an amyloidogenic protein, dimerizes through three-dimensional domain swapping.
Nat.Struct.Biol., 8, 2001
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4LS7
 | | Crystal structure of Bacillus subtilis beta-ketoacyl-ACP synthase II (FabF) in a non-covalent complex with cerulenin | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Cerulenin, GLYCEROL, ... | | Authors: | Trajtenberg, F, Larrieux, N, Buschiazzo, A. | | Deposit date: | 2013-07-22 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.674 Å) | | Cite: | Structural insights into bacterial resistance to cerulenin.
Febs J., 281, 2014
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3FZD
 | | Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro | | Descriptor: | 3C-like proteinase | | Authors: | Barrila, J, Gabelli, S, Bacha, U, Amzel, L.M, Freire, E. | | Deposit date: | 2009-01-25 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CL(pro) .
Biochemistry, 49, 2010
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4LS6
 | | Crystal structure of beta-ketoacyl-ACP synthase II (FabF) I108F mutant from Bacillus subtilis | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, GLYCEROL, ... | | Authors: | Trajtenberg, F, Larrieux, N, Buschiazzo, A. | | Deposit date: | 2013-07-22 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural insights into bacterial resistance to cerulenin.
Febs J., 281, 2014
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6LUT
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4BPD
 | | Structure determination of an integral membrane kinase | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, DIACYLGLYCEROL KINASE, ZINC ION | | Authors: | Li, D, Boland, C, Caffrey, M. | | Deposit date: | 2013-05-24 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Cell-Free Expression and in Meso Crystallisation of an Integral Membrane Kinase for Structure Determination.
Cell.Mol.Life Sci., 71, 2014
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5W4G
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2RSC
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5G0W
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | (2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide, ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, ... | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0U
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0T
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0V
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide, ... | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0S
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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1TMX
 | | Crystal structure of hydroxyquinol 1,2-dioxygenase from Nocardioides Simplex 3E | | Descriptor: | 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, BENZOIC ACID, CHLORIDE ION, ... | | Authors: | Ferraroni, M, Travkin, V.M, Seifert, J, Schlomann, M, Golovleva, L, Scozzafava, A, Briganti, F. | | Deposit date: | 2004-06-11 | | Release date: | 2005-03-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the hydroxyquinol 1,2-dioxygenase from Nocardioides simplex 3E, a key enzyme involved in polychlorinated aromatics biodegradation.
J.Biol.Chem., 280, 2005
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3FKK
 | | Structure of L-2-keto-3-deoxyarabonate dehydratase | | Descriptor: | L-2-keto-3-deoxyarabonate dehydratase, PHOSPHATE ION | | Authors: | Shimada, N, Mikami, B. | | Deposit date: | 2008-12-17 | | Release date: | 2010-01-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of L -2-keto-3-deoxyarabonate dehydratase an enzyme involved in an alternative bacterial pathway of L-arabinose metabolism in complex with pyruvate
To be Published
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