4H31
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![BU of 4h31 by Molmil](/molmil-images/mine/4h31) | Crystal structure of anabolic ornithine carbamoyltransferase from Vibrio vulnificus in complex with carbamoyl phosphate and L-norvaline | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shabalin, I.G, Winsor, J, Grimshaw, S, Osinski, T, Chordia, M.D, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-09-13 | Release date: | 2012-09-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural studies of ornithine carbamoyltransferase from various pathogens To be Published
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5UNN
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![BU of 5unn by Molmil](/molmil-images/mine/5unn) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in apo form | Descriptor: | CHLORIDE ION, GLYCEROL, NADPH-dependent glyoxylate/hydroxypyruvate reductase | Authors: | Shabalin, I.G, LaRowe, C, Kutner, J, Gasiorowska, O.A, Handing, K.B, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-01-31 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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5V6Q
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![BU of 5v6q by Molmil](/molmil-images/mine/5v6q) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADP and malonate | Descriptor: | MALONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent glyoxylate/hydroxypyruvate reductase, ... | Authors: | Shabalin, I.G, Handing, K.B, Miezaniec, A.P, Gasiorowska, O.A, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-03-17 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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5V0S
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![BU of 5v0s by Molmil](/molmil-images/mine/5v0s) | Crystal structure of the ACT domain of prephenate dehydrogenase tyrA from Bacillus anthracis | Descriptor: | CALCIUM ION, Prephenate dehydrogenase, SULFATE ION | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Otwinowski, Z, Kwon, K, Christendat, D, Gritsunov, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-28 | Release date: | 2017-03-08 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain. Febs J., 287, 2020
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5V72
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![BU of 5v72 by Molmil](/molmil-images/mine/5v72) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with citrate | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-03-17 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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5UOG
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![BU of 5uog by Molmil](/molmil-images/mine/5uog) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in apo form | Descriptor: | NADPH-dependent glyoxylate/hydroxypyruvate reductase, SULFATE ION | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-01-31 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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5V7G
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![BU of 5v7g by Molmil](/molmil-images/mine/5v7g) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADPH and oxalate | Descriptor: | CHLORIDE ION, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Shabalin, I.G, Mason, D.V, Handing, K.B, Kutner, J, Matelska, D, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-03-20 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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5UYY
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![BU of 5uyy by Molmil](/molmil-images/mine/5uyy) | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine | Descriptor: | Prephenate dehydrogenase, TYROSINE | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-24 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain. Febs J., 287, 2020
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5V7N
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![BU of 5v7n by Molmil](/molmil-images/mine/5v7n) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADP and 2-Keto-D-gluconic acid | Descriptor: | 2-keto-D-gluconic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shabalin, I.G, Handing, K.B, Miks, C.D, Kutner, J, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-03-20 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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4YEN
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![BU of 4yen by Molmil](/molmil-images/mine/4yen) | Room temperature X-ray diffraction studies of cisplatin binding to HEWL in DMSO media after 14 months of crystal storage - new refinement | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2015-02-24 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
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4YEO
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![BU of 4yeo by Molmil](/molmil-images/mine/4yeo) | Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ... | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2015-02-24 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
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4YDX
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![BU of 4ydx by Molmil](/molmil-images/mine/4ydx) | Crystal structure of cisplatin bound to a human copper chaperone (monomer) - new refinement | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, Copper transport protein ATOX1, PLATINUM (II) ION, ... | Authors: | Shabalin, I.G, Boal, A.K, Dauter, Z, Jaskolski, M, Minor, W, Rosenzweig, A.C, Wlodawer, A. | Deposit date: | 2015-02-23 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
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4YEA
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![BU of 4yea by Molmil](/molmil-images/mine/4yea) | Crystal structure of cisplatin bound to a human copper chaperone (dimer) - new refinement | Descriptor: | COPPER (II) ION, Copper transport protein ATOX1, SULFATE ION | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2015-02-23 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
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4YEM
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![BU of 4yem by Molmil](/molmil-images/mine/4yem) | Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement | Descriptor: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2015-02-24 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
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4WJI
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![BU of 4wji by Molmil](/molmil-images/mine/4wji) | Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP and tyrosine | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Shabalin, I.G, Cooper, D.R, Hou, J, Zimmerman, M.D, Stead, M, Hillerich, B.S, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-30 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP to be published
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4YYC
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![BU of 4yyc by Molmil](/molmil-images/mine/4yyc) | Crystal structure of trimethylamine methyltransferase from Sinorhizobium meliloti in complex with unknown ligand | Descriptor: | CHLORIDE ION, Putative trimethylamine methyltransferase, UNKNOWN LIGAND | Authors: | Shabalin, I.G, Porebski, P.J, Gasiorowska, O.A, Handing, K.B, Niedzialkowska, E, Cymborowski, M.T, Cooper, D.R, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-03-23 | Release date: | 2015-04-08 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Protein purification and crystallization artifacts: The tale usually not told. Protein Sci., 25, 2016
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4ZOT
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![BU of 4zot by Molmil](/molmil-images/mine/4zot) | Crystal structure of BbKI, a disulfide-free plasma kallikrein inhibitor at 1.4 A resolution | Descriptor: | Kunitz-type serine protease inhibitor BbKI | Authors: | Shabalin, I.G, Zhou, D, Wlodawer, A, Oliva, M.L.V. | Deposit date: | 2015-05-06 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of BbKI, a disulfide-free plasma kallikrein inhibitor. Acta Crystallogr.,Sect.F, 71, 2015
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2GSD
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![BU of 2gsd by Molmil](/molmil-images/mine/2gsd) | NAD-dependent formate dehydrogenase from bacterium Moraxella sp.C2 in complex with NAD and azide | Descriptor: | AZIDE ION, NAD-dependent formate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Filippova, E.V, Polyakov, K.M, Tikhonova, T.V, Sadykhov, I.G, Shabalin, I.G, Tishkov, V.I, Popov, V.O. | Deposit date: | 2006-04-26 | Release date: | 2006-05-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the apo and holo forms of formate dehydrogenase from the bacterium Moraxella sp. C-1: towards understanding the mechanism of the closure of the interdomain cleft. Acta Crystallogr.,Sect.D, 65, 2009
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4ZQB
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![BU of 4zqb by Molmil](/molmil-images/mine/4zqb) | Crystal structure of NADP-dependent dehydrogenase from Rhodobactersphaeroides in complex with NADP and sulfate | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-05-08 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of NADP-dependent dehydrogenase from Rhodobactersphaeroides in complex with NADP and sulfate to be published
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4PMJ
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![BU of 4pmj by Molmil](/molmil-images/mine/4pmj) | Crystal structure of a putative oxidoreductase from Sinorhizobium meliloti 1021 in complex with NADP | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative oxidoreductase | Authors: | Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Szlachta, K, Zimmerman, M.D, Hillerich, B.S, Gizzi, A, Toro, R, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-05-21 | Release date: | 2014-06-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a putative oxidoreductase from Sinorhizobiummeliloti 1021 in complex with NADP to be published
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6M8Z
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![BU of 6m8z by Molmil](/molmil-images/mine/6m8z) | Crystal structure of human DJ-1 without a modification on Cys-106 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Shumilin, I.A, Shabalin, I.G, Shumilina, S.V, Werenskjold, C, Utepbergenov, D, Minor, W. | Deposit date: | 2018-08-22 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1. Biochem. Biophys. Res. Commun., 504, 2018
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4H73
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![BU of 4h73 by Molmil](/molmil-images/mine/4h73) | Thermostable aldehyde dehydrogenase from Pyrobaculum sp. complexed with NADP+ | Descriptor: | Aldehyde dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICKEL (II) ION | Authors: | Petrova, T, Shabalin, I.G, Bezsudnova, E.Y, Boyko, K.M, Mardanov, A.V, Gumerov, V.M, Ravin, N.V, Popov, V.O. | Deposit date: | 2012-09-20 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Thermostable aldehyde dehydrogenase from Pyrobaculum sp. complexed with NADP+ To be Published
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3JTM
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![BU of 3jtm by Molmil](/molmil-images/mine/3jtm) | Structure of recombinant formate dehydrogenase from Arabidopsis thaliana | Descriptor: | AZIDE ION, Formate dehydrogenase, mitochondrial, ... | Authors: | Timofeev, V.I, Shabalin, I.G, Serov, A.E, Polyakov, K.M, Popov, V.O, Tishkov, V.I, Kuranova, I.P, Samigina, V.R. | Deposit date: | 2009-09-13 | Release date: | 2010-09-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of recombinant formate dehydrogenase from Arabidopsis thaliana to be published
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5W8W
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![BU of 5w8w by Molmil](/molmil-images/mine/5w8w) | Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement | Descriptor: | Metallo-beta-lactamase type 2, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Gonzalez, J.M, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Wlodawer, A, Gonzalez, M.M, Vila, A.J. | Deposit date: | 2017-06-22 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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6EX7
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![BU of 6ex7 by Molmil](/molmil-images/mine/6ex7) | Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ... | Authors: | Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A. | Deposit date: | 2017-11-07 | Release date: | 2017-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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