3CNI
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![BU of 3cni by Molmil](/molmil-images/mine/3cni) | Crystal structure of a domain of a putative ABC type-2 transporter from Thermotoga maritima MSB8 | Descriptor: | CALCIUM ION, Putative ABC type-2 transporter | Authors: | Filippova, E.V, Shumilin, I, Tkaczuk, K.L, Cymborowski, M, Chruszcz, M, Xu, X, Que, Q, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-03-25 | Release date: | 2008-04-08 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural characterization of the putative ABC-type 2 transporter from Thermotoga maritima MSB8. J.Struct.Funct.Genom., 15, 2014
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5BP7
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![BU of 5bp7 by Molmil](/molmil-images/mine/5bp7) | Crystal structure of SAM-dependent methyltransferase from Geobacter sulfurreducens in complex with S-Adenosyl-L-homocysteine | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase | Authors: | Kutner, J, Shabalin, I.G, Mason, D.V, Handing, K.B, Gasiorowska, O.A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-05-27 | Release date: | 2015-06-10 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of SAM-dependent methyltransferase from Geobacter sulfurreducens in complex with S-Adenosyl-L-homocysteine to be published
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5BQF
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![BU of 5bqf by Molmil](/molmil-images/mine/5bqf) | Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L(+)-tartaric acid | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Langner, K.M, Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Stead, M, Hillerich, B.S, Chowdhury, S, Hammonds, J, Zimmerman, M.D, Al Obaidi, N, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-05-29 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L-tartaric acid to be published
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5C5I
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![BU of 5c5i by Molmil](/molmil-images/mine/5c5i) | Crystal structure of NADP-dependent dehydrogenase from Rhodobacter sphaeroides | Descriptor: | NADP-dependent dehydrogenase | Authors: | Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Cymborowski, M, Al Obaidi, N.F, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-06-19 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of NADP-dependent dehydrogenase from Rhodobacter sphaeroides to be published
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5C7H
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![BU of 5c7h by Molmil](/molmil-images/mine/5c7h) | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 in complex with NADPH | Descriptor: | Aldo-keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Seidel, R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-06-24 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 in complex with NADPH to be published
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5C9G
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![BU of 5c9g by Molmil](/molmil-images/mine/5c9g) | Crystal Structure of a Putative enoyl-CoA hydratase/isomerase family protein from Hyphomonas neptunium | Descriptor: | D-MALATE, Enoyl-CoA hydratase/isomerase family protein, TETRAETHYLENE GLYCOL | Authors: | Szlachta, K, Cooper, D.R, Chapman, H.C, Cymbrowski, M.T, Stead, M, Hillerich, B.S, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, Hammonds, J, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-06-26 | Release date: | 2015-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of a Putative enoyl-CoA hydratase/isomerase family protein from Hyphomonas neptunium to be published
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5DQF
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![BU of 5dqf by Molmil](/molmil-images/mine/5dqf) | Horse Serum Albumin (ESA) in complex with Cetirizine | Descriptor: | (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, CHLORIDE ION, ... | Authors: | Handing, K.B, Shabalin, I.G, Majorek, K.A, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-09-14 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of equine serum albumin in complex with cetirizine reveals a novel drug binding site. Mol.Immunol., 71, 2016
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5BP9
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![BU of 5bp9 by Molmil](/molmil-images/mine/5bp9) | Crystal structure of SAM-dependent methyltransferase from Bacteroides fragilis in complex with S-Adenosyl-L-homocysteine | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Putative methyltransferase protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Cymborowski, M.T, Mason, D.V, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-05-27 | Release date: | 2015-06-10 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of SAM-dependent methyltransferase fromBacteroides fragilis in complex with S-Adenosyl-L-homocysteine to be published
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5BXY
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![BU of 5bxy by Molmil](/molmil-images/mine/5bxy) | Crystal structure of RNA methyltransferase from Salinibacter ruber in complex with S-Adenosyl-L-homocysteine | Descriptor: | CHLORIDE ION, MAGNESIUM ION, RNA methyltransferase, ... | Authors: | Handing, K.B, LaRowe, C, Shabalin, I.G, Stead, M, Hillerich, B.S, Ahmed, M, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-06-09 | Release date: | 2015-07-01 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of RNA methylase family protein from Salinibacterruber in complex with S-Adenosyl-L-homocysteine. to be published
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3OS6
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![BU of 3os6 by Molmil](/molmil-images/mine/3os6) | Crystal structure of putative 2,3-dihydroxybenzoate-specific isochorismate synthase, DhbC from Bacillus anthracis. | Descriptor: | GLYCEROL, Isochorismate synthase DhbC, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Domagalski, M.J, Chruszcz, M, Skarina, T, Onopriyenko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-09-08 | Release date: | 2010-10-20 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of isochorismate synthase DhbC from Bacillus anthracis. Acta Crystallogr.,Sect.F, 69, 2013
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3OP4
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![BU of 3op4 by Molmil](/molmil-images/mine/3op4) | Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with NADP+ | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hou, J, Chruszcz, M, Onopriyenko, O, Grimshaw, S, Porebski, P, Zheng, H, Savchenko, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-08-31 | Release date: | 2010-09-22 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae. J.Bacteriol., 198, 2015
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6U4X
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![BU of 6u4x by Molmil](/molmil-images/mine/6u4x) | Crystal structure of Equine Serum Albumin complex with ibuprofen | Descriptor: | IBUPROFEN, SULFATE ION, Serum albumin, ... | Authors: | Czub, M.P, Handing, K.B, Venkataramany, B.S, Steen, E.H, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-26 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 63, 2020
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4XK2
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![BU of 4xk2 by Molmil](/molmil-images/mine/4xk2) | Crystal structure of aldo-keto reductase from Polaromonas sp. JS666 | Descriptor: | Aldo/keto reductase, CHLORIDE ION, SODIUM ION | Authors: | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Sroka, P, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-01-09 | Release date: | 2015-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of aldo-keto reductase from Polaromonas sp. JS666 to be published
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4XAP
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![BU of 4xap by Molmil](/molmil-images/mine/4xap) | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 | Descriptor: | Aldo-keto reductase | Authors: | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-12-15 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 to be published
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4X9O
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![BU of 4x9o by Molmil](/molmil-images/mine/4x9o) | Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with octanoyl-CoA: conformational changes without clearly bound substrate | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2 | Authors: | Hou, J, Cooper, D.R, Shabalin, I.G, Grabowski, M, Shumilin, I, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-12-11 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae to be published
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3E4F
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![BU of 3e4f by Molmil](/molmil-images/mine/3e4f) | Crystal structure of BA2930- a putative aminoglycoside N3-acetyltransferase from Bacillus anthracis | Descriptor: | Aminoglycoside N3-acetyltransferase, CITRIC ACID | Authors: | Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-08-11 | Release date: | 2008-08-19 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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4XCV
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![BU of 4xcv by Molmil](/molmil-images/mine/4xcv) | Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, NADP-dependent 2-hydroxyacid dehydrogenase, ... | Authors: | Langner, K.M, Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Stead, M, Hillerich, B.S, Chowdhury, S, Hammonds, J, Zimmerman, M.D, Al Obadi, N, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-12-18 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH to be published
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6U4R
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![BU of 6u4r by Molmil](/molmil-images/mine/6u4r) | Crystal structure of Equine Serum Albumin complex with ketoprofen | Descriptor: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, SULFATE ION, Serum albumin, ... | Authors: | Czub, M.P, Handing, K.B, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-26 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 63, 2020
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4X9K
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![BU of 4x9k by Molmil](/molmil-images/mine/4x9k) | Beta-ketoacyl-acyl carrier protein synthase III-2 (FabH2)(C113A) from Vibrio cholerae | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, GLYCEROL, MALONATE ION, ... | Authors: | Hou, J, Chruszcz, M, Zheng, H, Grabowski, M, Chordia, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae to be published
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6U60
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![BU of 6u60 by Molmil](/molmil-images/mine/6u60) | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD and L-tyrosine | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Prephenate dehydrogenase, ... | Authors: | Shabalin, I.G, Hou, J, Kutner, J, Grimshaw, S, Christendat, D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-28 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 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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4XA8
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![BU of 4xa8 by Molmil](/molmil-images/mine/4xa8) | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2 | Descriptor: | D-isomer specific 2-hydroxyacid dehydrogenase NAD-binding | Authors: | Handing, K.B, Gasiorowska, O.A, Shabalin, I.G, Cymborowski, M.T, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-12-12 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2. to be published
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4XOX
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![BU of 4xox by Molmil](/molmil-images/mine/4xox) | Structure of beta-ketoacyl-ACP synthase I (FabB) from Vibrio Cholerae | Descriptor: | 3-oxoacyl-ACP synthase | Authors: | Hou, J, Grabowski, M, Cymborowski, M, Zheng, H, Cooper, D.R, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-01-16 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of beta-ketoacyl-ACP synthase I (FabB) from Vibrio Cholerae to be published
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6U5A
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![BU of 6u5a by Molmil](/molmil-images/mine/6u5a) | Crystal structure of Equine Serum Albumin complex with 6-MNA | Descriptor: | (6-methoxynaphthalen-2-yl)acetic acid, SULFATE ION, Serum albumin, ... | Authors: | Czub, M.P, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-27 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 63, 2020
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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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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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