6XK0
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![BU of 6xk0 by Molmil](/molmil-images/mine/6xk0) | Albumin-dexamethasone complex | Descriptor: | Albumin, CITRATE ANION, DEXAMETHASONE, ... | Authors: | Czub, M.P, Majorek, K.A, Shabalin, I.G, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2020-06-24 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy. Iucrj, 7, 2020
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6E5Z
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6MDQ
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![BU of 6mdq by Molmil](/molmil-images/mine/6mdq) | Crystal structure of equine serum albumin in complex with testosterone | Descriptor: | CITRATE ANION, Serum albumin, TESTOSTERONE | Authors: | Czub, M.P, Majorek, K.A, Shabalin, I.G, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-05 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Testosterone meets albumin - the molecular mechanism of sex hormone transport by serum albumins. Chem Sci, 10, 2019
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6S0V
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![BU of 6s0v by Molmil](/molmil-images/mine/6s0v) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, neamine and sulfate | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Kanamycin B dioxygenase, NICKEL (II) ION, ... | Authors: | Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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6S0S
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![BU of 6s0s by Molmil](/molmil-images/mine/6s0s) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, ribostamycin B and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, Kanamycin B dioxygenase, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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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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6S0T
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![BU of 6s0t by Molmil](/molmil-images/mine/6s0t) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide | Descriptor: | IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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6G81
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![BU of 6g81 by Molmil](/molmil-images/mine/6g81) | Solution structure of the Ni metallochaperone HypA from Helicobacter pylori | Descriptor: | Hydrogenase maturation factor HypA, ZINC ION | Authors: | Spronk, C.A.E.M, Zerko, S, Gorka, M, Kozminski, W, Bardiaux, B, Zambelli, B, Musiani, F, Piccioli, M, Hu, H, Maroney, M, Ciurli, S. | Deposit date: | 2018-04-07 | Release date: | 2018-10-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools. J. Biol. Inorg. Chem., 23, 2018
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6S0R
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![BU of 6s0r by Molmil](/molmil-images/mine/6s0r) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus complex with nickel, sulfate and chloride | Descriptor: | CHLORIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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6S0W
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![BU of 6s0w by Molmil](/molmil-images/mine/6s0w) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, Kanamycin B dioxygenase, ... | Authors: | Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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6S0U
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![BU of 6s0u by Molmil](/molmil-images/mine/6s0u) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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8EW4
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![BU of 8ew4 by Molmil](/molmil-images/mine/8ew4) | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1 | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | Authors: | Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-21 | Release date: | 2022-11-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
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8EY5
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![BU of 8ey5 by Molmil](/molmil-images/mine/8ey5) | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3 | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | Authors: | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-26 | Release date: | 2022-11-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
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8EW7
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![BU of 8ew7 by Molmil](/molmil-images/mine/8ew7) | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 2 | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | Authors: | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-21 | Release date: | 2022-11-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
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4WJZ
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![BU of 4wjz by Molmil](/molmil-images/mine/4wjz) | Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG)(G141A) from Vibrio cholerae | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, PHOSPHATE ION | Authors: | Hou, J, Zheng, H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-01 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 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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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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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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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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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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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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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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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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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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6U5Z
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![BU of 6u5z by Molmil](/molmil-images/mine/6u5z) | |
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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