5AHI
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![BU of 5ahi by Molmil](/molmil-images/mine/5ahi) | Crystal structure of salmonalla enterica HisA mutant D7N with ProFAR | Descriptor: | 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENE AMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, CHLORIDE ION, GLYCEROL, ... | Authors: | Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M. | Deposit date: | 2015-02-06 | Release date: | 2016-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structure and Mechanism of Hisa from Salmonella Enterica To be Published
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6PM7
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6B15
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![BU of 6b15 by Molmil](/molmil-images/mine/6b15) | Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K | Descriptor: | 1,2-ETHANEDIOL, Amy13K | Authors: | Cockburn, D.W, Wawrzak, Z, Perez Medina, K, Koropatkin, N.M. | Deposit date: | 2017-09-16 | Release date: | 2017-11-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel carbohydrate binding modules in the surface anchored alpha-amylase of Eubacterium rectale provide a molecular rationale for the range of starches used by this organism in the human gut. Mol. Microbiol., 107, 2018
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7TQR
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6N0M
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5ADB
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![BU of 5adb by Molmil](/molmil-images/mine/5adb) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl) quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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8DB1
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![BU of 8db1 by Molmil](/molmil-images/mine/8db1) | Crystal structure of native DMATS1 prenyltransferase | Descriptor: | Dimethylallyltryptophan synthase 1, TRYPTOPHAN | Authors: | Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. | Deposit date: | 2022-06-14 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi . Biochemistry, 61, 2022
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6PMY
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![BU of 6pmy by Molmil](/molmil-images/mine/6pmy) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2019-07-02 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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7P4P
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6PN9
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![BU of 6pn9 by Molmil](/molmil-images/mine/6pn9) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2019-07-02 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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5A2O
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7U69
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5A36
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![BU of 5a36 by Molmil](/molmil-images/mine/5a36) | Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle. | Descriptor: | ALPHA-ACTININ-2 | Authors: | Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M. | Deposit date: | 2015-05-27 | Release date: | 2016-06-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation. Biochem.J., 473, 2016
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5ACV
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![BU of 5acv by Molmil](/molmil-images/mine/5acv) | VIM-2-OX, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening | Descriptor: | BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ... | Authors: | Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S. | Deposit date: | 2015-08-18 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.963 Å) | Cite: | Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening J.Med.Chem., 58, 2015
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7U3M
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7U6A
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6PMP
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5AED
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![BU of 5aed by Molmil](/molmil-images/mine/5aed) | A bacterial protein structure in glycoside hydrolase family 31 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-GLUCOSIDASE YIHQ, CALCIUM ION | Authors: | Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. | Deposit date: | 2015-08-28 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol., 12, 2016
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7P6V
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![BU of 7p6v by Molmil](/molmil-images/mine/7p6v) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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8DYH
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![BU of 8dyh by Molmil](/molmil-images/mine/8dyh) | IL17A homodimer bound to Compound 6 | Descriptor: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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7TLX
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![BU of 7tlx by Molmil](/molmil-images/mine/7tlx) | Crystal Structure of cytochrome c from Pseudomonas putida S16 | Descriptor: | C-type cytochrome, HEME C | Authors: | Wu, K, Dulchavsky, M, Stull, F, Bardwell, J.C.A. | Deposit date: | 2022-01-19 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase. J.Biol.Chem., 298, 2022
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7TOK
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![BU of 7tok by Molmil](/molmil-images/mine/7tok) | Crystal structure of the CBM domain of carbohydrate esterase FjoAcXE | Descriptor: | Acetylxylan esterase I | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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6PO5
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![BU of 6po5 by Molmil](/molmil-images/mine/6po5) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2019-07-03 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6VES
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![BU of 6ves by Molmil](/molmil-images/mine/6ves) | Human insulin analog: [GluB10,HisA8,ArgA9]-DOI | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X. | Deposit date: | 2020-01-02 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mini-Ins: A Minimal, Bioactive Insulin Analog with Alternative Binding Modes To Be Published
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6PPV
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