6JGG
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![BU of 6jgg by Molmil](/molmil-images/mine/6jgg) | Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 2-thio-beta-sophoroside. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | 登録日 | 2019-02-14 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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8QY0
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![BU of 8qy0 by Molmil](/molmil-images/mine/8qy0) | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylotriose | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, ZINC ION, ... | 著者 | Chikunova, A, Saberi, M, Ubbink, M. | 登録日 | 2023-10-25 | 公開日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Bimodal substrate binding in the active site of the glycosidase BcX Febs J., 2024
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7PX5
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![BU of 7px5 by Molmil](/molmil-images/mine/7px5) | ATAD2 in complex with 1-Methyl-2-quinolone | 分子名称: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ... | 著者 | Martin, M.P, Noble, M.E.N. | 登録日 | 2021-10-07 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Exiting the tunnel of uncertainty: crystal soak to validated hit. Acta Crystallogr D Struct Biol, 78, 2022
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8A24
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6FBP
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![BU of 6fbp by Molmil](/molmil-images/mine/6fbp) | Human Methionine Adenosyltransferase II mutant (S114A) in P22121 crystal form | 分子名称: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | 登録日 | 2017-12-19 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
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5UKW
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6POY
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![BU of 6poy by Molmil](/molmil-images/mine/6poy) | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine, ... | 著者 | Chreifi, G, Li, H, Poulos, T.L. | 登録日 | 2019-07-05 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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6JIM
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![BU of 6jim by Molmil](/molmil-images/mine/6jim) | Viral helicase protein | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM ION, CHLORIDE ION, ... | 著者 | Law, Y.S. | 登録日 | 2019-02-22 | 公開日 | 2019-04-10 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural insights into RNA recognition by the Chikungunya virus nsP2 helicase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6FBZ
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8QY1
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![BU of 8qy1 by Molmil](/molmil-images/mine/8qy1) | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylohexaose | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ... | 著者 | Chikunova, A, Saberi, M, Ubbink, M. | 登録日 | 2023-10-25 | 公開日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Bimodal substrate binding in the active site of the glycosidase BcX Febs J., 2024
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6POT
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![BU of 6pot by Molmil](/molmil-images/mine/6pot) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine, GLYCEROL, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-05 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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7ZZX
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7KG7
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![BU of 7kg7 by Molmil](/molmil-images/mine/7kg7) | Structure of human PARG complexed with PARG-292 | 分子名称: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ... | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | 登録日 | 2020-10-16 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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8A25
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![BU of 8a25 by Molmil](/molmil-images/mine/8a25) | Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with PEG fragment | 分子名称: | (R,R)-2,3-BUTANEDIOL, IODIDE ION, Lysophospholipase A, ... | 著者 | Diwo, M.G, Blankenfeldt, W. | 登録日 | 2022-06-02 | 公開日 | 2023-06-14 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA. Mol.Microbiol., 121, 2024
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7PSK
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![BU of 7psk by Molmil](/molmil-images/mine/7psk) | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor GR109 | 分子名称: | 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | 著者 | Armstrong, Z, Wu, L, Davies, G.J. | 登録日 | 2021-09-23 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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6PP0
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![BU of 6pp0 by Molmil](/molmil-images/mine/6pp0) | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-05 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | 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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7PYC
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![BU of 7pyc by Molmil](/molmil-images/mine/7pyc) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Aminopyridine | 分子名称: | 2-AMINOPYRIDINE, Cholinephosphate cytidylyltransferase, Guanidinium | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-09 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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6ET4
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![BU of 6et4 by Molmil](/molmil-images/mine/6et4) | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR | 分子名称: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ... | 著者 | Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S. | 登録日 | 2017-10-25 | 公開日 | 2018-03-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage. Nat Commun, 9, 2018
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7PRB
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![BU of 7prb by Molmil](/molmil-images/mine/7prb) | Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor GR109 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein | 著者 | Wu, L, Armstrong, Z, Davies, G.J. | 登録日 | 2021-09-21 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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6EVP
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![BU of 6evp by Molmil](/molmil-images/mine/6evp) | Crystal structure the peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase complexed with Pro-Pro-Gly-Pro-Glu-Gly-Pro-Pro-Gly. | 分子名称: | DIMETHYL SULFOXIDE, PRO-PRO-GLY-PRO-GLU-GLY-PRO-PRO-GLY, Prolyl 4-hydroxylase subunit alpha-2, ... | 著者 | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | 登録日 | 2017-11-02 | 公開日 | 2018-09-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif. Protein Sci., 27, 2018
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8A2G
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![BU of 8a2g by Molmil](/molmil-images/mine/8a2g) | Crystal structure of Sebokelevirus 2A2 protein | 分子名称: | 1,2-ETHANEDIOL, 2A2 protein, TETRAETHYLENE GLYCOL | 著者 | Zhu, L, Von Castelmur, E, Whang, X, Ren, J, Fry, E, Perrakis, A, Stuart, D.I. | 登録日 | 2022-06-03 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structural plasticity of 2A proteins in the Parechovirus family to be published
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5UIA
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![BU of 5uia by Molmil](/molmil-images/mine/5uia) | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium | 分子名称: | (2S)-2,3-dihydroxy-3-methylbutanoic acid, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | 登録日 | 2017-01-13 | 公開日 | 2017-02-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium To be published
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7PSI
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![BU of 7psi by Molmil](/molmil-images/mine/7psi) | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor ME727 | 分子名称: | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase, SULFATE ION | 著者 | Armstrong, Z, Wu, L, Davies, G.J. | 登録日 | 2021-09-23 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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6IXP
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![BU of 6ixp by Molmil](/molmil-images/mine/6ixp) | Structure of Myo2-GTD in complex with Mmr1 | 分子名称: | Mitochondrial MYO2 receptor-related protein 1, Myosin-2 | 著者 | Tang, K, Wei, Z. | 登録日 | 2018-12-11 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.733 Å) | 主引用文献 | Structural mechanism for versatile cargo recognition by the yeast class V myosin Myo2. J.Biol.Chem., 294, 2019
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8A26
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![BU of 8a26 by Molmil](/molmil-images/mine/8a26) | Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with palmitate | 分子名称: | (R,R)-2,3-BUTANEDIOL, Lysophospholipase A, MALONIC ACID, ... | 著者 | Diwo, M.G, Blankenfeldt, W. | 登録日 | 2022-06-02 | 公開日 | 2023-06-14 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA. Mol.Microbiol., 121, 2024
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