6XT3
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8RAI
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![BU of 8rai by Molmil](/molmil-images/mine/8rai) | Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I complexed with phenylhydrazine | 分子名称: | Aminotransferase class IV, GLYCEROL, [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate | 著者 | Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y, Boyko, K.M. | 登録日 | 2023-12-01 | 公開日 | 2023-12-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Multifunctionality of arginine residues in the active sites of non-canonical d-amino acid transaminases. Arch.Biochem.Biophys., 756, 2024
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5U5U
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![BU of 5u5u by Molmil](/molmil-images/mine/5u5u) | CcP gateless cavity | 分子名称: | ISONICOTINAMIDINE, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7ZV7
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5U5Y
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![BU of 5u5y by Molmil](/molmil-images/mine/5u5y) | CcP gateless cavity | 分子名称: | 2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8QDD
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![BU of 8qdd by Molmil](/molmil-images/mine/8qdd) | Structure of mBaoJin at pH 8.5 | 分子名称: | CHLORIDE ION, SULFATE ION, mBaoJin | 著者 | Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. | 登録日 | 2023-08-28 | 公開日 | 2023-12-27 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Bright and stable monomeric green fluorescent protein derived from StayGold. Nat.Methods, 21, 2024
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7K7U
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6ET1
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5U60
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![BU of 5u60 by Molmil](/molmil-images/mine/5u60) | CcP gateless cavity | 分子名称: | (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6J2B
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![BU of 6j2b by Molmil](/molmil-images/mine/6j2b) | CTX-M-64 beta-lactamase S130T sulbactam complex | 分子名称: | Beta-lactamase, GLYCEROL, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | 著者 | Cheng, Q, Chen, S. | 登録日 | 2018-12-31 | 公開日 | 2019-10-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution. Acs Infect Dis., 6, 2020
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7PO6
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![BU of 7po6 by Molmil](/molmil-images/mine/7po6) | Xist (m6A)UCG tetraloop RNA bound to the YTH domain of YTHDC1 | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, Isoform 2 of YTH domain-containing protein 1, ... | 著者 | Jones, A.N, Mourao, A, Sattler, M. | 登録日 | 2021-09-08 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structural effects of m6A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1. Nucleic Acids Res., 50, 2022
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5U72
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7JXB
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![BU of 7jxb by Molmil](/molmil-images/mine/7jxb) | The crystal structure of 4-(3'-methoxyphenyl)benzoic acid-bound CYP199A4 | 分子名称: | 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CHLORIDE ION, Cytochrome P450, ... | 著者 | Doherty, D.Z, Bell, S.G, Bruning, J. | 登録日 | 2020-08-27 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.655 Å) | 主引用文献 | Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
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6PAQ
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7PTZ
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![BU of 7ptz by Molmil](/molmil-images/mine/7ptz) | High resolution X-ray structure of E. coli expressed Lentinus similis LPMO. | 分子名称: | Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION | 著者 | Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J.O, Hernandez-Rollan, C, Norholm, H.H.M, Johansen, K.S, Lo Leggio, L. | 登録日 | 2021-09-27 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.093 Å) | 主引用文献 | Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases. Biomolecules, 12, 2022
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6AV2
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![BU of 6av2 by Molmil](/molmil-images/mine/6av2) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)phenethyl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-09-01 | 公開日 | 2018-07-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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6EUI
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![BU of 6eui by Molmil](/molmil-images/mine/6eui) | The GH43, Beta 1,3 Galactosidase, BT3683 with galactose | 分子名称: | Beta-glucanase, CALCIUM ION, beta-D-galactopyranose | 著者 | Cartmell, A, Gilbert, H.J. | 登録日 | 2017-10-30 | 公開日 | 2018-10-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation. Nat Microbiol, 3, 2018
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6PB9
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5F0C
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![BU of 5f0c by Molmil](/molmil-images/mine/5f0c) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 4 at 1.87A resolution | 分子名称: | 3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide, HTH-type transcriptional regulator EthR, SULFATE ION | 著者 | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | 登録日 | 2015-11-27 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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6JAR
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![BU of 6jar by Molmil](/molmil-images/mine/6jar) | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein R49A in complex with maltose | 分子名称: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | 著者 | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | 登録日 | 2019-01-24 | 公開日 | 2019-10-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter. Febs J., 287, 2020
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6AW9
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![BU of 6aw9 by Molmil](/molmil-images/mine/6aw9) | 2.55A resolution structure of SAH bound catechol O-methyltransferase (COMT) L136M from Nannospalax galili | 分子名称: | CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | 登録日 | 2017-09-05 | 公開日 | 2018-09-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution To be published
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8QFO
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![BU of 8qfo by Molmil](/molmil-images/mine/8qfo) | Ergothioneine dioxygenase, variant Y149F, from Thermocatellispora tengchongensis in complex with manganese | 分子名称: | ACETATE ION, Cysteine dioxygenase, DI(HYDROXYETHYL)ETHER, ... | 著者 | Vasseur, C.M, Seebeck, F.P. | 登録日 | 2023-09-04 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Enzyme-Catalyzed Oxidative Degradation of Ergothioneine. Angew.Chem.Int.Ed.Engl., 63, 2024
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5TZI
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![BU of 5tzi by Molmil](/molmil-images/mine/5tzi) | Crystal structure of S. aureus TarS 1-349 | 分子名称: | Glycosyl transferase | 著者 | Worrall, L.J, Sobhanifar, S, King, D.T, Strynadka, N.C. | 登録日 | 2016-11-21 | 公開日 | 2017-01-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance. PLoS Pathog., 12, 2016
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6EX3
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6BFS
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![BU of 6bfs by Molmil](/molmil-images/mine/6bfs) | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies | 分子名称: | Fab Heavy Chain, Fab light Chain, Granulocyte-macrophage colony-stimulating factor | 著者 | Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | 登録日 | 2017-10-26 | 公開日 | 2018-09-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities. MAbs, 10, 2018
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