3DD5
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![BU of 3dd5 by Molmil](/molmil-images/mine/3dd5) | Glomerella cingulata E600-cutinase complex | 分子名称: | Cutinase, DIETHYL PHOSPHONATE | 著者 | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | 登録日 | 2008-06-05 | 公開日 | 2008-11-18 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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6XF7
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![BU of 6xf7 by Molmil](/molmil-images/mine/6xf7) | SLP | 分子名称: | Lambda 1 protein | 著者 | Sutton, G, Sun, D.P, Fu, X.F, Kotecha, A, Hecksel, G.W, Clare, D.K, Zhang, P, Stuart, D, Boyce, M. | 登録日 | 2020-06-15 | 公開日 | 2020-09-23 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (6.6 Å) | 主引用文献 | Assembly intermediates of orthoreovirus captured in the cell. Nat Commun, 11, 2020
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6E62
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![BU of 6e62 by Molmil](/molmil-images/mine/6e62) | Crystal structure of malaria transmission-blocking antigen Pfs48/45 6C in complex with antibody 85RF45.1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 85RF45.1 Fab heavy chain, 85RF45.1 Fab light chain, ... | 著者 | Kundu, P, Semesi, A, Julien, J.P. | 登録日 | 2018-07-23 | 公開日 | 2018-11-28 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural delineation of potent transmission-blocking epitope I on malaria antigen Pfs48/45. Nat Commun, 9, 2018
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6XL3
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![BU of 6xl3 by Molmil](/molmil-images/mine/6xl3) | Mastigocladopsis repens rhodopsin chloride pump | 分子名称: | CHLORIDE ION, DECANE, Mastigocladopsis repens rhodopsin chloride pump, ... | 著者 | Besaw, J.E, Ernst, O.P, Ou, W, Morizumi, T. | 登録日 | 2020-06-28 | 公開日 | 2020-07-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | The crystal structures of a chloride-pumping microbial rhodopsin and its proton-pumping mutant illuminate proton transfer determinants. J.Biol.Chem., 295, 2020
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3DDL
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![BU of 3ddl by Molmil](/molmil-images/mine/3ddl) | Crystallographic Structure of Xanthorhodopsin, a Light-Driven Ion Pump with Dual Chromophore | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, RETINAL, ... | 著者 | Stagno, J, Luecke, H, Schobert, B, Lanyi, J.K, Imasheva, E.S, Wang, J.M, Balashov, S.P. | 登録日 | 2008-06-05 | 公開日 | 2008-10-14 | 最終更新日 | 2016-06-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallographic structure of xanthorhodopsin, the light-driven proton pump with a dual chromophore. Proc.Natl.Acad.Sci.USA, 105, 2008
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7V18
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![BU of 7v18 by Molmil](/molmil-images/mine/7v18) | Factor XIa in Complex with Compound 3f | 分子名称: | 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.732 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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8AJS
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![BU of 8ajs by Molmil](/molmil-images/mine/8ajs) | Crystal structure of the F324A mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations | 分子名称: | ADENOSINE, Adenosylhomocysteinase, CHLORIDE ION, ... | 著者 | Drozdzal, P, Wozniak, K, Malecki, P, Gawel, M, Komorowska, M, Brzezinski, K. | 登録日 | 2022-07-28 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Crystal structure of the F324A mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations To Be Published
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7V12
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![BU of 7v12 by Molmil](/molmil-images/mine/7v12) | Factor XIa in Complex with Compound 2f | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Spurlino, J, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V0Z
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![BU of 7v0z by Molmil](/molmil-images/mine/7v0z) | Factor XIa in Complex with Compound 2a | 分子名称: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | 著者 | Shaffer, P.L, Spurlino, J, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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5FJW
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6R0C
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![BU of 6r0c by Molmil](/molmil-images/mine/6r0c) | Human-D02 Nucleosome Core Particle with biotin-streptavidin label | 分子名称: | DNA (142-MER), Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, ... | 著者 | Pye, V.E, Wilson, M.D, Cherepanov, P, Costa, A. | 登録日 | 2019-03-12 | 公開日 | 2019-09-25 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer. Nat Commun, 10, 2019
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7V16
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![BU of 7v16 by Molmil](/molmil-images/mine/7v16) | Factor XIa in Complex with Compound 2j | 分子名称: | 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.505 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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6GOM
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![BU of 6gom by Molmil](/molmil-images/mine/6gom) | KRAS-169 Q61H GPPNHP + PPIN-1 | 分子名称: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... | 著者 | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | 登録日 | 2018-06-01 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8GS5
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![BU of 8gs5 by Molmil](/molmil-images/mine/8gs5) | Crystal structure of a constitutively active mutant of human IDH3 holoenzyme in apo form | 分子名称: | Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit gamma, ... | 著者 | Sun, P, Chen, X, Ding, J. | 登録日 | 2022-09-04 | 公開日 | 2022-11-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (4.486 Å) | 主引用文献 | Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction. J.Biol.Chem., 298, 2022
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7V11
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![BU of 7v11 by Molmil](/molmil-images/mine/7v11) | Factor XIa in Complex with Compound 2e | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.472 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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6XZE
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![BU of 6xze by Molmil](/molmil-images/mine/6xze) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | 分子名称: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | 登録日 | 2020-02-04 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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7V10
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![BU of 7v10 by Molmil](/molmil-images/mine/7v10) | Factor XIa in Complex with Compound 2d | 分子名称: | CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | 著者 | Shaffer, P.L, Spurlino, J, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7V2S
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![BU of 7v2s by Molmil](/molmil-images/mine/7v2s) | Crystal structure of juvenile hormone acid methyltransferase JHAMT isoform3 from silkworm | 分子名称: | Methyltranfer_dom domain-containing protein | 著者 | Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y. | 登録日 | 2021-08-09 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.133 Å) | 主引用文献 | Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori. Insect Biochem.Mol.Biol., 151, 2022
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8GRB
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7OZJ
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3DA6
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![BU of 3da6 by Molmil](/molmil-images/mine/3da6) | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | 分子名称: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | 著者 | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | 登録日 | 2008-05-28 | 公開日 | 2009-01-06 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase Bioorg.Med.Chem.Lett., 19, 2009
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7P1Y
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5L86
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![BU of 5l86 by Molmil](/molmil-images/mine/5l86) | engineered ascorbate peroxidise | 分子名称: | Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Hayashi, T, Mittl, P, Hilvert, D. | 登録日 | 2016-06-07 | 公開日 | 2017-03-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A Chemically Programmed Proximal Ligand Enhances the Catalytic Properties of a Heme Enzyme. J. Am. Chem. Soc., 138, 2016
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6XJL
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8PXD
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