6Q3B
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![BU of 6q3b by Molmil](/molmil-images/mine/6q3b) | CDK2 in complex with FragLite2 | 分子名称: | 4-IODOPYRAZOLE, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-04 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q49
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![BU of 6q49 by Molmil](/molmil-images/mine/6q49) | CDK2 in complex with FragLite6 | 分子名称: | 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4G
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![BU of 6q4g by Molmil](/molmil-images/mine/6q4g) | CDK2 in complex with FragLite37 | 分子名称: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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7LNU
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![BU of 7lnu by Molmil](/molmil-images/mine/7lnu) | Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to isopentenyl monophosphate and ATP | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | 登録日 | 2021-02-08 | 公開日 | 2021-12-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus . Acs Chem.Biol., 17, 2022
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7LNT
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![BU of 7lnt by Molmil](/molmil-images/mine/7lnt) | Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to benzyl monophosphate and ATP | 分子名称: | (phenylmethyl) dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | 著者 | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | 登録日 | 2021-02-08 | 公開日 | 2021-12-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus . Acs Chem.Biol., 17, 2022
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7LNV
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![BU of 7lnv by Molmil](/molmil-images/mine/7lnv) | Apo Structure of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus | 分子名称: | GLYCEROL, Isopentenyl phosphate kinase, MALONATE ION | 著者 | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | 登録日 | 2021-02-08 | 公開日 | 2021-12-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus . Acs Chem.Biol., 17, 2022
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6Q48
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![BU of 6q48 by Molmil](/molmil-images/mine/6q48) | CDK2 in complex with FragLite7 | 分子名称: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4H
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![BU of 6q4h by Molmil](/molmil-images/mine/6q4h) | CDK2 in complex with FragLite36 | 分子名称: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6UC4
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![BU of 6uc4 by Molmil](/molmil-images/mine/6uc4) | Barbed end side of a cofilactin cluster | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | 登録日 | 2019-09-13 | 公開日 | 2020-01-01 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (9.2 Å) | 主引用文献 | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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7LDF
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![BU of 7ldf by Molmil](/molmil-images/mine/7ldf) | |
6Q4A
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![BU of 6q4a by Molmil](/molmil-images/mine/6q4a) | CDK2 in complex with FragLite14 | 分子名称: | 5-iodanylpyrimidine, CYCLIN-DEPENDENT KINASE 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4I
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![BU of 6q4i by Molmil](/molmil-images/mine/6q4i) | CDK2 in complex with FragLite35 | 分子名称: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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1L7X
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![BU of 1l7x by Molmil](/molmil-images/mine/1l7x) | Human liver glycogen phosphorylase b complexed with caffeine, N-acetyl-beta-D-glucopyranosylamine, and CP-403,700 | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, CAFFEINE, Glycogen phosphorylase, ... | 著者 | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | 登録日 | 2002-03-18 | 公開日 | 2002-12-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase. Chem.Biol., 9, 2002
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1L9H
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![BU of 1l9h by Molmil](/molmil-images/mine/1l9h) | Crystal structure of bovine rhodopsin at 2.6 angstroms RESOLUTION | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEPTANE-1,2,3-TRIOL, MERCURY (II) ION, ... | 著者 | Okada, T, Fujiyoshi, Y, Silow, M, Navarro, J, Landau, E.M, Shichida, Y. | 登録日 | 2002-03-23 | 公開日 | 2002-05-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Functional role of internal water molecules in rhodopsin revealed by X-ray crystallography. Proc.Natl.Acad.Sci.USA, 99, 2002
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6Q4C
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![BU of 6q4c by Molmil](/molmil-images/mine/6q4c) | CDK2 in complex with FragLite16 | 分子名称: | 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4F
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![BU of 6q4f by Molmil](/molmil-images/mine/6q4f) | CDK2 in complex with FragLite32 | 分子名称: | Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6PZM
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![BU of 6pzm by Molmil](/molmil-images/mine/6pzm) | |
6TIM
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![BU of 6tim by Molmil](/molmil-images/mine/6tim) | |
6Q4E
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![BU of 6q4e by Molmil](/molmil-images/mine/6q4e) | CDK2 in complex with FragLite33 | 分子名称: | 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4K
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![BU of 6q4k by Molmil](/molmil-images/mine/6q4k) | CDK2 in complex with FragLite38 | 分子名称: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6TVP
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![BU of 6tvp by Molmil](/molmil-images/mine/6tvp) | Structure of Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM | 分子名称: | Alpha-maltose-1-phosphate synthase, SODIUM ION | 著者 | Syson, K, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | 登録日 | 2020-01-10 | 公開日 | 2020-04-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM. Acta Crystallogr.,Sect.F, 76, 2020
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6U9K
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![BU of 6u9k by Molmil](/molmil-images/mine/6u9k) | MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | 分子名称: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2019-09-09 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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1CHK
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![BU of 1chk by Molmil](/molmil-images/mine/1chk) | |
6UC0
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![BU of 6uc0 by Molmil](/molmil-images/mine/6uc0) | Isolated S3D-cofilin bound to an actin filament | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | 登録日 | 2019-09-13 | 公開日 | 2020-01-01 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (7.5 Å) | 主引用文献 | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Q3F
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![BU of 6q3f by Molmil](/molmil-images/mine/6q3f) | CDK2 in complex with FragLite2 | 分子名称: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-04 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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