8SNY
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![BU of 8sny by Molmil](/molmil-images/mine/8sny) | Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the trailer complementary promoter | 分子名称: | Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*UP*CP*GP*U)-3'), RNA-directed RNA polymerase L | 著者 | Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B. | 登録日 | 2023-04-28 | 公開日 | 2023-12-20 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | 主引用文献 | Structures of the promoter-bound respiratory syncytial virus polymerase. Nature, 625, 2024
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8SOT
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8T1R
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![BU of 8t1r by Molmil](/molmil-images/mine/8t1r) | Crystal structure of human CPSF73 catalytic segment in complex with compound 2 | 分子名称: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... | 著者 | Huang, J, Tong, L. | 登録日 | 2023-06-02 | 公開日 | 2023-11-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol, 31, 2024
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8T1Q
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![BU of 8t1q by Molmil](/molmil-images/mine/8t1q) | Crystal structure of human CPSF73 catalytic segment in complex with compound 1 | 分子名称: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... | 著者 | Huang, J, Tong, L. | 登録日 | 2023-06-02 | 公開日 | 2023-11-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol, 31, 2024
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6DQ9
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![BU of 6dq9 by Molmil](/molmil-images/mine/6dq9) | Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | 分子名称: | 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQD
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6DQ5
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6DQE
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5F3I
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![BU of 5f3i by Molmil](/molmil-images/mine/5f3i) | Crystal structure of human KDM4A in complex with compound 54j | 分子名称: | 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F5C
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![BU of 5f5c by Molmil](/molmil-images/mine/5f5c) | Crystal Structure of human JMJD2D complexed with KDOPP7 | 分子名称: | 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ... | 著者 | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-04 | 公開日 | 2015-12-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F3E
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![BU of 5f3e by Molmil](/molmil-images/mine/5f3e) | Crystal structure of human KDM4A in complex with compound 54a | 分子名称: | 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F37
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![BU of 5f37 by Molmil](/molmil-images/mine/5f37) | Crystal structure of human KDM4A in complex with compound 58 | 分子名称: | 1,2-ETHANEDIOL, 3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F5A
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![BU of 5f5a by Molmil](/molmil-images/mine/5f5a) | Crystal Structure of human JMJD2D complexed with KDOAM16 | 分子名称: | 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ... | 著者 | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-04 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F2W
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![BU of 5f2w by Molmil](/molmil-images/mine/5f2w) | Crystal structure of human KDM4A in complex with compound 16 | 分子名称: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F39
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![BU of 5f39 by Molmil](/molmil-images/mine/5f39) | Crystal structure of human KDM4A in complex with compound 37 | 分子名称: | 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Lysine-specific demethylase 4A, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F32
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![BU of 5f32 by Molmil](/molmil-images/mine/5f32) | Crystal structure of human KDM4A in complex with compound 40 | 分子名称: | 1,2-ETHANEDIOL, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F2S
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![BU of 5f2s by Molmil](/molmil-images/mine/5f2s) | Crystal structure of human KDM4A in complex with compound 15 | 分子名称: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F5I
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![BU of 5f5i by Molmil](/molmil-images/mine/5f5i) | Crystal Structure of human JMJD2A complexed with KDOOA011340 | 分子名称: | 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | 著者 | Krojer, T, Vollmar, M, Crawley, L, Szykowska, A, Gileadi, C, Johansson, C, England, K, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-04 | 公開日 | 2015-12-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F3C
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![BU of 5f3c by Molmil](/molmil-images/mine/5f3c) | Crystal structure of human KDM4A in complex with compound 52d | 分子名称: | 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F3G
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![BU of 5f3g by Molmil](/molmil-images/mine/5f3g) | Crystal structure of human KDM4A in complex with compound 53a | 分子名称: | 8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5FPL
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![BU of 5fpl by Molmil](/molmil-images/mine/5fpl) | Crystal structure of human JARID1B in complex with CCT363901 | 分子名称: | 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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6QIX
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![BU of 6qix by Molmil](/molmil-images/mine/6qix) | The crystal structure of Trichuris muris p43 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | 著者 | Levy, C.W. | 登録日 | 2019-01-21 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function. Nat Commun, 10, 2019
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5W8L
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![BU of 5w8l by Molmil](/molmil-images/mine/5w8l) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ... | 著者 | Davies, D.R, Dranow, D.M. | 登録日 | 2017-06-21 | 公開日 | 2018-01-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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5YC5
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![BU of 5yc5 by Molmil](/molmil-images/mine/5yc5) | Crystal structure of human IgG-Fc in complex with aglycan and optimized Fc gamma receptor IIIa | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, ... | 著者 | Caaveiro, J.M.M, Tamura, H, Tsumoto, K, Kiyoshi, M. | 登録日 | 2017-09-06 | 公開日 | 2018-03-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Assessing the Heterogeneity of the Fc-Glycan of a Therapeutic Antibody Using an engineered Fc gamma Receptor IIIa-Immobilized Column. Sci Rep, 8, 2018
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6Q0D
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![BU of 6q0d by Molmil](/molmil-images/mine/6q0d) | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | 著者 | Dranow, D.M, Davies, D.R. | 登録日 | 2019-08-01 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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