6UFX
 
 | | WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) | | 分子名称: | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 | | 著者 | Rietz, T.A, Fesik, S.W, Zhao, B. | | 登録日 | 2019-09-25 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
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5X4W
 | | Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition | | 分子名称: | PHOSPHATE ION, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
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6JJ3
 | | BRD4 in complex with 138A | | 分子名称: | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4 | | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.718 Å) | | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
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6TWU
 | | MAGI1_2 complexed with a phosphomimetic 16E6 peptide | | 分子名称: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | | 著者 | Gogl, G, Cousido-Siah, A, Trave, G. | | 登録日 | 2020-01-13 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
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6J3P
 | | Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n | | 分子名称: | 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A | | 著者 | Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y. | | 登録日 | 2019-01-05 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | | 主引用文献 | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
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5Z78
 | | Structure of TIRR/53BP1 complex | | 分子名称: | TP53-binding protein 1, Tudor-interacting repair regulator protein | | 著者 | Dai, Y.X, Shan, S. | | 登録日 | 2018-01-27 | | 公開日 | 2018-06-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.762 Å) | | 主引用文献 | Structural basis for recognition of 53BP1 tandem Tudor domain by TIRR
Nat Commun, 9, 2018
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7JZJ
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6K0R
 | | Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | | 分子名称: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | | 登録日 | 2019-05-07 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
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6UDP
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7K9L
 | | Aldolase, rabbit muscle (no beam-tilt refinement) | | 分子名称: | Fructose-bisphosphate aldolase A | | 著者 | Cianfrocco, M.A, Kearns, S.E, Cash, J.N, Li, Y. | | 登録日 | 2020-09-29 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | | 主引用文献 | High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
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6UCS
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6UD7
 | | Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam | | 分子名称: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ... | | 著者 | Bussiere, D.E, Shu, W, Xie, L, Knapp, M. | | 登録日 | 2019-09-18 | | 公開日 | 2019-12-18 | | 最終更新日 | 2020-01-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
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6K25
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6K3A
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6K71
 | | eIF2 - eIF2B complex | | 分子名称: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ... | | 著者 | Kashiwagi, K, Yokoyama, T, Ito, T. | | 登録日 | 2019-06-05 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structural basis for eIF2B inhibition in integrated stress response.
Science, 364, 2019
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5YZG
 | | The Cryo-EM Structure of Human Catalytic Step I Spliceosome (C complex) at 4.1 angstrom resolution | | 分子名称: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Zhan, X, Yan, C, Zhang, X, Lei, J, Shi, Y. | | 登録日 | 2017-12-14 | | 公開日 | 2018-08-08 | | 最終更新日 | 2020-10-14 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structure of a human catalytic step I spliceosome
Science, 359, 2018
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6KDB
 | | Crystal structure of human DNMT3B-DNMT3L in complex with DNA containing CpGpT site | | 分子名称: | DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | | 著者 | Lin, C.-C, Chen, Y.-P, Yang, W.-Z, Shen, C.-K, Yuan, H.S. | | 登録日 | 2019-07-01 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.862 Å) | | 主引用文献 | Structural insights into CpG-specific DNA methylation by human DNA methyltransferase 3B.
Nucleic Acids Res., 48, 2020
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6KDT
 | | Crystal structure of human DNMT3B (Q772R)-DNMT3L complex | | 分子名称: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, FORMIC ACID, ... | | 著者 | Lin, C.-C, Chen, Y.-P, Yang, W.-Z, Shen, C.-K, Yuan, H.S. | | 登録日 | 2019-07-02 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Structural insights into CpG-specific DNA methylation by human DNA methyltransferase 3B.
Nucleic Acids Res., 48, 2020
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5WC7
 | | CypA Mutant - I97V S99T C115S | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Fraser, J.S. | | 登録日 | 2017-06-29 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
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6SXA
 | | XPF-ERCC1 Cryo-EM Structure, Apo-form | | 分子名称: | DNA excision repair protein ERCC-1, DNA repair endonuclease XPF | | 著者 | Jones, M.L, Briggs, D.C, McDonald, N.Q. | | 登録日 | 2019-09-25 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Cryo-EM structures of the XPF-ERCC1 endonuclease reveal how DNA-junction engagement disrupts an auto-inhibited conformation.
Nat Commun, 11, 2020
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6KGP
 | | LSD1-S2157 N5 adduct model | | 分子名称: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Niwa, H, Sato, S, Umehara, T. | | 登録日 | 2019-07-12 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
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7M2N
 | | Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | 登録日 | 2021-03-17 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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7MOY
 | | Structure of HDAC2 in complex with an inhibitor (compound 19) | | 分子名称: | (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2021-05-03 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
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6KFT
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6KGO
 | | LSD1-S2157 five-membered ring adduct model | | 分子名称: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Niwa, H, Sato, S, Umehara, T. | | 登録日 | 2019-07-12 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
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