6WKB
 
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5L3E
 | | LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine, ... | | 著者 | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | | 登録日 | 2016-04-10 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
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7RIK
 | | Magic-Angle-Spinning NMR Structure of Kinesin-1 Motor Domain Assembled with Microtubules | | 分子名称: | Kinesin-1 heavy chain | | 著者 | Zhang, C, Guo, C, Russell, R.W, Quinn, C.M, Li, M, Williams, J.C, Gronenborn, A.M, Polenova, T. | | 登録日 | 2021-07-20 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | Magic-angle-spinning NMR structure of the kinesin-1 motor domain assembled with microtubules reveals the elusive neck linker orientation
Nat Commun, 13, 2022
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5KUQ
 | | Human cyclophilin A at 100K, Data set 4 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-13 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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5KV4
 | | Human cyclophilin A at 278K, Data set 6 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-13 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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7R5B
 | | Crystal structure of BRD4(1) in complex with the inhibitor MPM2 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ... | | 著者 | Huegle, M. | | 登録日 | 2022-02-10 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | A novel pan-selective bromodomain inhibitor for epigenetic drug design
Eur.J.Med.Chem., 249, 2023
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5KYJ
 | | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | | 分子名称: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta | | 著者 | Chen, G, McKeever, B.M. | | 登録日 | 2016-07-21 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
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7P3B
 | | Human RNA ligase RTCB in complex with GMP and Co(II) | | 分子名称: | ACETATE ION, COBALT (II) ION, FORMIC ACID, ... | | 著者 | Kroupova, A, Ackle, F, Jinek, M. | | 登録日 | 2021-07-07 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular architecture of the human tRNA ligase complex.
Elife, 10, 2021
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5KPN
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | 分子名称: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | | 著者 | Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L. | | 登録日 | 2016-07-05 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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8EYI
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8EYK
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6RJ3
 | | Crystal structure of PHGDH in complex with compound 15 | | 分子名称: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | | 登録日 | 2019-04-26 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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7VCU
 | | Human p97 double hexamer conformer I with D1-ATPgammaS and D2-ADP bound | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | 著者 | Gao, H, Li, F, Shi, Z, Li, Y, Yu, H. | | 登録日 | 2021-09-04 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state.
Cell Discov, 8, 2022
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6WC6
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7VCT
 | | Human p97 single hexamer conformer III with D1-ATPgammaS and D2-ADP bound | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | 著者 | Gao, H, Li, F, Shi, Z, Li, Y, Yu, H. | | 登録日 | 2021-09-04 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | | 主引用文献 | Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state.
Cell Discov, 8, 2022
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8F93
 | | WDR5 covalently modified at Y228 by (R)-2-SF | | 分子名称: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ... | | 著者 | Taunton, J, Craven, G.B, Chen, Y. | | 登録日 | 2022-11-23 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes.
Nat.Chem., 15, 2023
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2MKG
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5KUO
 | | Human cyclophilin A at 100K, Data set 3 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-13 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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5KUV
 | | Human cyclophilin A at 100K, Data set 8 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-13 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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5KUZ
 | | Human cyclophilin A at 278K, Data set 1 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-13 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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5KV3
 | | Human cyclophilin A at 278K, Data set 5 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-13 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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6WVX
 | | Crystal structure of the first bromodomain of human BRD4 with benzodiazepine inhibitor | | 分子名称: | 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine], Bromodomain-containing protein 4 | | 著者 | Eron, S.J. | | 登録日 | 2020-05-07 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural Characterization of Degrader-Induced Ternary Complexes Using Hydrogen-Deuterium Exchange Mass Spectrometry and Computational Modeling: Implications for Structure-Based Design.
Acs Chem.Biol., 16, 2021
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7VB2
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2MMG
 | | Structural Characterization of the Mengovirus Leader Protein Bound to Ran GTPase by Nuclear Magnetic Resonance | | 分子名称: | GTP-binding nuclear protein Ran | | 著者 | Bacot-Davis, V.R, Palmenberg, A.C, Cornilescu, C.C, Markley, J.L. | | 登録日 | 2014-03-15 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structures of Mengovirus Leader protein, its phosphorylated derivatives, and in complex with nuclear transport regulatory protein, RanGTPase.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5L3F
 | | LSD1-CoREST1 in complex with polymyxin B | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ... | | 著者 | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | | 登録日 | 2016-04-10 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
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