6SWG
 
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7UKN
 | | Crystal Structure of DDB1 in Complex with the H-Box Motif of pUL145 | | 分子名称: | DNA damage-binding protein 1, H-Box Motif of pUL145 | | 著者 | Wick, E.T, Treadway, C.J, Nicely, N.I, Li, Z, Ren, Z, Baldwin, A.S, Xiong, Y, Harrison, J.S, Brown, N.G. | | 登録日 | 2022-04-01 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Insight into Viral Hijacking of CRL4 Ubiquitin Ligase through Structural Analysis of the pUL145-DDB1 Complex.
J.Virol., 96, 2022
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8FW6
 | | Human Lactate Dehydrogenase A in Complex with Inhibitor CHK-336 | | 分子名称: | (2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Lowther, W.T, Gumpena, R. | | 登録日 | 2023-01-20 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Human Lactate Dehydrogenase A in complex with inhibitor CHK-336
To Be Published
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2MQ6
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7V1U
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | | 著者 | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | 登録日 | 2021-08-06 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
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6YIN
 | | Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand | | 分子名称: | (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, Bromodomain-containing protein 4 | | 著者 | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | 登録日 | 2020-04-01 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
To Be Published
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6SWQ
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD2 (GSK046) | | 分子名称: | 1,2-ETHANEDIOL, 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide, Bromodomain-containing protein 4 | | 著者 | Chung, C. | | 登録日 | 2019-09-22 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation.
Science, 368, 2020
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6Y2L
 | | Structure of human ribosome in POST state | | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | 著者 | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | | 登録日 | 2020-02-16 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
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6Y9Y
 | | Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13) | | 分子名称: | Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | | 登録日 | 2020-03-10 | | 公開日 | 2020-08-19 | | 最終更新日 | 2021-02-10 | | 実験手法 | ELECTRON MICROSCOPY (6.1 Å) | | 主引用文献 | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
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4IOO
 | | Crystal Structure of the first bromodomain of BRD4 in complex with N-methyltrimethylacetamide | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | 著者 | Lolli, G, Battistutta, R. | | 登録日 | 2013-01-08 | | 公開日 | 2013-10-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Different orientations of low-molecular-weight fragments in the binding pocket of a BRD4 bromodomain.
Acta Crystallogr.,Sect.D, 69, 2013
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7PLK
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7V2J
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | | 分子名称: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | | 著者 | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | 登録日 | 2021-08-09 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
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2O8C
 | | human MutSalpha (MSH2/MSH6) bound to ADP and an O6-methyl-guanine T mispair | | 分子名称: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*(6OG)P*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | | 登録日 | 2006-12-12 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.37 Å) | | 主引用文献 | Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
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7UZN
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP | | 分子名称: | 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | | 著者 | Sheriff, S. | | 登録日 | 2022-05-09 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.685 Å) | | 主引用文献 | Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
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8FVK
 | | First bromodomain of BRD4 liganded with CCS-1477 | | 分子名称: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Schonbrunn, E, Bikowitz, M. | | 登録日 | 2023-01-19 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
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4IGG
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6YQO
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12 | | 分子名称: | (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-17 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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5LZV
 | | Structure of the mammalian ribosomal termination complex with accommodated eRF1(AAQ) and ABCE1. | | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ... | | 著者 | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | | 登録日 | 2016-10-02 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | | 主引用文献 | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
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6Y9W
 | | Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8) | | 分子名称: | Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | | 登録日 | 2020-03-10 | | 公開日 | 2020-08-19 | | 最終更新日 | 2021-02-10 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
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6XVC
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1 | | 分子名称: | (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | | 登録日 | 2020-01-21 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.098 Å) | | 主引用文献 | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5M3A
 | | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 2 | | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | | 著者 | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | | 登録日 | 2016-10-14 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design.
J. Med. Chem., 60, 2017
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7T3F
 | | Development of BRD4 inhibitors as arsenicals antidotes | | 分子名称: | 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL | | 著者 | Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J. | | 登録日 | 2021-12-07 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
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6XTX
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8FQJ
 | | LSD1-CoREST in complex with T14, short soaking | | 分子名称: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate | | 著者 | Caroli, J, Mattevi, A. | | 登録日 | 2023-01-06 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To be published
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8FJ6
 | | LSD1-CoREST in complex with T108, long soaking | | 分子名称: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | | 著者 | Caroli, J, Mattevi, A. | | 登録日 | 2022-12-19 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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