7RJQ
 
 | | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with ILF3 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | | 著者 | Fedorov, E, Islam, K, Ghosh, A. | | 登録日 | 2021-07-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
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7RJK
 | | Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with hnRNPK | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ... | | 著者 | Fedorov, E, Islam, K, Ghosh, A. | | 登録日 | 2021-07-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
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7RN2
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2 | | 分子名称: | 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4 | | 著者 | Stachowski, T.R, Fischer, M. | | 登録日 | 2021-07-28 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
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7RJP
 | | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with SHMT | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | | 著者 | Fedorov, E, Islam, K, Ghosh, A. | | 登録日 | 2021-07-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
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7RMD
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1 | | 分子名称: | 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4 | | 著者 | Stachowski, T.R, Fischer, M. | | 登録日 | 2021-07-27 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
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7RJN
 | | Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with BCLTF1 | | 分子名称: | 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 3 | | 著者 | Fedorov, E, Islam, K, Ghosh, A. | | 登録日 | 2021-07-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
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4IPZ
 | | SmBz bound to Cyclophilin A | | 分子名称: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase A, cyclosporine SmBz-CsA | | 著者 | Price, A.J, Jacques, D.A, James, L.C. | | 登録日 | 2013-01-10 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | HIV-1 evades innate immune recognition through specific cofactor recruitment.
Nature, 503, 2013
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6TPY
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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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6TE1
 | | Structure of the KDM1A/CoREST complex with the inhibitor 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol | | 分子名称: | 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Pasqualato, S, Cecatiello, V. | | 登録日 | 2019-11-11 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models.
Acs Med.Chem.Lett., 11, 2020
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6T58
 | | Structure determination of the transactivation domain of p53 in complex with S100A4 using annexin A2 as a crystallization chaperone | | 分子名称: | CALCIUM ION, Cellular tumor antigen p53,Protein S100-A4,Protein S100-A4,Annexin A2, GLYCEROL | | 著者 | Ecsedi, P, Gogl, G, Nyitray, L. | | 登録日 | 2019-10-15 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure Determination of the Transactivation Domain of p53 in Complex with S100A4 Using Annexin A2 as a Crystallization Chaperone.
Structure, 28, 2020
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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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6LLC
 | | Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma | | 分子名称: | 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ... | | 著者 | Ye, K, Li, H. | | 登録日 | 2019-12-23 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13, 2020
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4GPT
 | | Crystal structure of KPT251 in complex with CRM1-Ran-RanBP1 | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole, CHLORIDE ION, ... | | 著者 | Sun, Q, Chook, Y.M. | | 登録日 | 2012-08-21 | | 公開日 | 2012-09-05 | | 最終更新日 | 2013-01-23 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Antileukemic activity of nuclear export inhibitors that spare normal hematopoietic cells.
Leukemia, 27, 2013
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4H1I
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6NQM
 | | Crystal structure of Human LSD1 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A | | 著者 | Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S. | | 登録日 | 2019-01-21 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer.
Front Immunol, 10, 2019
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4H9S
 | | Complex structure 6 of DAXX/H3.3(sub7)/H4 | | 分子名称: | Death domain-associated protein 6, Histone H3.3, Histone H4, ... | | 著者 | Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J. | | 登録日 | 2012-09-24 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
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6RLB
 | | Structure of the dynein-2 complex; tail domain | | 分子名称: | Cytoplasmic dynein 2 light intermediate chain 1, Dynein light chain 1, cytoplasmic, ... | | 著者 | Toropova, K, Zalyte, R, Mukhopadhyay, A.G, Mladenov, M, Carter, A.P, Roberts, A.J. | | 登録日 | 2019-05-01 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Structure of the dynein-2 complex and its assembly with intraflagellar transport trains.
Nat.Struct.Mol.Biol., 26, 2019
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4HB0
 | | Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RanBP1 | | 分子名称: | CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ... | | 著者 | Sun, Q, Chook, Y.M. | | 登録日 | 2012-09-27 | | 公開日 | 2013-01-09 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HXM
 | | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | | 分子名称: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | 登録日 | 2012-11-12 | | 公開日 | 2013-04-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4I9U
 | | Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | | 分子名称: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | 著者 | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | | 登録日 | 2012-12-05 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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6M61
 | | Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) with inhibitor heptelidic acid | | 分子名称: | (5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Yan, Y, Zang, X, Cooper, S.J, Lin, H, Zhou, J, Tang, Y. | | 登録日 | 2020-03-12 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.82449543 Å) | | 主引用文献 | Biosynthesis of the fungal glyceraldehyde-3-phosphate dehydrogenase inhibitor heptelidic acid and mechanism of self-resistance
Chem Sci, 11, 2020
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6RIH
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6RJ2
 | | Crystal structure of PHGDH in complex with compound 40 | | 分子名称: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | | 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 (2 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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4GV7
 | | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328 | | 分子名称: | 2-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 1 | | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | 登録日 | 2012-08-30 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Acs Chem.Biol., 8, 2013
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