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5YRO
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BU of 5yro by Molmil
RanL182A in complex with RanBP1-CRM1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1,Exportin-1, ...
著者Sun, Q, Zhang, Y.
登録日2017-11-09
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献RanL182A in complex with RanBP1-CRM1
To Be Published
8ROY
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BU of 8roy by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24
分子名称: 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
著者Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
登録日2024-01-12
公開日2024-04-03
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
6G0D
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BU of 6g0d by Molmil
BRD4 (BD1) in complex with APSC-derived ligands (e.g. LY294002)
分子名称: 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, Bromodomain-containing protein 4
著者Pretzel, J, Humbeck, L.
登録日2018-03-18
公開日2020-01-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.314 Å)
主引用文献Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
6G0F
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BU of 6g0f by Molmil
BRD4 (BD1) in complex with docking-derived ligand
分子名称: (4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Pretzel, J, Humbeck, L.
登録日2018-03-18
公開日2020-01-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.618 Å)
主引用文献Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
5YTB
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BU of 5ytb by Molmil
RanY197A in complex with RanBP1-CRM1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Sun, Q, Zhang, Y.
登録日2017-11-17
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献RanY197A in complex with RanBP1-CRM1
To Be Published
7K9L
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BU of 7k9l by Molmil
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
7V2J
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BU of 7v2j by Molmil
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
7UZN
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BU of 7uzn by Molmil
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
7JY5
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BU of 7jy5 by Molmil
Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97)
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Pan, M, Yu, Y, Liu, L, Zhao, M.
登録日2020-08-28
公開日2021-01-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
7KBH
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BU of 7kbh by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
6FNX
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BU of 6fnx by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR F1
分子名称: 1,2-ETHANEDIOL, 7-ethyl-3-(phenylmethyl)purine-2,6-dione, Bromodomain-containing protein 4
著者Raux, B, Betzi, S.
登録日2018-02-05
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018
7KA2
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BU of 7ka2 by Molmil
Aldolase, rabbit muscle (beam-tilt refinement x2)
分子名称: Fructose-bisphosphate aldolase A
著者Kearns, S.K, Cash, J.N, Cianfrocco, M.A, 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 (3.6 Å)
主引用文献High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
8A3D
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BU of 8a3d by Molmil
Human mature large subunit of the ribosome with eIF6 and homoharringtonine bound
分子名称: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 28S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Faille, A, Warren, A.J, Dent, K.C.
登録日2022-06-08
公開日2023-03-08
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (1.67 Å)
主引用文献The chemical landscape of the human ribosome at 1.67 angstrom resolution.
Biorxiv, 2023
6G0E
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BU of 6g0e by Molmil
BRD4 (BD1) in complex with APSC-derived ligands
分子名称: 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one, Bromodomain-containing protein 4, FORMIC ACID, ...
著者Pretzel, J, Humbeck, L.
登録日2018-03-18
公開日2020-01-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
6G0G
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BU of 6g0g by Molmil
BRD4 (BD1) in complex with APSC-derived ligands (e.g. sulfasalazine)
分子名称: 1,2-ETHANEDIOL, 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, Bromodomain-containing protein 4, ...
著者Humbeck, L, Pretzel, J.
登録日2018-03-18
公開日2020-01-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
6G0O
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BU of 6g0o by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX
著者Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
登録日2018-03-19
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
8Q1S
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BU of 8q1s by Molmil
Pathogenic mutations of human phosphorylation sites affect protein-protein interactions
分子名称: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, BROMIDE ION, ...
著者Roske, Y, Daumke, O, Rrustemi, T, Selbach, M.
登録日2023-08-01
公開日2024-02-21
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Pathogenic mutations of human phosphorylation sites affect protein-protein interactions.
Nat Commun, 15, 2024
6G4W
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BU of 6g4w by Molmil
Cryo-EM structure of a late human pre-40S ribosomal subunit - State A
分子名称: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R.
登録日2018-03-28
公開日2018-06-06
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Visualizing late states of human 40S ribosomal subunit maturation.
Nature, 558, 2018
5Z5T
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BU of 5z5t by Molmil
The first bromodomain of BRD4 with compound BDF-2141
分子名称: 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
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BU of 5z5v by Molmil
The first bromodomain of BRD4 with compound BDF-1253
分子名称: Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
6FY4
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BU of 6fy4 by Molmil
Structure of human NAD(P) H:quinone oxidoreductase in complex with N-(2-bromophenyl)pyrrolidine-1-sulfonamide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-(2-bromophenyl)pyrrolidine-1-sulfonamide, NAD(P)H dehydrogenase [quinone] 1
著者Gruber, K, Hromic, A.
登録日2018-03-10
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献A small molecule chaperone rescues the stability and activity of a cancer-associated variant of NAD(P)H:quinone oxidoreductase 1 in vitro.
Febs Lett., 594, 2020
5Z90
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BU of 5z90 by Molmil
BRD4 Bromodomain 1 with an inhibitor
分子名称: 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
著者Xiao, S, Chen, S, Chen, H.
登録日2018-02-01
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献BRD4 Bromodomain 1 with an inhibitor
To Be Published
7KQ1
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BU of 7kq1 by Molmil
PCNA bound to truncated peptide mimetic
分子名称: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
著者Vandborg, B.A, Bruning, J.B.
登録日2020-11-13
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
7KQ0
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BU of 7kq0 by Molmil
PCNA bound to peptide mimetic
分子名称: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-TYR-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
著者Vandborg, B.A, Bruning, J.B.
登録日2020-11-13
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
7UGF
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BU of 7ugf by Molmil
First bromodomain of BRD4 liganded with BMS-536924
分子名称: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Schonbrunn, E, Bikowitz, M.
登録日2022-03-24
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published

223790

件を2024-08-14に公開中

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