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7MDZ
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BU of 7mdz by Molmil
80S rabbit ribosome stalled with benzamide-CHX
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S21, ...
Authors:Koga, Y, Hoang, E.M, Park, Y, Keszei, A.F.A, Murray, J, Shao, S, Liau, B.B.
Deposit date:2021-04-06
Release date:2021-09-01
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Discovery of C13-Aminobenzoyl Cycloheximide Derivatives that Potently Inhibit Translation Elongation.
J.Am.Chem.Soc., 143, 2021
7M98
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BU of 7m98 by Molmil
ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand
Descriptor: ATPase family AAA domain-containing protein 2, Histone H4
Authors:Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C.
Deposit date:2021-03-30
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain.
Int J Mol Sci, 22, 2021
7MCE
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BU of 7mce by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(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-3-yl}propan-2-ol
Descriptor: 2-{(7P)-7-(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-3-yl}propan-2-ol, Bromodomain-containing protein 4
Authors:Sheriff, S.
Deposit date:2021-04-02
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype.
Bioorg.Med.Chem.Lett., 51, 2021
6KZG
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BU of 6kzg by Molmil
14-3-3 protein in Complex with CIC S301 phosphorylated peptide
Descriptor: 14-3-3 protein theta, ARG-SER-MET-SER-GLU-THR-GLY-THR
Authors:Wen, Y, Shao, Y.
Deposit date:2019-09-24
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:14-3-3 protein in Complex with CIC S301 phosphorylated peptide
To Be Published
6LIH
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BU of 6lih by Molmil
BRD4 BD1 bound with compound 10
Descriptor: (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D.
Deposit date:2019-12-11
Release date:2020-12-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62030542 Å)
Cite:BRD4 BD1 bound with compound 10
To Be Published
6LIM
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BU of 6lim by Molmil
BRD4-BD1 bound with compound 40
Descriptor: (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D, Li, Y.
Deposit date:2019-12-12
Release date:2020-12-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75909507 Å)
Cite:BRD4-BD1 bound with compound 40
To Be Published
6LG7
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BU of 6lg7 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-2030
Descriptor: 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol, Bromodomain-containing protein 4
Authors:Xu, H, Zuo, Y.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG6
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BU of 6lg6 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1021
Descriptor: Bromodomain-containing protein 4, N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
Authors:Xu, H, Zuo, Y.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG5
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BU of 6lg5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1038
Descriptor: 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one, Bromodomain-containing protein 4
Authors:Xu, H, Zuo, Y, Zhang, H.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LH4
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BU of 6lh4 by Molmil
Crystal structural of MacroD1-ADPr complex
Descriptor: ADP-ribose glycohydrolase MACROD1, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Yang, X, Ma, Y, Li, Y.
Deposit date:2019-12-06
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation.
DNA Repair (Amst), 94, 2020
6KVG
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BU of 6kvg by Molmil
The solution structure of human Orc6
Descriptor: Origin recognition complex subunit 6
Authors:Liu, C, Xu, N, You, Y, Zhu, G.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA replication origin recognition by human Orc6 protein binding with DNA.
Nucleic Acids Res., 48, 2020
7MHE
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BU of 7mhe by Molmil
Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7957
Descriptor: 1,2-ETHANEDIOL, 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine, Fatty acid synthase
Authors:Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N.
Deposit date:2021-04-15
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
To Be Published
7MHD
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BU of 7mhd by Molmil
Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
Descriptor: Fatty acid synthase, N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
Authors:Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N.
Deposit date:2021-04-15
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
To Be Published
7MHS
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BU of 7mhs by Molmil
Structure of p97 (subunits A to E) with substrate engaged
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Xu, Y, Han, H, Cooney, I, Hill, C.P, Shen, P.S.
Deposit date:2021-04-15
Release date:2022-05-11
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Active conformation of the p97-p47 unfoldase complex.
Nat Commun, 13, 2022
7MR5
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BU of 7mr5 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-052
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MR7
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BU of 7mr7 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain-containing protein 4
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MR8
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BU of 7mr8 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076
To Be Published
7MR6
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BU of 7mr6 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-082
Descriptor: Bromodomain-containing protein 4, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MO1
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BU of 7mo1 by Molmil
Crystal Structure of the ZnF1 of Nucleoporin NUP153 in complex with Ran-GDP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNW
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BU of 7mnw by Molmil
Crystal Structure of Nup358/RanBP2 Ran-binding domain 1 in complex with Ran-GPPNHP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNZ
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BU of 7mnz by Molmil
Crystal Structure of Nup358/RanBP2 Ran-binding domain 4 in complex with Ran-GPPNHP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MO0
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BU of 7mo0 by Molmil
Crystal Structure of Nucleoporin NUP50 Ran-Binding Domain in Complex with Ran-GPPNHP
Descriptor: GTP-binding nuclear protein Ran, MAGNESIUM ION, Nuclear pore complex protein Nup50, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2022-06-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNR
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BU of 7mnr by Molmil
Crystal Structure of the ZnF3 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNS
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BU of 7mns by Molmil
Crystal Structure of the ZnF4 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNV
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BU of 7mnv by Molmil
Crystal Structure of the ZnF8 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
Descriptor: E3 SUMO-protein ligase RanBP2, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022

222415

數據於2024-07-10公開中

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