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7WJS
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BU of 7wjs by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157
Descriptor: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-07
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WKY
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BU of 7wky by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153
Descriptor: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-12
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMU
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BU of 7wmu by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146
Descriptor: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-17
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WN5
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BU of 7wn5 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142
Descriptor: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-17
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNI
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BU of 7wni by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158
Descriptor: 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-18
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WLN
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BU of 7wln by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153
Descriptor: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-13
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNA
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BU of 7wna by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-17
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMQ
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BU of 7wmq by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157
Descriptor: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-16
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
8WTZ
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BU of 8wtz by Molmil
potassium outward rectifier channel SKOR
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR
Authors:Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G.
Deposit date:2023-10-19
Release date:2024-04-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel.
Plant Commun., 5, 2024
8WUI
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BU of 8wui by Molmil
SKOR D312N L271P double mutation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR
Authors:Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G.
Deposit date:2023-10-20
Release date:2024-04-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel.
Plant Commun., 5, 2024
8HYJ
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BU of 8hyj by Molmil
A cryo-EM structure of KTF1-bound polymerase V transcription elongation complex
Descriptor: DNA (48-MER), DNA-directed RNA polymerase V subunit 1, DNA-directed RNA polymerase V subunit 5A, ...
Authors:Zhang, H, Zhang, Y.
Deposit date:2023-01-06
Release date:2023-06-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:A cryo-EM structure of KTF1-bound polymerase V transcription elongation complex.
Nat Commun, 14, 2023
7V1U
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BU of 7v1u by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
Authors:Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y.
Deposit date:2021-08-06
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
7V9L
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BU of 7v9l by Molmil
Cryo-EM structure of the SV1-Gs complex.
Descriptor: GHRH receptor splice variant 1,GHRH receptor splice variant 1,GHRH receptor splice variant 1,SV1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Cheng, X, Yang, D.H, Wang, M.W.
Deposit date:2021-08-26
Release date:2022-04-06
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
6IEX
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BU of 6iex by Molmil
Crystal structure of HLA-B*4001 in complex with SARS-CoV derived peptide N216-225 GETALALLLL
Descriptor: Beta-2-microglobulin, GLY-GLU-THR-ALA-LEU-ALA-LEU-LEU-LEU-LEU, MHC class I antigen
Authors:Ji, W, Niu, L, Peng, W, Zhang, Y, Shi, Y, Qi, J, Gao, G.F, Liu, W.J.
Deposit date:2018-09-17
Release date:2019-09-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Salt bridge-forming residues positioned over viral peptides presented by MHC class I impacts T-cell recognition in a binding-dependent manner.
Mol.Immunol., 112, 2019
7Y0V
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BU of 7y0v by Molmil
The co-crystal structure of BA.1-RBD with Fab-5549
Descriptor: 5549-Fab, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Xiao, J.Y, Zhang, Y.
Deposit date:2022-06-06
Release date:2022-09-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7F0R
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BU of 7f0r by Molmil
Cryo-EM structure of Pseudomonas aeruginosa SutA transcription activation complex
Descriptor: DNA (70-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:He, D.W, You, L.L, Zhang, Y.
Deposit date:2021-06-06
Release date:2022-07-27
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Pseudomonas aeruginosa SutA wedges RNAP lobe domain open to facilitate promoter DNA unwinding.
Nat Commun, 13, 2022
3UAZ
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BU of 3uaz by Molmil
Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with inosine
Descriptor: GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ...
Authors:Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
Deposit date:2011-10-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
6LU8
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BU of 6lu8 by Molmil
Cryo-EM structure of a human pre-60S ribosomal subunit - state A
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Liang, X, Zuo, M, Zhang, Y, Li, N, Ma, C, Dong, M, Gao, N.
Deposit date:2020-01-26
Release date:2020-08-26
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural snapshots of human pre-60S ribosomal particles before and after nuclear export.
Nat Commun, 11, 2020
6LQM
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BU of 6lqm by Molmil
Cryo-EM structure of a pre-60S ribosomal subunit - state C
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Liang, X, Zuo, M, Zhang, Y, Li, N, Ma, C, Dong, M, Gao, N.
Deposit date:2020-01-14
Release date:2020-08-26
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural snapshots of human pre-60S ribosomal particles before and after nuclear export.
Nat Commun, 11, 2020
3UAV
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BU of 3uav by Molmil
Crystal structure of adenosine phosphorylase from Bacillus cereus
Descriptor: GLYCEROL, Purine nucleoside phosphorylase deoD-type, SULFATE ION
Authors:Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
Deposit date:2011-10-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
6IVM
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BU of 6ivm by Molmil
Crystal structure of a membrane protein P143A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6LSR
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BU of 6lsr by Molmil
Cryo-EM structure of a pre-60S ribosomal subunit - state B
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Liang, X, Zuo, M, Zhang, Y, Li, N, Ma, C, Dong, M, Gao, N.
Deposit date:2020-01-20
Release date:2020-08-26
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural snapshots of human pre-60S ribosomal particles before and after nuclear export.
Nat Commun, 11, 2020
6IVQ
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BU of 6ivq by Molmil
Crystal structure of a membrane protein S19A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
3SY4
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BU of 3sy4 by Molmil
Crystal structure of sulfide:quinone oxidoreductase Ser126Ala variant from Acidithiobacillus ferrooxidans
Descriptor: DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ...
Authors:Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H.
Deposit date:2011-07-15
Release date:2012-05-16
Last modified:2012-06-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
6IVK
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BU of 6ivk by Molmil
Crystal structure of a membrane protein G175A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019

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数据于2024-11-06公开中

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