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PDB: 36 件
5BTR
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Crystal structure of SIRT1 in complex with resveratrol and an AMC-containing peptide
分子名称: AMC-containing peptide, NAD-dependent protein deacetylase sirtuin-1, RESVERATROL, ...
著者Cao, D, Wang, M, Qiu, X, Liu, D, Jiang, H, Yang, N, Xu, R.M.
登録日2015-06-03
公開日2015-07-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for allosteric, substrate-dependent stimulation of SIRT1 activity by resveratrol
Genes Dev., 29, 2015
8WIU
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BU of 8wiu by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-09-25
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
6UEN
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BU of 6uen by Molmil
Cryo-EM structure of the respiratory syncytial virus RNA polymerase
分子名称: RNA-directed RNA polymerase L, the phosphoprotein (P) of human respiratory syncytial virus
著者Cao, D, Gao, Y, Liang, B.
登録日2019-09-22
公開日2020-01-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Cryo-EM structure of the respiratory syncytial virus RNA polymerase.
Nat Commun, 11, 2020
8SNX
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BU of 8snx by Molmil
Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the leader promoter
分子名称: Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*GP*CP*GP*U)-3'), RNA-directed RNA polymerase L
著者Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B.
登録日2023-04-28
公開日2023-12-20
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of the promoter-bound respiratory syncytial virus polymerase.
Nature, 625, 2024
8SNY
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BU of 8sny by Molmil
Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the trailer complementary promoter
分子名称: Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*UP*CP*GP*U)-3'), RNA-directed RNA polymerase L
著者Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B.
登録日2023-04-28
公開日2023-12-20
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Structures of the promoter-bound respiratory syncytial virus polymerase.
Nature, 625, 2024
8IHP
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BU of 8ihp by Molmil
Structure of Semliki Forest virus VLP in complex with the receptor VLDLR-LA3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ...
著者Cao, D, Ma, B, Cao, Z, Zhang, X, Xiang, Y.
登録日2023-02-23
公開日2023-04-12
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of Semliki Forest virus in complex with its receptor VLDLR.
Cell, 186, 2023
7XY4
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BU of 7xy4 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with VHH21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VHH21
著者Cao, D, Fan, X, Zhang, X.
登録日2022-05-31
公開日2023-09-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Identification of nano-abzymes to catalyze the spike-trimer of SARS-CoV-2
To Be Published
7XY3
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BU of 7xy3 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with VHH14
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VHH14
著者Cao, D, Fan, X, Zhang, X.
登録日2022-05-31
公開日2023-09-13
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Identification of nano-abzymes to catalyze the spike-trimer of SARS-CoV-2
To Be Published
8IBQ
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BU of 8ibq by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-02-10
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
8IDH
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Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-02-13
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
7CCR
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BU of 7ccr by Molmil
Structure of the 2:2 cGAS-nucleosome complex
分子名称: Cyclic GMP-AMP synthase, DNA (147-MER), Histone H2A type 1-B/E, ...
著者Cao, D, Han, X, Fan, X, Xu, R.M, Zhang, X.
登録日2020-06-17
公開日2020-10-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural basis for nucleosome-mediated inhibition of cGAS activity.
Cell Res., 30, 2020
7CCQ
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BU of 7ccq by Molmil
Structure of the 1:1 cGAS-nucleosome complex
分子名称: Cyclic GMP-AMP synthase, DNA (147-MER), Histone H2A type 1-B/E, ...
著者Cao, D, Han, X, Fan, X, Xu, R.M, Zhang, X.
登録日2020-06-17
公開日2020-10-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for nucleosome-mediated inhibition of cGAS activity.
Cell Res., 30, 2020
7WC5
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BU of 7wc5 by Molmil
Crystal structure of serotonin 2A receptor in complex with psilocin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC6
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BU of 7wc6 by Molmil
Crystal structure of serotonin 2A receptor in complex with LSD
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC9
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BU of 7wc9 by Molmil
Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog
分子名称: (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC7
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BU of 7wc7 by Molmil
Crystal structure of serotonin 2A receptor in complex with lisuride
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC8
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BU of 7wc8 by Molmil
Crystal structure of serotonin 2A receptor in complex with lumateperone
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC4
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BU of 7wc4 by Molmil
Crystal structure of serotonin 2A receptor in complex with serotonin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7X6T
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BU of 7x6t by Molmil
Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
分子名称: (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Xiong, B.
登録日2022-03-08
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
To Be Published
6KHI
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BU of 6khi by Molmil
Supercomplex for cylic electron transport in cyanobacteria
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Pan, X, Cao, D, Xie, F, Zhang, X, Li, M.
登録日2019-07-15
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
6PZQ
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BU of 6pzq by Molmil
Structure of the human respiratory syncytial virus M2-1 protein in complex with a short positive-sense gene-end RNA
分子名称: Matrix M2-1, RNA (5'-R(P*GP*UP*UP*AP*AP*U)-3'), ZINC ION
著者Gao, Y, Cao, D, Liang, B.
登録日2019-08-01
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Structure of the Human Respiratory Syncytial Virus M2-1 Protein in Complex with a Short Positive-Sense Gene-End RNA.
Structure, 28, 2020
6KHJ
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BU of 6khj by Molmil
Supercomplex for electron transfer
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Pan, X, Cao, D, Xie, F, Zhang, X, Li, M.
登録日2019-07-15
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
6LIH
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BRD4 BD1 bound with compound 10
分子名称: (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D.
登録日2019-12-11
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62030542 Å)
主引用文献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
分子名称: (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
著者Xiong, B, Cao, D, Li, Y.
登録日2019-12-12
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75909507 Å)
主引用文献BRD4-BD1 bound with compound 40
To Be Published
6M3W
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BU of 6m3w by Molmil
Post-fusion structure of SARS-CoV spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Fan, X, Cao, D, Zhang, X.
登録日2020-03-04
公開日2020-06-03
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM analysis of the post-fusion structure of the SARS-CoV spike glycoprotein.
Nat Commun, 11, 2020

 

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