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7X7W
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BU of 7x7w by Molmil
The X-ray Crystallographic Structure of D-Psicose 3-epimerase from Clostridia bacterium
Descriptor: D-PSICOSE 3-EPIMERASE, MANGANESE (II) ION
Authors:Li, Z.F, Ban, X.F, Xie, X.F, Tian, Y.X, Li, C.M, Gu, Z.B.
Deposit date:2022-03-10
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Crystal structure of a novel homodimeric D-allulose 3-epimerase from a Clostridia bacterium
Acta Crystallogr.,Sect.D, 78, 2022
7XB5
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BU of 7xb5 by Molmil
Structure of the ligand-binding domain of S. cerevisiae Upc2 in fusion with T4 lysozyme
Descriptor: fusion protein of Sterol uptake control protein 2 and Endolysin
Authors:Tan, L, Im, Y.J.
Deposit date:2022-03-20
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:Structural basis for activation of fungal sterol receptor Upc2 and azole resistance.
Nat.Chem.Biol., 18, 2022
7XS4
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BU of 7xs4 by Molmil
Crystal structure of URT1 in complex with AAAU RNA
Descriptor: RNA (5'-R(*AP*AP*AP*U)-3'), UTP:RNA uridylyltransferase 1
Authors:Hu, Q, Zhu, L.R, lv, M.Q, Gong, Q.G.
Deposit date:2022-05-12
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.846 Å)
Cite:Molecular mechanism underlying the di-uridylation activity of Arabidopsis TUTase URT1.
Nucleic Acids Res., 50, 2022
7CR2
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BU of 7cr2 by Molmil
human KCNQ2 in complex with retigabine
Descriptor: Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR7
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BU of 7cr7 by Molmil
human KCNQ2-CaM in complex with retigabine
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR0
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BU of 7cr0 by Molmil
human KCNQ2 in apo state
Descriptor: Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR3
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BU of 7cr3 by Molmil
human KCNQ2-CaM in apo state
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR4
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BU of 7cr4 by Molmil
human KCNQ2-CaM in complex with ztz240
Descriptor: Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7D0Q
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BU of 7d0q by Molmil
Crystal structure of human HBO1-BRPF2 in complex with butyryl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Butyryl Coenzyme A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0P
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BU of 7d0p by Molmil
Crystal structure of human HBO1-BRPF2 in complex with propionyl-coenzyme A
Descriptor: BRD1 protein, CHLORIDE ION, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0O
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BU of 7d0o by Molmil
Crystal structure of human HBO1-BRPF2 in apo form
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0S
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BU of 7d0s by Molmil
Crystal structure of human HBO1-BRPF2 in complex with succinyl-coenzyme A
Descriptor: BRD1 protein, Histone acetyltransferase KAT7, SUCCINYL-COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0R
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BU of 7d0r by Molmil
Crystal structure of human HBO1-BRPF2 in complex with crotonoyl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, CROTONYL COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
Descriptor: Main Protease
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAK
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BU of 7bak by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAL
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BU of 7bal by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen derivative of MR6-31-2
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7CR1
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BU of 7cr1 by Molmil
human KCNQ2 in complex with ztz240
Descriptor: N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7BPK
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BU of 7bpk by Molmil
Zika virus envelope protein mutant bound to mAb
Descriptor: Envelope protein, IG c307_light_IGLV1-51_IGLJ2, Z3L1 Heavy chain
Authors:Dai, L, Qi, J, Gao, G.F.
Deposit date:2020-03-23
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
7BQ5
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BU of 7bq5 by Molmil
ZIKV sE bound to mAb Z6
Descriptor: Z6 Light Chain, Z6 heavy chain, envelope protein
Authors:Dai, L, Qi, J, Gao, G.F.
Deposit date:2020-03-24
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
7FAJ
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BU of 7faj by Molmil
CARM1 bound with compound 43
Descriptor: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
Authors:Cao, D.Y, Li, J, Xiong, B.
Deposit date:2021-07-06
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2450726 Å)
Cite:Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
7FAI
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BU of 7fai by Molmil
CARM1 bound with compound 9
Descriptor: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
Authors:Cao, D.Y, Li, J, Xiong, B.
Deposit date:2021-07-06
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09749269 Å)
Cite:Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
6CE8
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BU of 6ce8 by Molmil
Crystal structure of fragment 2-(Benzo[d]thiazol-2-yl)acetic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: (1,3-benzothiazol-2-yl)acetic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-11
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6CEC
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BU of 6cec by Molmil
Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-11
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6CEF
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BU of 6cef by Molmil
Crystal structure of fragment 3-(1,3-Benzothiazol-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-(1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-11
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6CEA
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BU of 6cea by Molmil
Crystal structure of fragment 3-(quinolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-(quinolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-11
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018

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数据于2024-07-24公开中

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