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7XRS
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BU of 7xrs by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53
Descriptor: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1a
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-05-11
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
7YGQ
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BU of 7ygq by Molmil
Crystal structure of SARS main protease in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-07-12
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
7X2E
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BU of 7x2e by Molmil
Structure of USH1C PDZ2 and coiled-coil in complex with CDHR2 C-terminal tail
Descriptor: Cadherin-related family member 2, GLYCEROL, Harmonin
Authors:Yan, W, Chen, G, Li, J.
Deposit date:2022-02-25
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the Harmonin PDZ2 and coiled-coil domains in a complex with CDHR2 tail and its implications.
Faseb J., 36, 2022
7YFV
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BU of 7yfv by Molmil
Structure of Rpgrip1l CC1
Descriptor: Protein fantom
Authors:He, R, Chen, G, Li, Z, Li, J.
Deposit date:2022-07-09
Release date:2023-05-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the N-terminal coiled-coil domains of the ciliary protein Rpgrip1l.
Iscience, 26, 2023
7YFU
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BU of 7yfu by Molmil
Structure of Rpgrip1l CC2
Descriptor: Protein fantom
Authors:He, R, Chen, G, Li, Z, Li, J.
Deposit date:2022-07-09
Release date:2023-05-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the N-terminal coiled-coil domains of the ciliary protein Rpgrip1l.
Iscience, 26, 2023
7EKV
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BU of 7ekv by Molmil
Crystal Structure of human Pin1 complexed with a covalent inhibitor
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J.
Deposit date:2021-04-06
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7EFJ
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BU of 7efj by Molmil
Crystal Structure Analysis of human PIN1
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J.
Deposit date:2021-03-21
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7F4G
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BU of 7f4g by Molmil
Structure of RPAP2-bound RNA polymerase II
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Chen, X, Qi, Y, Wang, X, Li, J, Zhao, D, Xu, Y.
Deposit date:2021-06-18
Release date:2021-07-07
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:RPAP2 regulates a transcription initiation checkpoint by inhibiting assembly of pre-initiation complex.
Cell Rep, 39, 2022
7X8O
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BU of 7x8o by Molmil
NMR Solution Structure of the 2:1 Coptisine-KRAS-G4 Complex
Descriptor: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (24-MER)
Authors:Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y.
Deposit date:2022-03-14
Release date:2022-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
7X8N
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BU of 7x8n by Molmil
NMR Solution Structure of the Wild-type Bulge-containing KRAS-G4
Descriptor: DNA (24-mer)
Authors:Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y.
Deposit date:2022-03-14
Release date:2022-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
7X8M
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BU of 7x8m by Molmil
NMR Solution Structure of the 2:1 Berberine-KRAS-G4 Complex
Descriptor: BERBERINE, DNA (24-MER)
Authors:Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y.
Deposit date:2022-03-14
Release date:2022-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
7FJ2
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BU of 7fj2 by Molmil
Structure of FOXM1 homodimer bound to a palindromic DNA site
Descriptor: DNA (5'-D(*AP*CP*CP*GP*TP*AP*AP*AP*CP*AP*TP*GP*TP*TP*TP*AP*CP*GP*GP*T)-3'), Forkhead box protein M1
Authors:Dai, S.Y, Li, J, Zhang, H.J.
Deposit date:2021-08-02
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Mechanistic Insights into the Preference for Tandem Binding Sites in DNA Recognition by FOXM1.
J.Mol.Biol., 434, 2021
7F0M
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BU of 7f0m by Molmil
Crystal Structure of human Pin1 complexed with a potent covalent inhibitor
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J.
Deposit date:2021-06-05
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7EMF
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BU of 7emf by Molmil
Human Mediator (deletion of MED1-IDR) in a Tail-extended conformation
Descriptor: Isoform 2 of Mediator of RNA polymerase II transcription subunit 16, Isoform 2 of Mediator of RNA polymerase II transcription subunit 8, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Yin, X, Li, J, Wu, Z, Liu, W, Xu, Y.
Deposit date:2021-04-13
Release date:2021-05-05
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
7ENJ
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BU of 7enj by Molmil
Human Mediator (deletion of MED1-IDR) in a Tail-bent conformation (MED-B)
Descriptor: Isoform 2 of Mediator of RNA polymerase II transcription subunit 8, Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, ...
Authors:Yin, X, Li, J, Wu, Z, Liu, W, Xu, Y.
Deposit date:2021-04-17
Release date:2021-05-19
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
7ENA
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BU of 7ena by Molmil
TFIID-based PIC-Mediator holo-complex in pre-assembled state (pre-hPIC-MED)
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y.
Deposit date:2021-04-16
Release date:2021-05-26
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
7ENC
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BU of 7enc by Molmil
TFIID-based PIC-Mediator holo-complex in fully-assembled state (hPIC-MED)
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y.
Deposit date:2021-04-16
Release date:2021-05-26
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (4.13 Å)
Cite:Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
7WWS
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BU of 7wws by Molmil
Structure of a triple-helix region of human collagen type III from Trautec
Descriptor: Collagen alpha-1(III) chain
Authors:Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y.
Deposit date:2022-02-14
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a triple-helix region of human collagen type III from Trautec
To Be Published
7WWR
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BU of 7wwr by Molmil
Structure of a triple-helix region of human collagen type III from Trautec
Descriptor: Collagen alpha-1(III) chain
Authors:Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y.
Deposit date:2022-02-14
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a triple-helix region of human collagen type III from Trautec
To Be Published
7XAN
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BU of 7xan by Molmil
Structure of a triple-helix region of human collagen type III from Trautec
Descriptor: Collagen alpha-1(III) chain
Authors:Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y.
Deposit date:2022-03-18
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a triple-helix region of human collagen type III from Trautec
To Be Published
7EFX
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BU of 7efx by Molmil
Crystal Structure of human PIN1 complexed with covalent inhibitor
Descriptor: 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J, Zhu, R, Pei, Y.
Deposit date:2021-03-23
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7VBF
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BU of 7vbf by Molmil
1.3 Angstrom Resolution Crystal Structure of SARS-CoV-2 Nucleocapsid dimerization domain, pH 8.5
Descriptor: Nucleoprotein
Authors:Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-08-31
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:1.3 Angstrom Resolution Crystal Structure of SARS-CoV-2 Nucleocapsid dimerization domain, pH 8.5
To Be Published
7VBD
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BU of 7vbd by Molmil
Crystal structure of SARS-Cov-2 nucleocapsid N-terminal domain (NTD) protein,pH8.0
Descriptor: Nucleoprotein
Authors:Zeng, P, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-08-31
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of SARS-Cov-2 nucleocapsid N-terminal domain (NTD) protein,pH8.0
To Be Published
7VBE
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BU of 7vbe by Molmil
1.6 Angstrom Resolution Crystal Structure of SARS-CoV-2 Nucleocapsid dimerization domain, pH 5.0
Descriptor: Nucleoprotein
Authors:Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-08-31
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:1.6 Angstrom Resolution Crystal Structure of SARS-CoV-2 Nucleocapsid dimerization domain, pH 5.0
To Be Published
6J17
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BU of 6j17 by Molmil
ATPase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ESX-3 secretion system protein EccC3, MAGNESIUM ION
Authors:Wang, S.H, Li, J, Rao, Z.H.
Deposit date:2018-12-28
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020

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