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7F41
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BU of 7f41 by Molmil
PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE
Descriptor: 3-aminobenzamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39721382 Å)
Cite:PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE
To Be Published
7XAX
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BU of 7xax by Molmil
Crystal structure of SARS coronavirus main protease in complex with Baicalei
Descriptor: 3C-like proteinase nsp5, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
Authors:Zhou, X.L, Li, J, Zhang, J.
Deposit date:2022-03-19
Release date:2023-03-22
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of SARS-CoV 3C-like protease with baicalein.
Biochem.Biophys.Res.Commun., 611, 2022
7JI3
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BU of 7ji3 by Molmil
Cryo-EM structure of a proton-activated chloride channel
Descriptor: Proton-activated chloride channel
Authors:Deng, Z, Zhang, J, Yuan, P.
Deposit date:2020-07-22
Release date:2021-03-03
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Cryo-EM structure of a proton-activated chloride channel TMEM206.
Sci Adv, 7, 2021
7VVP
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BU of 7vvp by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J.
Deposit date:2021-11-07
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
7C2Y
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BU of 7c2y by Molmil
The crystal structure of COVID-2019 main protease in the apo state
Descriptor: 3C-like proteinase
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zhou, H, Hu, X.H, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-05-10
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:COVID-2019 main protease in the apo state
To Be Published
7WQJ
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BU of 7wqj by Molmil
Crystal structure of MERS main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2022-01-25
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
7XB3
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BU of 7xb3 by Molmil
Crystal structure of SARS-Cov-2 main protease D48N mutant
Descriptor: Replicase polyprotein 1a
Authors:Hu, X.H, Li, J, Zhang, J.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of SARS-Cov-2 main protease D48N mutant
To Be Published
7WQI
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BU of 7wqi by Molmil
Crystal structure of SARS coronavirus main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-01-25
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of SARS coronavirus main protease in complex with PF07304814
To Be Published
7DR9
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BU of 7dr9 by Molmil
Crystal structure of MERS-CoV 3CL protease (C148A) in spacegroup P212121
Descriptor: 3C-like proteinase
Authors:Zhong, F.L, Lin, C, Zhang, J, Li, J.
Deposit date:2020-12-27
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.775871 Å)
Cite:Crystal structure of MERS-CoV 3CL protease (C148A) in spacegroup P212121
To Be Published
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
7WQH
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BU of 7wqh by Molmil
Crystal structure of HCoV-NL63 main protease with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Zhong, F.L, Zhou, X.L, Lin, C, Zeng, P, Li, J, Zhang, J.
Deposit date:2022-01-25
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
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
7XRY
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BU of 7xry by Molmil
Crystal structure of MERS 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, ORF1a
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2022-05-12
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
7E8L
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BU of 7e8l by Molmil
The structure of Spodoptera litura chemosensory protein
Descriptor: Putative chemosensory protein CSP8
Authors:Xie, W, Jia, Q, Zeng, H, Xiao, N, Tang, J, Gao, S, Zhang, J.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of the Spodoptera litura Chemosensory Protein CSP8.
Insects, 12, 2021
8J25
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BU of 8j25 by Molmil
Crystal structure of PML B-box2 mutant
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhou, C, Zang, N, Zhang, J.
Deposit date:2023-04-14
Release date:2023-09-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
8J2P
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BU of 8j2p by Molmil
Crystal structure of PML B-box2
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhou, C, Zang, N, Zhang, J.
Deposit date:2023-04-15
Release date:2023-09-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
7F6M
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BU of 7f6m by Molmil
Crystal structure of APC complexed with a peptide inhibitor MAI-516
Descriptor: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Song, K, Zhang, J.
Deposit date:2021-06-25
Release date:2022-06-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Efficient Adenomatous Polyposis Coli - Rho Guanine Nucleotide Exchange Factor 4 Inhibitors by Employing High Binding Affinity Tracer
To Be Published
7F7O
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BU of 7f7o by Molmil
APC-Asef FP assay tracer
Descriptor: Adenomatous polyposis coli protein, N-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide, Tracer 7
Authors:Yang, X, Zhang, J.
Deposit date:2021-06-30
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The tracer of FP assay for screening APC-Asef inhbitors
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
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
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
7Y72
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BU of 7y72 by Molmil
SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 (focused refinement on Fab-RBD interface)
Descriptor: Fab E7 heavy chain, Fab E7 light chain, Spike glycoprotein
Authors:Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F.
Deposit date:2022-06-21
Release date:2023-08-02
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
7Y71
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BU of 7y71 by Molmil
SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab E7 heavy chain, ...
Authors:Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F.
Deposit date:2022-06-21
Release date:2023-08-02
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
7D6L
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BU of 7d6l by Molmil
Crystal structure of Trx2 from D. radiodurans R1
Descriptor: Thioredoxin 2, ZINC ION
Authors:Kim, M.-K, Zhang, J, Zhao, L.
Deposit date:2020-09-30
Release date:2021-10-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Structural and Biochemical Characterization of Thioredoxin-2 from Deinococcus radiodurans.
Antioxidants, 10, 2021
7DKA
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BU of 7dka by Molmil
Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, C24S mutant protein
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, M.-K, Zhang, J, Zhao, L.
Deposit date:2020-11-23
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of DsbA-like protein DR2335 from Deinococcus radiodurans R1, native protein
To Be Published

226262

数据于2024-10-16公开中

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