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6IEV
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BU of 6iev by Molmil
Crystal structure of a designed protein
Descriptor: Designed protein
Authors:Han, M, Liao, S, Chen, Q, Liu, H.
Deposit date:2018-09-17
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Selection and analyses of variants of a designed protein suggest importance of hydrophobicity of partially buried sidechains for protein stability at high temperatures.
Protein Sci., 28, 2019
8IG5
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BU of 8ig5 by Molmil
Crystal structure of SARS main protease in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG6
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BU of 8ig6 by Molmil
Crystal structure of MERS main protease in complex with GC376
Descriptor: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG8
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BU of 8ig8 by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Zeng, X.Y, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG7
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BU of 8ig7 by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Zeng, P, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG9
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BU of 8ig9 by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IGB
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BU of 8igb by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Li, W.W, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with GC376
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8J5U
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BU of 8j5u by Molmil
Crystal structure of Mycobacterium tuberculosis OppA complexed with an endogenous oligopeptide
Descriptor: Endogenous oligopeptide, Uncharacterized protein Rv1280c
Authors:Yang, X, Hu, T, Zhang, B, Rao, Z.
Deposit date:2023-04-24
Release date:2024-04-03
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
8J5S
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BU of 8j5s by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-catalytic intermediate state
Descriptor: Endogenous oligopeptide, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Yang, X, Hu, T, Zhang, B, Rao, Z.
Deposit date:2023-04-24
Release date:2024-04-03
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3 Å)
Cite:An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
8J5R
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BU of 8j5r by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the resting state
Descriptor: IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, Putative peptide transport permease protein Rv1283c, ...
Authors:Yang, X, Hu, T, Zhang, B, Rao, Z.
Deposit date:2023-04-24
Release date:2024-04-03
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
8J5T
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BU of 8j5t by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the catalytic intermediate state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Yang, X, Hu, T, Zhang, B, Rao, Z.
Deposit date:2023-04-24
Release date:2024-04-03
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
8J5Q
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BU of 8j5q by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-translocation state
Descriptor: Endogenous oligopeptide, IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, ...
Authors:Yang, X, Hu, T, Zhang, B, Rao, Z.
Deposit date:2023-04-24
Release date:2024-04-03
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
5UOY
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BU of 5uoy by Molmil
Crystal structure of human PDE1B catalytic domain in complex with inhibitor 16j (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one)
Descriptor: 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K.
Deposit date:2017-02-01
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
5UWF
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BU of 5uwf by Molmil
Crystal structure of human PDE10A in complex with inhibitor 16d
Descriptor: 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K.
Deposit date:2017-02-21
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
5UP0
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BU of 5up0 by Molmil
Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one)
Descriptor: 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K.
Deposit date:2017-02-01
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
7E6R
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BU of 7e6r by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.6
Descriptor: 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2021-02-23
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6L
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BU of 7e6l by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.0
Descriptor: 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-02-22
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78037143 Å)
Cite:Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6M
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BU of 7e6m by Molmil
Crystal structure of Human coronavirus NL63 3C-like protease
Descriptor: 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2021-02-22
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83445024 Å)
Cite:Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6N
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BU of 7e6n by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.2
Descriptor: 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-02-22
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8413 Å)
Cite:Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
5X5L
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BU of 5x5l by Molmil
Crystal structure of response regulator AdeR DNA binding domain in complex with an intercistronic region
Descriptor: AdeR, DNA (5'-D(P*TP*AP*AP*AP*GP*TP*GP*TP*GP*GP*AP*GP*TP*AP*AP*GP*TP*GP*TP*GP*GP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*CP*CP*AP*CP*AP*CP*TP*TP*AP*CP*TP*CP*CP*AP*CP*AP*CP*TP*TP*TP*A)-3')
Authors:Wen, Y.
Deposit date:2017-02-16
Release date:2017-08-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanistic insight into how multidrug resistant Acinetobacter baumannii response regulator AdeR recognizes an intercistronic region.
Nucleic Acids Res., 45, 2017
8J00
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BU of 8j00 by Molmil
Human KCNQ2-CaM in complex with CBD
Descriptor: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol
Authors:Ma, D, Li, X, Guo, J.
Deposit date:2023-04-09
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
8IZY
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BU of 8izy by Molmil
Human KCNQ2-CaM in complex with HN37
Descriptor: Potassium voltage-gated channel subfamily KQT member 2, methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate
Authors:Ma, D, Li, X, Guo, J.
Deposit date:2023-04-09
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
8J04
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BU of 8j04 by Molmil
Human KCNQ2-CaM-HN37 complex in the presence of PIP2
Descriptor: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate
Authors:Ma, D, Li, X, Guo, J.
Deposit date:2023-04-09
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
8J05
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BU of 8j05 by Molmil
Human KCNQ2-CaM complex in the presence of PIP2
Descriptor: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Li, X, Guo, J.
Deposit date:2023-04-09
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023

238582

数据于2025-07-09公开中

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