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PDB: 677 results

4J9O
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BU of 4j9o by Molmil
Human DNA polymerase eta-DNA ternary complex: primer extension after a T:G mispair
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*T*AP*CP*GP*TP*CP*AP*TP*G)-3'), ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
4J9Q
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BU of 4j9q by Molmil
Human DNA polymerase eta-DNA postinsertion binary complex with TG mispair
Descriptor: DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*TP*G)-3'), DNA (5'-D(*TP*C*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
5DTO
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BU of 5dto by Molmil
Dengue virus full length NS5 complexed with viral Cap 0-RNA and SAH
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ACETATE ION, MAGNESIUM ION, ...
Authors:Zhao, Y, Soh, T.S, Lim, S.P, Chung, K.Y, Swaminathan, K, Vasudevan, S.G, Shi, P.-Y, Lescar, J, Luo, D.
Deposit date:2015-09-18
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Molecular basis for specific viral RNA recognition and 2'-O-ribose methylation by the dengue virus nonstructural protein 5 (NS5)
Proc.Natl.Acad.Sci.USA, 112, 2015
2MQS
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BU of 2mqs by Molmil
Transient Collagen Triple Helix Binding to a Key Metalloproteinase in Invasion and Development: Spin Labels to Structure
Descriptor: Matrix metalloproteinase-14, THP_L_and_M_chain, THP_T_chain
Authors:Zhao, Y, Marcink, T, Van Doren, S.R.
Deposit date:2014-06-26
Release date:2015-02-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Transient collagen triple helix binding to a key metalloproteinase in invasion and development.
Structure, 23, 2015
2Q6N
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BU of 2q6n by Molmil
Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole
Descriptor: 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhao, Y, Sun, L, Muralidhara, B.K, Kumar, S, White, M.A, Stout, C.D, Halpert, J.R.
Deposit date:2007-06-05
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4.
Biochemistry, 46, 2007
8JCL
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BU of 8jcl by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 52
Descriptor: 3-ethanoyl-N-phenyl-benzamide, 3C-like proteinase nsp5, HYDROSULFURIC ACID
Authors:Zhao, Y, Zhu, Y, Rao, Z.
Deposit date:2023-05-11
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with Compound 52
To Be Published
8JCO
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BU of 8jco by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 65
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, methyl (2S)-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate
Authors:Zhao, Y, Zhu, Y, Rao, Z.
Deposit date:2023-05-11
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with Compound 65
To Be Published
8JCK
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BU of 8jck by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 32
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhao, Y, Zhu, Y, Rao, Z.
Deposit date:2023-05-11
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with Compound 32
To Be Published
8JCJ
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BU of 8jcj by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 18
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhao, Y, Zhu, Y, Rao, Z.
Deposit date:2023-05-11
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with Compound 18
To Be Published
8JCN
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BU of 8jcn by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 58
Descriptor: 1-[3-(diphenoxyphosphorylamino)phenyl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Zhu, Y, Rao, Z.
Deposit date:2023-05-11
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with Compound 58
To Be Published
8JCM
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BU of 8jcm by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 55
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, HYDROSULFURIC ACID, ...
Authors:Zhao, Y, Zhu, Y, Rao, Z.
Deposit date:2023-05-11
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with Compound 55
To Be Published
8H3T
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BU of 8h3t by Molmil
The crystal structure of AlpH
Descriptor: AlpH, GLYCEROL
Authors:Zhao, Y, Li, M, Jiang, M, Pan, L.F.
Deposit date:2022-10-09
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:O-methyltransferase-like enzyme catalyzed diazo installation in polyketide biosynthesis.
Nat Commun, 14, 2023
7VH8
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BU of 7vh8 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Zhao, Y, Zhang, Q, Yang, H, Rao, Z.
Deposit date:2021-09-21
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332.
Protein Cell, 13, 2022
8EG6
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BU of 8eg6 by Molmil
huCaspase-6 in complex with inhibitor 2a
Descriptor: (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
Deposit date:2022-09-11
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
8EG5
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BU of 8eg5 by Molmil
huCaspase-6 in complex with inhibitor 3a
Descriptor: (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ...
Authors:Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
Deposit date:2022-09-11
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
5ZG9
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BU of 5zg9 by Molmil
Crystal structure of MoSub1-ssDNA complex in phosphate buffer
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*G)-3'), MoSub1, PHOSPHATE ION
Authors:Zhao, Y, Huang, J, Liu, H, Yi, L, Wang, S, Zhang, X, Liu, J.
Deposit date:2018-03-08
Release date:2019-03-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The effect of phosphate ion on the ssDNA binding mode of MoSub1, a Sub1/PC4 homolog from rice blast fungus.
Proteins, 87, 2019
7E6K
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BU of 7e6k by Molmil
Viral protease
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(2-phenoxyethyl)methanethioamide, ...
Authors:Zhao, Y, Zhang, Q, Yang, H.T, Rao, Z.H.
Deposit date:2021-02-22
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Viral protease
To be published
7X79
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BU of 7x79 by Molmil
The crystal structure of human Calpain-1 protease core in complex with 14b
Descriptor: CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ...
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2022-03-09
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
7W33
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BU of 7w33 by Molmil
The crystal structure of human CtsL in complex with 14a
Descriptor: N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2021-11-25
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:The crystal structure of human CtsL in complex with 14a
To Be Published
7W34
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BU of 7w34 by Molmil
The crystal structure of human CtsL in complex with 14b
Descriptor: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2021-11-25
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The crystal structure of human CtsL in complex with 14a
To Be Published
7W7O
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BU of 7w7o by Molmil
The crystal structure of human Calpain-1 protease core in complex with 14a
Descriptor: CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ...
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2021-12-06
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
7X31
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BU of 7x31 by Molmil
solution structure of an anti-CRISPR protein
Descriptor: Anti-CRISPR protein (AcrIIC1)
Authors:Zhao, Y, Yang, F.
Deposit date:2022-02-27
Release date:2022-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
7XR4
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BU of 7xr4 by Molmil
Structure of human excitatory amino acid transporter 2 (EAAT2) in complex with glutamate
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, Excitatory amino acid transporter 2, ...
Authors:Zhao, Y, Zhang, Z.
Deposit date:2022-05-09
Release date:2022-06-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of ligand binding modes of human EAAT2.
Nat Commun, 13, 2022
7XR6
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BU of 7xr6 by Molmil
Structure of human excitatory amino acid transporter 2 (EAAT2) in complex with WAY-213613
Descriptor: (2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Zhao, Y, Zhang, Z.
Deposit date:2022-05-09
Release date:2022-06-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of ligand binding modes of human EAAT2.
Nat Commun, 13, 2022
4UIS
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BU of 4uis by Molmil
The cryoEM structure of human gamma-Secretase complex
Descriptor: GAMMA-SECRETASE, LYSOZYME
Authors:Sun, L, Zhao, L, Yang, G, Yan, C, Zhou, R, Zhou, X, Xie, T, Zhao, Y, Wu, S, Li, X, Shi, Y.
Deposit date:2015-04-03
Release date:2015-06-10
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural Basis of Human Gamma-Secretase Assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015

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