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5GSO
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BU of 5gso by Molmil
Crystal Structures of EV71 3C Protease in complex with NK-1.8k
Descriptor: 3C protein, ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Wang, Y.
Deposit date:2016-08-16
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Enterovirus 71 3C Protease in Complex with NK-1.8k and Indications for the Development of Antienterovirus Protease Inhibitor
Antimicrob. Agents Chemother., 61, 2017
3LJQ
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BU of 3ljq by Molmil
Crystal Structure of the Glycosylasparaginase T152C apo-precursor
Descriptor: GLYCINE, N(4)-(Beta-N-acetylglucosaminyl)-L-asparaginase, SODIUM ION
Authors:Wang, Y, Guo, H.-C.
Deposit date:2010-01-26
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic snapshot of glycosylasparaginase precursor poised for autoprocessing.
J.Mol.Biol., 403, 2010
3HVR
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BU of 3hvr by Molmil
Crystal structure of T. thermophilus Argonaute complexed with DNA guide strand and 19-nt RNA target strand with two Mg2+ at the cleavage site
Descriptor: 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*TP*GP*AP*TP*AP*GP*T)-3', 5'-R(*UP*AP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*AP*CP*CP*UP*CP*G)-3', Argonaute, ...
Authors:Wang, Y, Li, H, Sheng, G, Patel, D.J.
Deposit date:2009-06-16
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.211 Å)
Cite:Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes.
Nature, 461, 2009
3HM9
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BU of 3hm9 by Molmil
Crystal structure of T. thermophilus Argonaute complexed with DNA guide strand and 19-nt RNA target strand
Descriptor: 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', 5'-R(*UP*AP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*AP*CP*CP*UP*CP*G)-3', Argonaute, ...
Authors:Wang, Y, Li, H, Sheng, G, Patel, D.J.
Deposit date:2009-05-28
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes.
Nature, 461, 2009
3HXM
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BU of 3hxm by Molmil
Structure of an argonaute complexed with guide DNA and target RNA duplex containing two mismatches.
Descriptor: Argonaute, DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Wang, Y, Li, H, Sheng, G, Patel, D.J.
Deposit date:2009-06-21
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes.
Nature, 461, 2009
2FSZ
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BU of 2fsz by Molmil
A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen receptor beta
Authors:Wang, Y.
Deposit date:2006-01-23
Release date:2006-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta
Proc.Natl.Acad.Sci.Usa, 103, 2006
4FAF
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BU of 4faf by Molmil
Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Descriptor: HIV-1 protease, substrate CA/p2 peptide
Authors:Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
Deposit date:2012-05-22
Release date:2012-08-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
4FAE
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BU of 4fae by Molmil
Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Descriptor: HIV-1 protease, Substrate p2/NC peptide
Authors:Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
Deposit date:2012-05-22
Release date:2012-08-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
2GL9
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BU of 2gl9 by Molmil
Crystal Structure of Glycosylasparaginase-Substrate Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARAGINE, Glycosylasparaginase alpha chain, ...
Authors:Wang, Y, Guo, H.C.
Deposit date:2006-04-04
Release date:2007-02-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic snapshot of a productive glycosylasparaginase-substrate complex.
J.Mol.Biol., 366, 2007
2H52
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BU of 2h52 by Molmil
Crystal structure of human bisphosphoglycerate mutase complex with 3-phosphoglycerate (18 days)
Descriptor: 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase, CYCLOHEXYLAMMONIUM ION
Authors:Wang, Y, Gong, W.
Deposit date:2006-05-25
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase
To be Published
4XCH
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BU of 4xch by Molmil
S-ribosylhomocysteinase from Streptococcus suis
Descriptor: S-ribosylhomocysteine lyase, ZINC ION
Authors:Wang, Y, Mao, X, Lu, C.
Deposit date:2014-12-18
Release date:2015-06-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of LuxS from Streptococcus suis
To Be Published
4X3P
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BU of 4x3p by Molmil
Sirt2 in complex with a myristoyl peptide
Descriptor: 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Wang, Y, Zhang, W, Hao, Q.
Deposit date:2014-12-01
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
4X3O
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BU of 4x3o by Molmil
Sirt2 in complex with a myristoyl peptide
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
Authors:Wang, Y, Zhang, W.Z, Hao, Q.
Deposit date:2014-12-01
Release date:2016-01-13
Last modified:2022-04-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
5H74
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BU of 5h74 by Molmil
Crystal structure of T2R-TTL-14b complex
Descriptor: (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2016-11-17
Release date:2017-11-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Activity Relationship Studies of Tubulysin Analogues: Anticancer N-Alkyltubulysins with Subpicomolar Activity and the Crystal Structure Binding to Tubulin
To Be Published
6BLQ
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BU of 6blq by Molmil
Crystal Structure of IAg7 in complex with insulin mimotope p8E9E
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Dai, S.
Deposit date:2017-11-11
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BLX
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BU of 6blx by Molmil
Crystal structure of IAg7 in complex with insulin mimotope p8G9E
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Dai, S.
Deposit date:2017-11-11
Release date:2017-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BLR
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BU of 6blr by Molmil
Crystal Structure of IAg7 in complex with insulin mimotope p8E9E6SS
Descriptor: 1,2-ETHANEDIOL, H2-Ab1 protein, IAg7 alpha chain
Authors:Wang, Y, Dai, S.
Deposit date:2017-11-11
Release date:2017-12-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6M5F
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BU of 6m5f by Molmil
Crystal structure of HinK, a LysR family transcriptional regulator from Pseudomonas aeruginosa
Descriptor: Probable transcriptional regulator
Authors:Wang, Y, Lan, L, Cao, Q, Gan, J, Wang, F.
Deposit date:2020-03-10
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of HinK, a LysR family transcriptional regulator from Pseudomonas aeruginosa
To Be Published
8H6R
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BU of 8h6r by Molmil
LW Domain of Arabidopsis thaliana TFIIS
Descriptor: Transcription elongation factor TFIIS
Authors:Wang, Y.
Deposit date:2022-10-18
Release date:2022-11-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:LW Domain of Arabidopsis thaliana TFIIS
To Be Published
6DFX
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BU of 6dfx by Molmil
human diabetogenic TCR T1D3 in complex with DQ8-p8E9E peptide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Dai, S.
Deposit date:2018-05-15
Release date:2019-04-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
7KRB
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BU of 7krb by Molmil
Solution Structure of the Dysferlin C2A Domain in its Calcium-bound State
Descriptor: Isoform 15 of Dysferlin
Authors:Wang, Y, Mercier, P, Santamaria, L, Shaw, G.S.
Deposit date:2020-11-19
Release date:2021-01-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner.
Biochem.J., 478, 2021
7KQR
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BU of 7kqr by Molmil
A 1.89-A resolution substrate-bound crystal structure of heme-dependent tyrosine hydroxylase from S. sclerotialus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heme-dependent L-tyrosine hydroxylase, ...
Authors:Wang, Y, Shin, I, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
7KQS
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BU of 7kqs by Molmil
A 1.68-A resolution 3-fluoro-L-tyrosine bound crystal structure of heme-dependent tyrosine hydroxylase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ...
Authors:Wang, Y, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.677 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
7KQU
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BU of 7kqu by Molmil
A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ...
Authors:Wang, Y, Davis, I, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
7KQT
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BU of 7kqt by Molmil
A 1.84-A resolution crystal structure of heme-dependent L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine and cyanide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, CYANIDE ION, ...
Authors:Wang, Y, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.835 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021

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