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PDB: 1554 results

2QD6
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HIV-1 Protease Mutant I50V with potent Antiviral inhibitor GRL-98065
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, ACETATE ION, CHLORIDE ION, ...
Authors:Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T.
Deposit date:2007-06-20
Release date:2008-04-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
5DMK
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BU of 5dmk by Molmil
Crystal Structure of IAg7 in complex with RLGL-WE14
Descriptor: CITRATE ANION, H-2 class II histocompatibility antigen, A-D alpha chain, ...
Authors:Wang, Y, Jin, N, Dai, S, Kappler, J.W.
Deposit date:2015-09-08
Release date:2015-10-28
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:N-terminal additions to the WE14 peptide of chromogranin A create strong autoantigen agonists in type 1 diabetes.
Proc.Natl.Acad.Sci.USA, 112, 2015
5ZQ4
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PDE-Ubi-ADPr
Descriptor: ADENOSINE MONOPHOSPHATE, SidE, ubiquitin
Authors:Wang, Y, Gao, A, Gao, P.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.217 Å)
Cite:Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
4PFC
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BU of 4pfc by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
Descriptor: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
Authors:Wang, Y, Guo, S.
Deposit date:2014-04-28
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
5ZQ2
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SidE apo form
Descriptor: SidE
Authors:Wang, Y, Gao, A, Gao, P.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
3OK9
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BU of 3ok9 by Molmil
Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A
Descriptor: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2010-08-24
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors.
Chemmedchem, 5, 2010
7CAM
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BU of 7cam by Molmil
SARS-CoV-2 main protease (Mpro) apo structure (space group P212121)
Descriptor: 3C-like proteinase
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y.
Deposit date:2020-06-09
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug.
Am J Cancer Res, 10, 2020
3HK2
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BU of 3hk2 by Molmil
Crystal structure of T. thermophilus Argonaute N478 mutant protein 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:2009-05-22
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes.
Nature, 461, 2009
4PF9
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BU of 4pf9 by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
Descriptor: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
Authors:Wang, Y, Guo, S.
Deposit date:2014-04-28
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
5XK2
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BU of 5xk2 by Molmil
Crystal structure of mono- and diacylglycerol lipase from Aspergillus oryzae
Descriptor: Diacylglycerol lipase
Authors:Wang, Y.H, Lan, D.M.
Deposit date:2017-05-05
Release date:2018-05-09
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Crystal structure of mono- and diacylglycerol lipase from Aspergillus oryzae
To Be Published
4PF7
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BU of 4pf7 by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
Descriptor: (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION
Authors:Wang, Y, Guo, S.
Deposit date:2014-04-28
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
5ZQ3
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BU of 5zq3 by Molmil
PDE-Ubiquitin
Descriptor: SidE, Ubiquitin
Authors:Wang, Y, Gao, A, Gao, P.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.182 Å)
Cite:Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
5ZQ5
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BU of 5zq5 by Molmil
SidE-Ubi
Descriptor: SidE, Ubiquitin
Authors:Wang, Y, Gao, A, Gao, P.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
1R6N
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BU of 1r6n by Molmil
HPV11 E2 TAD complex crystal structure
Descriptor: 2-METHYL-PROPIONIC ACID, DIMETHYL SULFOXIDE, HPV11 REGULATORY PROTEIN E2, ...
Authors:Wang, Y, Coulombe, R.
Deposit date:2003-10-15
Release date:2004-02-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the E2 Transactivation Domain of Human Papillomavirus Type 11 Bound to a Protein Interaction Inhibitor
J.Biol.Chem., 279, 2004
7E0V
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BU of 7e0v by Molmil
GDPD from Pyrococcus furiosus DSM 3638
Descriptor: Glycerophosphodiester phosphodiesterase
Authors:Wang, Y.H, Wang, J, Wang, F.H.
Deposit date:2021-01-28
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Bomgl, a monoacylglycerol lipase from marine Bacillus
To Be Published
3QAA
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BU of 3qaa by Molmil
HIV-1 wild type protease with a substituted bis-Tetrahydrofuran inhibitor, GRL-044-10A
Descriptor: (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2011-01-10
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design of substituted bis-Tetrahydrofuran (bis-THF)-derived Potent HIV-1 Protease Inhibitors, Protein-ligand X-ray Structure, and Convenient Syntheses of bis-THF and Substituted bis-THF Ligands.
ACS Med Chem Lett, 2, 2011
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
5G4C
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BU of 5g4c by Molmil
Human SIRT2 catalyse short chain fatty acyl lysine
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, SIRT2, ...
Authors:Wang, Y.
Deposit date:2016-05-09
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SIRT2 Reverses 4-Oxononanoyl Lysine Modification on Histones.
J. Am. Chem. Soc., 138, 2016
7F9Y
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BU of 7f9y by Molmil
ghrelin-bound ghrelin receptor in complex with Gq
Descriptor: CHOLESTEROL, Engineered G-alpha-q subunit, Ghrelin-28, ...
Authors:Wang, Y, Zhuang, Y, Xu, P, Xu, H.E, Jiang, Y.
Deposit date:2021-07-05
Release date:2021-08-18
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular recognition of an acyl-peptide hormone and activation of ghrelin receptor.
Nat Commun, 12, 2021
5H00
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BU of 5h00 by Molmil
The crystal structure of D-2-haloacid dehalogenase
Descriptor: (R)-2-haloacid dehalogenase
Authors:Wang, Y, Xue, S.
Deposit date:2016-10-02
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:The crystal structure of D-2-haloacid dehalogenase
To Be Published
5ZQ7
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BU of 5zq7 by Molmil
SidE-Ubi-NAD
Descriptor: ADENOSINE MONOPHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SidE, ...
Authors:Wang, Y, Gao, A, Gao, P.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
5GZX
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BU of 5gzx by Molmil
The complex structure of D-2-haloacid dehalogenase mutant with D-2-CPA
Descriptor: (R)-2-Chloropropionic acid, (R)-2-haloacid dehalogenase
Authors:Wang, Y, Xue, S.
Deposit date:2016-10-02
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The complex structure of D-2-haloacid dehalogenase mutant with D-2-CPA
To Be Published
5ZQ6
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BU of 5zq6 by Molmil
SidE-Ubi-ADPr
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SidE, Ubiquitin
Authors:Wang, Y, Gao, A, Gao, P.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.009 Å)
Cite:Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
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

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