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7ENR
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BU of 7enr by Molmil
Crystal structure of cas and anti-cas protein complex
Descriptor: AcrIIA14, CRISPR-associated endonuclease Cas9, sgRNA (98-MER)
Authors:Wang, Y, Li, X.
Deposit date:2021-04-19
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.205 Å)
Cite:Crystal structure of cas and anti-cas protein complex
To Be Published
7ENM
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BU of 7enm by Molmil
Selenomethionine anti-Cas protein
Descriptor: AcrIIA14 protein
Authors:Wang, Y, Li, X.
Deposit date:2021-04-18
Release date:2022-04-20
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Selenomethionine anti-Cas protein
To Be Published
7ENH
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BU of 7enh by Molmil
Crystal structure of cas and anti-cas protein complex
Descriptor: AcrIIA14 protein, CRISPR-associated endonuclease Cas9, NICKEL (II) ION
Authors:Wang, Y, Li, X.
Deposit date:2021-04-17
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Crystal structure of cas and anti-cas protein complex
To Be Published
6JPS
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BU of 6jps by Molmil
Human H chain ferritin mutant-MBP
Descriptor: Ferritin
Authors:Wang, Y, Zang, J, Chen, H.
Deposit date:2019-03-27
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Re-designing ferritin nanocages for mercuric ion detection.
Analyst, 144, 2019
7WOF
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BU of 7wof by Molmil
SARS-CoV-2 3CLpro
Descriptor: (2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
Authors:Wang, Y, Ye, S.
Deposit date:2022-01-21
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WOH
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BU of 7woh by Molmil
SARS-CoV-2 3CLpro
Descriptor: (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide, 3C-like proteinase
Authors:Wang, Y, Ye, S.
Deposit date:2022-01-21
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WO1
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BU of 7wo1 by Molmil
Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific protein-ligand interactions
Descriptor: 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide
Authors:Wang, Y, Ye, S.
Deposit date:2022-01-20
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WO3
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BU of 7wo3 by Molmil
SARS-CoV-2 3CLpro
Descriptor: (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide, 3C-like proteinase
Authors:Wang, Y, Ye, S.
Deposit date:2022-01-20
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WO2
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BU of 7wo2 by Molmil
SARS-CoV-2 3CLPro Peptidomimetic Inhibitor TPM5
Descriptor: 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
Authors:Wang, Y, Ye, S.
Deposit date:2022-01-20
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7Y3E
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BU of 7y3e by Molmil
Cryo-EM structure of Arabidopsis thaliana SOS1 in an occluded state
Descriptor: HEXADECANE, Sodium/hydrogen exchanger 7
Authors:Wang, Y, Zhao, Y, Gao, Y.
Deposit date:2022-06-10
Release date:2023-08-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Architecture and autoinhibitory mechanism of the plasma membrane Na + /H + antiporter SOS1 in Arabidopsis.
Nat Commun, 14, 2023
5Y8V
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BU of 5y8v by Molmil
Crystal structure of GAS41
Descriptor: MAGNESIUM ION, YEATS domain-containing protein 4
Authors:Wang, Y, Hao, Q.
Deposit date:2017-08-21
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Identification of the YEATS domain of GAS41 as a pH-dependent reader of histone succinylation
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5WYI
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BU of 5wyi by Molmil
The Yaf9 YEATS domain Recognizing H3K122suc Peptide
Descriptor: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, ILE-MET-PRO-LYS-ASP-ILE-GLN-LEU, SUCCINIC ACID, ...
Authors:Wang, Y, Hao, Q.
Deposit date:2017-01-13
Release date:2018-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Yaf9 YEATS domain Recognizing H3K122suc Peptide
To Be Published
5W87
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BU of 5w87 by Molmil
Crystal structure of the C-terminal lobe of the human HERC6 HECT domain
Descriptor: PHOSPHATE ION, Probable E3 ubiquitin-protein ligase HERC6
Authors:WANG, Y, BELLESIS, A.G, ROYER, W.E, SPRATT, D.E.
Deposit date:2017-06-21
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Crystal structure of the C-terminal lobe of the human HERC6 HECT domain
To Be Published
7XEI
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BU of 7xei by Molmil
SARS-CoV-2-prototyped-RBD and CB6-092-Fab complex
Descriptor: CB6-092-Fab heavy chain, CB6-092-Fab light chain, Spike protein S1
Authors:Wang, Y, Feng, Y.
Deposit date:2022-03-31
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:SARS-CoV-2-prototyped-RBD and CB6-092-Fab complex
To Be Published
7XEG
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BU of 7xeg by Molmil
SARS-CoV-2-Beta-RBD and CB6-092-Fab complex
Descriptor: CB6-092-Fab heavy chain, CB6-092-Fab light chain, Spike protein S1
Authors:Wang, Y, Feng, Y.
Deposit date:2022-03-31
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:SARS-CoV-2-Beta-RBD and CB6-092-Fab complex
To Be Published
8I7Q
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BU of 8i7q by Molmil
Cobalt and Calcium coordinated Concanavalin A at pH 7.4 from Canavalia ensiformis
Descriptor: CALCIUM ION, COBALT (II) ION, Concanavalin A
Authors:Hwang, Y, Jeong, J.H, Lee, S.J.
Deposit date:2023-02-01
Release date:2023-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Selective interactions of Co 2+ -Ca 2+ -concanavalin A with high mannose N -glycans.
Dalton Trans, 53, 2024
7N19
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BU of 7n19 by Molmil
DR3 in complex with Aspergillus nidulans NAD-dependent histone deacetylase hst4 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:2021-05-27
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:CD4+ T cells in the lungs of acute sarcoidosis patients recognize an Aspergillus nidulans epitope.
J.Exp.Med., 218, 2021
4P6E
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BU of 4p6e by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor
Descriptor: Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION
Authors:Wang, Y, Jadhav, P.K, Deng, G.G.
Deposit date:2014-03-24
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
2R6Y
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BU of 2r6y by Molmil
Estrogen receptor alpha ligand-binding domain in complex with a SERM
Descriptor: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Authors:Wang, Y.
Deposit date:2007-09-06
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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
4PFJ
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BU of 4pfj by Molmil
The structure of bi-acetylated SAHH
Descriptor: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kavran, J.M, Wang, Y, Cole, P.A, Leahy, D.J.
Deposit date:2014-04-29
Release date:2014-10-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Regulation of s-adenosylhomocysteine hydrolase by lysine acetylation.
J.Biol.Chem., 289, 2014
4PGF
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BU of 4pgf by Molmil
The structure of mono-acetylated SAHH
Descriptor: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kavran, J.M, Wang, Y, Cole, P.A, Leahy, D.J.
Deposit date:2014-05-01
Release date:2014-10-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Regulation of s-adenosylhomocysteine hydrolase by lysine acetylation.
J.Biol.Chem., 289, 2014
4PES
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BU of 4pes by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
Descriptor: Ala-Ala-Ala, Insulin-degrading enzyme, ZINC ION, ...
Authors:Wang, Y, Guo, S.
Deposit date:2014-04-24
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of IDE complexed with an inhibitor
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
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021

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