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8KEQ
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BU of 8keq by Molmil
State 1 of SARS-CoV-2 XBB Variant Spike protein trimer complexed with antibody PW5-5
Descriptor: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-13
Release date:2024-08-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KEJ
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BU of 8kej by Molmil
Monomer state of SARS-CoV-2 XBB Variant Spike protein trimer complexed with antibody PW5-5
Descriptor: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-11
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KEH
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BU of 8keh by Molmil
State 2 of SARS-CoV-2 XBB Variant Spike protein trimer complexed with antibody PW5-5
Descriptor: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-11
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
7EU8
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BU of 7eu8 by Molmil
Structure of the human GluN1-GluN2B NMDA receptor in complex with S-ketamine,glycine and glutamate
Descriptor: (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Zhang, T, Zhang, Y, Zhu, S.
Deposit date:2021-05-16
Release date:2021-07-28
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis of ketamine action on human NMDA receptors.
Nature, 596, 2021
7EU7
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BU of 7eu7 by Molmil
Structure of the human GluN1-GluN2A NMDA receptor in complex with S-ketamine, glycine and glutamate
Descriptor: (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Zhang, Y, Zhang, T, Zhu, S.
Deposit date:2021-05-16
Release date:2021-08-04
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of ketamine action on human NMDA receptors.
Nature, 596, 2021
7F0M
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BU of 7f0m by Molmil
Crystal Structure of human Pin1 complexed with a potent covalent inhibitor
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Liu, L, Li, J.
Deposit date:2021-06-05
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
2GLM
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BU of 2glm by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with Compound 2
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHOXYETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-FURYL)BENZOIC ACID, BENZAMIDINE, ...
Authors:Zhang, L, Liu, W, Shen, X, Jiang, H.
Deposit date:2006-04-05
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
5W18
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BU of 5w18 by Molmil
Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide
Descriptor: 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit
Authors:Lee, R.E, Griffith, E.C.
Deposit date:2017-06-02
Release date:2017-08-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
3UOB
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BU of 3uob by Molmil
Crystal structure of Human Thymine DNA Glycosylase Bound to Substrate Analog 2'-deoxy-2'-beta-fluoro-cytidine
Descriptor: 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*GP*TP*GP*AP*GP*CP*AP*GP*TP*GP*GP*A)-3', 5'-D(*CP*CP*AP*CP*TP*GP*CP*TP*CP*AP*(1FC)P*GP*TP*AP*CP*AP*GP*AP*GP*CP*TP*GP*T)-3', G/T mismatch-specific thymine DNA glycosylase
Authors:Zhang, L, He, C.
Deposit date:2011-11-16
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA.
Nat.Chem.Biol., 8, 2012
3UO7
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BU of 3uo7 by Molmil
Crystal structure of Human Thymine DNA Glycosylase Bound to Substrate 5-carboxylcytosine
Descriptor: 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*AP*TP*GP*AP*GP*CP*AP*GP*TP*GP*GP*A)-3', 5'-D(*CP*CP*AP*CP*TP*GP*CP*TP*CP*AP*(1CC)P*GP*TP*AP*CP*AP*GP*AP*GP*CP*TP*GP*T)-3', G/T mismatch-specific thymine DNA glycosylase
Authors:Zhang, L, He, C.
Deposit date:2011-11-16
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA.
Nat.Chem.Biol., 8, 2012
7V7L
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BU of 7v7l by Molmil
Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha
Authors:Diao, X, Ren, X, Li, F.W, Sun, X, Wu, D.
Deposit date:2021-08-21
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha.
Nat Commun, 13, 2022
7V7W
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BU of 7v7w by Molmil
Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex with oleoylethanolamide (OEA)
Descriptor: (Z)-N-(2-hydroxyethyl)octadec-9-enamide, Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha
Authors:Diao, X, Ren, X, Li, F.W, Zhang, M, Sun, X, Wu, D.
Deposit date:2021-08-21
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha.
Nat Commun, 13, 2022
8J5J
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BU of 8j5j by Molmil
The crystal structure of bat coronavirus RsYN04 RBD bound to the antibody S43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nano antibody S43
Authors:Zhao, R.C, Niu, S, Han, P, Qi, J.X, Gao, G.F, Wang, Q.H.
Deposit date:2023-04-23
Release date:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cross-species recognition of bat coronavirus RsYN04 and cross-reaction of SARS-CoV-2 antibodies against the virus.
Zool.Res., 44, 2023
8JRN
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BU of 8jrn by Molmil
Structure of E6AP-E6 complex in Att1 state
Descriptor: Protein E6, Ubiquitin-protein ligase E3A, ZINC ION
Authors:Wang, Z, Yu, X.
Deposit date:2023-06-17
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
8JRQ
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BU of 8jrq by Molmil
Structure of E6AP-E6 complex in Det1 state
Descriptor: Protein E6, Ubiquitin-protein ligase E3A, ZINC ION
Authors:Wang, Z, Yu, X.
Deposit date:2023-06-17
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (4.15 Å)
Cite:Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
8JRP
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BU of 8jrp by Molmil
Structure of E6AP-E6 complex in Att3 state
Descriptor: Protein E6, Ubiquitin-protein ligase E3A, ZINC ION
Authors:Wang, Z, Yu, X.
Deposit date:2023-06-17
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
8JRR
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BU of 8jrr by Molmil
Structure of E6AP-E6 complex in Det2 state
Descriptor: Protein E6, Ubiquitin-protein ligase E3A, ZINC ION
Authors:Wang, Z, Yu, X.
Deposit date:2023-06-17
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (4.35 Å)
Cite:Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
8JRO
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BU of 8jro by Molmil
Structure of E6AP-E6 complex in Att2 state
Descriptor: Protein E6, Ubiquitin-protein ligase E3A, ZINC ION
Authors:Wang, Z, Yu, X.
Deposit date:2023-06-17
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural insights into the functional mechanism of the ubiquitin ligase E6AP.
Nat Commun, 15, 2024
4EMM
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BU of 4emm by Molmil
Crystal structure of Staphylococcus aureus ClpP in compact conformation
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Zhang, J, Liu, H, Yang, C.-G.
Deposit date:2012-04-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
3G5X
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BU of 3g5x by Molmil
Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR
Descriptor: 806 heavy chain, 806 light chain
Authors:Garrett, T.P.J, Burgess, A.W.
Deposit date:2009-02-05
Release date:2009-12-15
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antibodies specifically targeting a locally misfolded region of tumor associated EGFR
Proc.Natl.Acad.Sci.USA, 106, 2009
3G5Z
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BU of 3g5z by Molmil
Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR
Descriptor: 175 heavy chain, 175 light chain
Authors:Garrett, T.P.J, Burgess, A.W.
Deposit date:2009-02-05
Release date:2010-02-09
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Antibodies specifically targeting a locally misfolded region of tumor associated EGFR
Proc.Natl.Acad.Sci.USA, 106, 2009
3G5V
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BU of 3g5v by Molmil
Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR
Descriptor: 806 light chain, 808 heavy chain, ACETATE ION, ...
Authors:Garrett, T.P.J, Burgess, A.W, Huyton, T, Xu, Y.
Deposit date:2009-02-05
Release date:2010-02-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Antibodies specifically targeting a locally misfolded region of tumor associated EGFR
Proc.Natl.Acad.Sci.USA, 106, 2009
3G5Y
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BU of 3g5y by Molmil
Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR
Descriptor: 175 heavy chain, 175 light chain, EGFR peptide
Authors:Garrett, T.P.J, Burgess, A.W.
Deposit date:2009-02-05
Release date:2010-02-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Antibodies specifically targeting a locally misfolded region of tumor associated EGFR
Proc.Natl.Acad.Sci.USA, 106, 2009
7VD4
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BU of 7vd4 by Molmil
Crystal structure of BPTF-BRD with ligand TP248 bound
Descriptor: 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B.
Deposit date:2021-09-06
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85659146 Å)
Cite:Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
7YJ3
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BU of 7yj3 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with human ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-07-19
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023

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数据于2024-10-16公开中

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