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4ZJR
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BU of 4zjr by Molmil
RORgamma in complex with inverse agonist 48
Descriptor: 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide, Nuclear receptor ROR-gamma
Authors:Marcotte, D.J.
Deposit date:2015-04-29
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
7U2E
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BU of 7u2e by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADI-55688
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-55688 heavy chain, ADI-55688 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-02-23
Release date:2022-05-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A broad and potent neutralization epitope in SARS-related coronaviruses.
Proc.Natl.Acad.Sci.USA, 119, 2022
7U2D
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BU of 7u2d by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADG20
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADG20 heavy chain, ADG20 light chain, ...
Authors:Zhu, X, Yuan, M, Wilson, I.A.
Deposit date:2022-02-23
Release date:2022-05-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:A broad and potent neutralization epitope in SARS-related coronaviruses.
Proc.Natl.Acad.Sci.USA, 119, 2022
7LM8
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BU of 7lm8 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with two cross-neutralizing antibodies CV38-142 and COVA1-16 Fabs isolated from COVID-19 patients
Descriptor: 1,2-ETHANEDIOL, COVA1-16 Fab heavy chain, COVA1-16 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2021-02-05
Release date:2021-03-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:A combination of cross-neutralizing antibodies synergizes to prevent SARS-CoV-2 and SARS-CoV pseudovirus infection.
Cell Host Microbe, 29, 2021
7LM9
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BU of 7lm9 by Molmil
Crystal structure of SARS-CoV spike protein receptor-binding domain in complex with a cross-neutralizing antibody CV38-142 Fab isolated from COVID-19 patient
Descriptor: 1,2-ETHANEDIOL, CV38-142 Fab heavy chain, CV38-142 Fab light chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-02-05
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:A combination of cross-neutralizing antibodies synergizes to prevent SARS-CoV-2 and SARS-CoV pseudovirus infection.
Cell Host Microbe, 29, 2021
7RU4
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BU of 7ru4 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.33 IgG heavy chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU1
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BU of 7ru1 by Molmil
SARS-CoV-2-6P-Mut7 S protein (C3 symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU8
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BU of 7ru8 by Molmil
CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab Kappa chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU3
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BU of 7ru3 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU5
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BU of 7ru5 by Molmil
CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab heavy chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU2
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BU of 7ru2 by Molmil
SARS-CoV-2-6P-Mut7 S protein (asymmetric)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7T62
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BU of 7t62 by Molmil
GPC2 HEP CT3 complex
Descriptor: CT3, Glypican-2
Authors:Zhu, J, Cachau, R, De Val Alda, N, Li, N, Ho, M.
Deposit date:2021-12-13
Release date:2021-12-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (21 Å)
Cite:CAR T cells targeting tumor-associated exons of glypican 2 regress neuroblastoma in mice.
Cell Rep Med, 2, 2021
7SJS
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BU of 7sjs by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CC40.8
Descriptor: ACETATE ION, CC40.8 Fab heavy chain, CC40.8 Fab light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2021-10-18
Release date:2022-01-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:A human antibody reveals a conserved site on beta-coronavirus spike proteins and confers protection against SARS-CoV-2 infection.
Sci Transl Med, 14, 2022
1SKX
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BU of 1skx by Molmil
Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin
Descriptor: Orphan nuclear receptor PXR, RIFAMPICIN
Authors:Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R.
Deposit date:2004-03-05
Release date:2005-03-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
8D36
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BU of 8d36 by Molmil
Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
Descriptor: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
Authors:Yuan, M, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-05-31
Release date:2022-07-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DAO
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BU of 8dao by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
Descriptor: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
Authors:Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
Deposit date:2022-06-13
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
Descriptor: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
Authors:Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
Deposit date:2022-06-06
Release date:2022-07-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
Descriptor: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
Authors:Lin, T.H, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
Descriptor: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
Descriptor: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
5L21
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BU of 5l21 by Molmil
Crystal structure of BoNT/A receptor binding domain in complex with VHH C2
Descriptor: Botulinum neurotoxin type A, VHH-C2
Authors:Yao, G, Jin, R.
Deposit date:2016-07-29
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A camelid single-domain antibody neutralizes botulinum neurotoxin A by blocking host receptor binding.
Sci Rep, 7, 2017
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8AN8
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BU of 8an8 by Molmil
Crystal structure of wild-type c-MET bound by compound 7.
Descriptor: 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, Hepatocyte growth factor receptor, SULFATE ION
Authors:Collie, G.W.
Deposit date:2022-08-04
Release date:2022-08-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
8ANS
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BU of 8ans by Molmil
Crystal structure of D1228V c-MET bound by compound 1.
Descriptor: 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, GLYCEROL, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2022-08-05
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
8JLX
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BU of 8jlx by Molmil
CCHFV envelope protein Gc in complex with Gc13
Descriptor: Glycoprotein C,CCHFV Gc fusion loops, Mouse antibody Gc13 heavy chain, Mouse antibody Gc13 light chain
Authors:Chong, T, Cao, S.
Deposit date:2023-06-03
Release date:2024-01-24
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus.
Plos Pathog., 20, 2024

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數據於2024-11-06公開中

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