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8TNH
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BU of 8tnh by Molmil
Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with broadly neutralizing llama nanobody G36 targeting the CD4-binding site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD4-binding site nanobody G36, ...
Authors:Zhou, T, Kwong, P.D, Xu, J.
Deposit date:2023-08-01
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with broadly neutralizing llama nanobody G36 targeting the CD4-binding site
To Be Published
8TNI
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BU of 8tni by Molmil
Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with broadly neutralizing bi-specific antibody CAP256L-R27 targeting the CD4-binding site and the V2-apex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 BG505 DS-SOSIP gp120, ...
Authors:Zhou, T, Morano, N.C, Roark, R.S, Kwong, P.D, Xu, J.
Deposit date:2023-08-01
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with broadly neutralizing bi-specific antibody CAP256L-R27 targeting the CD4-binding site and the V2-apex
To Be Published
3IK3
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BU of 3ik3 by Molmil
AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-08-05
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
7LRT
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BU of 7lrt by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 spike glycoprotein, ...
Authors:Zhou, T, Tsybovsky, T.
Deposit date:2021-02-17
Release date:2021-07-14
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
7LRS
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BU of 7lrs by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
Descriptor: Spike glycoprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, antibody A23-58.1 heavy chain, ...
Authors:Zhou, T, Tsybovsky, Y.
Deposit date:2021-02-17
Release date:2021-07-14
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
4I9H
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BU of 4i9h by Molmil
Crystal structure of rabbit LDHA in complex with AP28669
Descriptor: 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain
Authors:Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
Deposit date:2012-12-05
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I8X
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BU of 4i8x by Molmil
Crystal structure of rabbit LDHA in complex with AP27460
Descriptor: 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
Authors:Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
Deposit date:2012-12-04
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9N
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BU of 4i9n by Molmil
Crystal structure of rabbit LDHA in complex with AP28161 and AP28122
Descriptor: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
Authors:Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
Deposit date:2012-12-05
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9U
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BU of 4i9u by Molmil
Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256
Descriptor: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
Authors:Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
Deposit date:2012-12-05
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
6SZZ
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BU of 6szz by Molmil
Crystal structure of Cold Shock Protein B (CspB) containing the modified residue 4-F-Trp
Descriptor: Cold shock protein CspD, GLYCEROL
Authors:Zhou, T, Mayans, O.
Deposit date:2019-10-02
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:What does fluorine do to a protein? Thermodynamic, and highly-resolved structural insights into fluorine-labelled variants of the cold shock protein.
Sci Rep, 10, 2020
6T00
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BU of 6t00 by Molmil
Crystal structure of Cold Shock Protein B (CSP-B) containing 4-F-Phe modified residues
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Cold shock protein CspD, GLYCEROL
Authors:Zhou, T, Mayans, O.
Deposit date:2019-10-02
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:What does fluorine do to a protein? Thermodynamic, and highly-resolved structural insights into fluorine-labelled variants of the cold shock protein.
Sci Rep, 10, 2020
5JOE
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BU of 5joe by Molmil
Crystal structure of I81 from titin
Descriptor: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Titin
Authors:Fleming, J, Zhou, T, Bogomolovas, J, Labeit, S, Mayans, O.
Deposit date:2016-05-02
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:CARP interacts with titin at a unique helical N2A sequence and at the domain Ig81 to form a structured complex.
Febs Lett., 590, 2016
5JXA
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BU of 5jxa by Molmil
Crystal structure of ligand-free VRC03 antigen-binding fragment.
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, PHOSPHATE ION, ...
Authors:Zhou, T, Moquin, S, Joyce, M.G, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-12
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies.
Structure, 24, 2016
6NZ7
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BU of 6nz7 by Molmil
Crystal structure of broadly neutralizing Influenza A antibody 429 B01 in complex with Hemagglutinin Hong Kong 1968
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 429 B01 FAB heavy chain, 429 B01 FAB light chain, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2019-02-13
Release date:2019-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Prolonged evolution of the memory B cell response induced by a replicating adenovirus-influenza H5 vaccine.
Sci Immunol, 4, 2019
4JAN
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BU of 4jan by Molmil
crystal structure of broadly neutralizing antibody CH103 in complex with HIV-1 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
Authors:Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
4J6R
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BU of 4j6r by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC23 in complex with HIV-1 gp120
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-02-11
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
4JPV
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BU of 4jpv by Molmil
Crystal structure of broadly and potently neutralizing antibody 3bnc117 in complex with hiv-1 gp120
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-03-19
Release date:2013-04-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.827 Å)
Cite:Somatic Mutations of the Immunoglobulin Framework Are Generally Required for Broad and Potent HIV-1 Neutralization.
Cell(Cambridge,Mass.), 153, 2013
7JKS
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BU of 7jks by Molmil
Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2411a in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 core, The heavy chain of antibody 2411a, ...
Authors:Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R.
Deposit date:2020-07-28
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth.
Immunity, 54, 2021
7JKT
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BU of 7jkt by Molmil
Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2413a in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core from strain d45-01dG5, ...
Authors:Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R.
Deposit date:2020-07-28
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth.
Immunity, 54, 2021
4JAM
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BU of 4jam by Molmil
Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103
Descriptor: 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
Authors:Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
7MM0
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BU of 7mm0 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody B1-182.1 that targets the receptor-binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B1-182.1 Fab heavy chain, ...
Authors:Zhou, T, Tsybovsky, T, Kwong, P.D.
Deposit date:2021-04-29
Release date:2021-07-28
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
7MLZ
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BU of 7mlz by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody B1-182.1 that targets the receptor-binding domain
Descriptor: B1-182.1 Fab heavy chain, B1-182.1 Fab light chain, Spike protein S1, ...
Authors:Zhou, T, Tsybovsky, T, Kwong, P.D.
Deposit date:2021-04-29
Release date:2021-07-28
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
7MXD
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BU of 7mxd by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J038 in complex with HIV-1 Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
Authors:Zhou, T, Gao, F.
Deposit date:2021-05-19
Release date:2022-03-30
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7N28
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BU of 7n28 by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
Authors:Zhou, T, Gao, F.
Deposit date:2021-05-28
Release date:2022-04-06
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7TB4
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BU of 7tb4 by Molmil
Cryo-EM structure of the spike of SARS-CoV-2 Omicron variant of concern
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Surface glycoprotein
Authors:Zhou, T, Tsybovsky, T, Kwong, P.D.
Deposit date:2021-12-21
Release date:2022-01-12
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Antibodies with potent and broad neutralizing activity against antigenically diverse and highly transmissible SARS-CoV-2 variants.
Biorxiv, 2021

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PDB entries from 2024-10-09

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