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PDB: 156 results

6XLU
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Structure of SARS-CoV-2 spike at pH 4.0
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:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-08-12
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6XM3
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Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 1
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:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-08-12
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7NIP
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BU of 7nip by Molmil
titin N2A unique sequence (UN2A) core
Descriptor: Isoform 11 of Titin
Authors:Zhou, T, Kovermann, M, Fleming, J.R, Mayans, O.
Deposit date:2021-02-13
Release date:2021-03-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Molecular Characterisation of Titin N2A and Its Binding of CARP Reveals a Titin/Actin Cross-linking Mechanism.
J.Mol.Biol., 433, 2021
5WDX
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BU of 5wdx by Molmil
Structure of NS3 from HCV strain JFH-1 that is an unusually robust helicase that is primed to bind and unwind viral RNA
Descriptor: JFH-1 NS3, MAGNESIUM ION, ZINC ION
Authors:Zhou, T, Pyle, A.M.
Deposit date:2017-07-06
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:NS3 from Hepatitis C Virus Strain JFH-1 Is an Unusually Robust Helicase That Is Primed To Bind and Unwind Viral RNA.
J. Virol., 92, 2018
2GCD
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BU of 2gcd by Molmil
TAO2 kinase domain-staurosporine structure
Descriptor: STAUROSPORINE, Serine/threonine-protein kinase TAO2
Authors:Zhou, T, Sun, L, Gao, Y, Earnest, S, Cobb, M.H, Goldsmith, E.J.
Deposit date:2006-03-14
Release date:2006-09-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the MAP3K TAO2 kinase domain bound by an inhibitor staurosporine.
Acta Biochim.Biophys.Sinica, 38, 2006
3IK3
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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
1F48
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BU of 1f48 by Molmil
CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ANTIMONY (III) ION, ARSENITE-TRANSLOCATING ATPASE, ...
Authors:Zhou, T, Radaev, S, Rosen, B.P, Gatti, D.L.
Deposit date:2000-06-07
Release date:2000-09-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the ArsA ATPase: the catalytic subunit of a heavy metal resistance pump.
EMBO J., 19, 2000
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
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
5TE7
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BU of 5te7 by Molmil
Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade C Strain DU172.17 gp120 Core
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2016-09-20
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
6T00
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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
5TE4
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BU of 5te4 by Molmil
Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade G Strain X2088 gp120 Core
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2016-09-20
Release date:2016-11-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
5TE6
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BU of 5te6 by Molmil
Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade AE Strain 93TH057 gp120 Core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heavy chain of N6, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2016-09-20
Release date:2016-11-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
1FWK
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BU of 1fwk by Molmil
CRYSTAL STRUCTURE OF HOMOSERINE KINASE COMPLEXED WITH ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HOMOSERINE KINASE, MAGNESIUM ION
Authors:Zhou, T, Daugherty, M, Grishin, N.V, Osterman, A.L, Zhang, H.
Deposit date:2000-09-22
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of homoserine kinase: prototype for the GHMP kinase superfamily.
Structure Fold.Des., 8, 2000
1FWL
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BU of 1fwl by Molmil
CRYSTAL STRUCTURE OF HOMOSERINE KINASE
Descriptor: HOMOSERINE KINASE
Authors:Zhou, T, Daugherty, M, Grishin, N.V, Osterman, A.L, Zhang, H.
Deposit date:2000-09-22
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure and mechanism of homoserine kinase: prototype for the GHMP kinase superfamily.
Structure Fold.Des., 8, 2000
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
3KFA
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BU of 3kfa by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: 3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
3OY3
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BU of 3oy3 by Molmil
Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589
Descriptor: 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide, Tyrosine-protein kinase ABL1
Authors:Zhou, T, Commodore, L, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
Deposit date:2010-09-22
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
3KF4
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BU of 3kf4 by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
3OXZ
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BU of 3oxz by Molmil
Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1
Authors:Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
Deposit date:2010-09-22
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
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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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
1U5Q
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Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of a Ste20p MAP3K
Descriptor: CALCIUM ION, serine/threonine protein kinase TAO2
Authors:Zhou, T, Raman, M, Gao, Y, Earnest, S, Chen, Z, Machius, M, Cobb, M.H, Goldsmith, E.J.
Deposit date:2004-07-28
Release date:2004-10-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the TAO2 Kinase Domain; Activation and Specificity of a Ste20p MAP3K.
STRUCTURE, 12, 2004
1U5R
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BU of 1u5r by Molmil
Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of a Ste20p MAP3K
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Zhou, T, Raman, M, Gao, Y, Earnest, S, Chen, Z, Machius, M, Cobb, M.H, Goldsmith, E.J.
Deposit date:2004-07-28
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the TAO2 Kinase Domain; Activation and Specificity of a Ste20p MAP3K.
Structure, 12, 2004
4I9U
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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

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