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PDB: 177 件
5F96
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Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235.12 in complex with HIV-1 clade A/E 93TH057 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY CH235.12, ...
著者Zhou, T, Kwong, P.D.
登録日2015-12-09
公開日2016-03-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2407 Å)
主引用文献Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
4I9N
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Crystal structure of rabbit LDHA in complex with AP28161 and AP28122
分子名称: 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
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
7TCQ
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BU of 7tcq by Molmil
Crystal structure of SARS-CoV-2 neutralizing antibody WS6 in complex with spike S2 peptide
分子名称: Anti-SARS-CoV-2 antibody WS6 Fab heavy chain, Anti-SARS-CoV-2 antibody WS6 Fab light chain, DI(HYDROXYETHYL)ETHER, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-28
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Vaccine-elicited murine antibody WS6 neutralizes diverse beta-coronaviruses by recognizing a helical stem supersite of vulnerability.
Structure, 30, 2022
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
分子名称: 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
著者Zhou, T.
登録日2009-08-05
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
5EQE
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BU of 5eqe by Molmil
Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11)
分子名称: Choline kinase alpha, [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-12
公開日2016-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
5EQP
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Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37)
分子名称: 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-13
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
7L77
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Crystal structure of broadly HIV-1-neutralizing antibody VRC33.01
分子名称: Heavy chain of VRC 33.01, Light chain of VRC33.01
著者Zhou, T, Kwong, P.D.
登録日2020-12-27
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.543 Å)
主引用文献Crystal structure of broadly HIV-1-neutralizing antibody
Cell Rep, 2021
7L79
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Crystal structure of broadly HIV-1-neutralizing antibody VRC40.01
分子名称: Heavy chain of VRC40.01, Light chain of VRC40.01, ZINC ION
著者Zhou, T, Kwong, P.D.
登録日2020-12-27
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.826 Å)
主引用文献Crystal structure of broadly HIV-1-neutralizing antibody
Cell Rep, 2021
5EQY
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Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65)
分子名称: 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-13
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
4RX4
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BU of 4rx4 by Molmil
Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ...
著者Zhou, T, Acharya, P, Moquin, S, Kwong, P.D.
登録日2014-12-08
公開日2015-07-01
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
3NGB
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BU of 3ngb by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 gp120
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, T, Kwong, P.D.
登録日2010-06-11
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural basis for broad and potent neutralization of HIV-1 by antibody VRC01.
Science, 329, 2010
4JAN
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BU of 4jan by Molmil
crystal structure of broadly neutralizing antibody CH103 in complex with HIV-1 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
著者Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
登録日2013-02-18
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
4JAM
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BU of 4jam by Molmil
Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103
分子名称: 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
著者Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
登録日2013-02-18
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 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
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-03-19
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.827 Å)
主引用文献Somatic Mutations of the Immunoglobulin Framework Are Generally Required for Broad and Potent HIV-1 Neutralization.
Cell(Cambridge,Mass.), 153, 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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-02-11
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
6BF4
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BU of 6bf4 by Molmil
Crystal Structure of HIV-1 Clade AE Strain CNE55 gp120 Core in Complex with Neutralizing Antibody VRC-PG05 that Targets the Center of the Silent Face on the Outer Domain of gp120
分子名称: 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, ...
著者Zhou, T, Kwong, P.D.
登録日2017-10-25
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献A Neutralizing Antibody Recognizing Primarily N-Linked Glycan Targets the Silent Face of the HIV Envelope.
Immunity, 48, 2018
3KF4
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Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
分子名称: N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine, Tyrosine-protein kinase ABL1
著者Zhou, T.
登録日2009-10-27
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
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
分子名称: 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
著者Zhou, T.
登録日2009-10-27
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
4LSR
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BU of 4lsr by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E stran 93TH057 gp120 with LOOP D and Loop V5 from clade A strain KER_2018_11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 WITH LOOP D AND V5 FROM STRAIN ker_2018_11, HEAVY CHAIN OF ANTIBODY VRC-CH31, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LSQ
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BU of 4lsq by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E gp120 93TH057 with LOOP D and Loop V5 from clade A strain 3415_v1_c1
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LST
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BU of 4lst by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade C strain ZM176.66 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, HEAVY CHAIN OF ANTIBODY VRC01, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LSP
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BU of 4lsp by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E gp120 93TH057
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LSU
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Crystal structure of broadly and potently neutralizing antibody VRC-PG20 in complex with HIV-1 clade A/E 93TH057 gp120
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LSV
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Crystal structure of broadly and potently neutralizing antibody 3BNC117 in complex with HIV-1 clade C C1086 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN OF ANTIBODY 3BNC117, IMIDAZOLE, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LSS
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Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade A strain KER_2018_11 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY VRC01, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013

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