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3IOK
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BU of 3iok by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
Descriptor: 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-08-14
Release date:2009-11-10
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
3U7Y
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BU of 3u7y by Molmil
Structure of NIH45-46 Fab in complex with gp120 of 93TH057 HIV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRATE ANION, ...
Authors:Diskin, R, Bjorkman, P.J.
Deposit date:2011-10-14
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4478 Å)
Cite:Increasing the Potency and Breadth of an HIV Antibody by Using Structure-Based Rational Design.
Science, 334, 2011
3U7W
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BU of 3u7w by Molmil
Crystal structure of NIH45-46 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Heavy chain, ...
Authors:Diskin, R, Bjorkman, P.J.
Deposit date:2011-10-14
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increasing the Potency and Breadth of an HIV Antibody by Using Structure-Based Rational Design.
Science, 334, 2011
4P9M
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BU of 4p9m by Molmil
Crystal structure of 8ANC195 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, 8ANC195 light chain
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2014-04-04
Release date:2014-05-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Antibody 8ANC195 Reveals a Site of Broad Vulnerability on the HIV-1 Envelope Spike.
Cell Rep, 7, 2014
4P9H
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BU of 4p9h by Molmil
Crystal structure of 8ANC195 Fab in complex with gp120 of 93TH057 HIV-1 and soluble CD4 D1D2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2014-04-04
Release date:2014-05-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Antibody 8ANC195 Reveals a Site of Broad Vulnerability on the HIV-1 Envelope Spike.
Cell Rep, 7, 2014
6ORN
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BU of 6orn by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch bNAb 10-1074
Descriptor: 10-1074 antibody Fab heavy chain, 10-1074 antibody Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
6ORO
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BU of 6oro by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab874NHP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab874NHP antibody Fab heavy chain, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
6ORQ
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BU of 6orq by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab275MUR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab275MUR antibody Fab heavy chain, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
5BML
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BU of 5bml by Molmil
ROCK 1 bound to a pyridine thiazole inhibitor
Descriptor: N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1
Authors:Jacobs, M.D.
Deposit date:2015-05-22
Release date:2015-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
7YFN
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BU of 7yfn by Molmil
Core module of the NuA4 complex in S. cerevisiae
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ARP4 isoform 1, Actin, ...
Authors:Ji, L.T, Zhao, L.X, Xu, K, Gao, H.H, Zhou, Y, Kornberg, R.D, Zhang, H.Q.
Deposit date:2022-07-08
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of the NuA4 histone acetyltransferase complex.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YFP
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BU of 7yfp by Molmil
The NuA4 histone acetyltransferase complex from S. cerevisiae
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ARP4 isoform 1, Actin, ...
Authors:Ji, L.T, Zhao, L.X, Xu, K, Gao, H.H, Zhou, Y, Kornberg, R.D, Zhang, H.Q.
Deposit date:2022-07-08
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the NuA4 histone acetyltransferase complex.
Proc.Natl.Acad.Sci.USA, 119, 2022
6BNT
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BU of 6bnt by Molmil
Crystal structure of AP2 mu1 adaptin C-terminal domain with IRS-1 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1
Authors:Kikuchi, S, Choi, E, Yu, H.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mitotic regulators and the SHP2-MAPK pathway promote IR endocytosis and feedback regulation of insulin signaling.
Nat Commun, 10, 2019
7E80
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BU of 7e80 by Molmil
Cryo-EM structure of the flagellar rod with hook and export apparatus from Salmonella
Descriptor: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7E81
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BU of 7e81 by Molmil
Cryo-EM structure of the flagellar MS ring with FlgB-Dc loop and FliE-helix 1 from Salmonella
Descriptor: Flagellar M-ring protein, FlgB-Dc loop, FliE helix 1
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7E82
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BU of 7e82 by Molmil
Cryo-EM structure of the flagellar rod with partial hook from Salmonella
Descriptor: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
Descriptor: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
4JDV
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BU of 4jdv by Molmil
Crystal structure of germ-line precursor of NIH45-46 Fab
Descriptor: Fab heavy chain, Fab light chain, GLYCEROL, ...
Authors:Diskin, R, Scharf, L, Bjorkman, P.J.
Deposit date:2013-02-25
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for HIV-1 gp120 recognition by a germ-line version of a broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JKP
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BU of 4jkp by Molmil
Restricting HIV-1 Pathways for Escape using Rationally-Designed Anti-HIV-1 Antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody 45-46M2, Light chain of antibody 45-46M2, ...
Authors:Diskin, R, Bjorkman, P.J.
Deposit date:2013-03-11
Release date:2013-05-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Restricting HIV-1 pathways for escape using rationally designed anti-HIV-1 antibodies.
J.Exp.Med., 210, 2013
4JDT
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BU of 4jdt by Molmil
Crystal structure of chimeric germ-line precursor of NIH45-46 Fab in complex with gp120 of 93TH057 HIV-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Scharf, L, Diskin, R, Bjorkman, P.J.
Deposit date:2013-02-25
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural basis for HIV-1 gp120 recognition by a germ-line version of a broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
6JIV
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BU of 6jiv by Molmil
SspE crystal structure
Descriptor: SspE protein
Authors:Bing, Y.Z, Yang, H.G.
Deposit date:2019-02-23
Release date:2020-03-25
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
6JUF
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BU of 6juf by Molmil
SspB crystal structure
Descriptor: SspB protein
Authors:Liqiong, L, Yubing, Z.
Deposit date:2019-04-13
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016

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數據於2024-05-15公開中

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