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4FM6
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BU of 4fm6 by Molmil
HIV-1 protease mutant V32I complexed with reaction intermediate
Descriptor: CHLORIDE ION, GLYCEROL, HIV-1 protease, ...
Authors:Shen, C.H, Weber, I.T.
Deposit date:2012-06-15
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
3NU6
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BU of 3nu6 by Molmil
Crystal Structure of HIV-1 Protease Mutant I54M with Antiviral Drug Amprenavir
Descriptor: ACETATE ION, CHLORIDE ION, Protease, ...
Authors:Shen, C.H, Weber, I.T.
Deposit date:2010-07-06
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NU9
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BU of 3nu9 by Molmil
Crystal Structure of HIV-1 Protease Mutant I84V with Antiviral Drug Amprenavir
Descriptor: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Shen, C.H, Weber, I.T.
Deposit date:2010-07-06
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NUJ
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BU of 3nuj by Molmil
Crystal Structure of HIV-1 Protease Mutant I54V with Antiviral Drug Amprenavir
Descriptor: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Shen, C.H, Weber, I.T.
Deposit date:2010-07-07
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NUO
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BU of 3nuo by Molmil
Crystal Structure of HIV-1 Protease Mutant L90M with Antiviral Drug Amprenavir
Descriptor: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Shen, C.H, Weber, I.T.
Deposit date:2010-07-07
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
4HDP
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BU of 4hdp by Molmil
Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519
Descriptor: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ...
Authors:Shen, C.H, Zhang, H, Weber, I.T.
Deposit date:2012-10-02
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
4HE9
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BU of 4he9 by Molmil
Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519
Descriptor: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 protease, ...
Authors:Shen, C.H, Zhang, H, Weber, I.T.
Deposit date:2012-10-03
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
4FL8
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BU of 4fl8 by Molmil
HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate
Descriptor: CHLORIDE ION, GLYCEROL, HIV-1 protease, ...
Authors:Tie, Y.F, Shen, C.H, Weber, I.T.
Deposit date:2012-06-14
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
4FLG
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BU of 4flg by Molmil
HIV-1 protease mutant I47V complexed with reaction intermediate
Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Yu, X, Shen, C.H, Weber, I.T.
Deposit date:2012-06-14
Release date:2012-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
4J5J
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BU of 4j5j by Molmil
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Amprenavir
Descriptor: CHLORIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Shen, C.H, Weber, I.T.
Deposit date:2013-02-08
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran.
J.Med.Chem., 56, 2013
3NU5
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BU of 3nu5 by Molmil
Crystal Structure of HIV-1 Protease Mutant I50V with Antiviral Drug Amprenavir
Descriptor: ACETATE ION, CHLORIDE ION, SODIUM ION, ...
Authors:Wang, Y.-F, Shen, C.H, Weber, I.T.
Deposit date:2010-07-06
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
4HDB
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BU of 4hdb by Molmil
Crystal Structure of HIV-1 protease mutants D30N complexed with inhibitor GRL-0519
Descriptor: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ...
Authors:Zhang, H, Wang, Y.-F, Shen, C.H, Agniswamy, J, Weber, I.T.
Deposit date:2012-10-02
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
6UBI
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BU of 6ubi by Molmil
N123-VRC34.05 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
Descriptor: HIV fusion peptide 512-519, VRC34.05 heavy chain, VRC34.05 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2019-09-11
Release date:2020-03-18
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
4Z50
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BU of 4z50 by Molmil
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Tucked Flap
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Agniswamy, J, Shen, C.-H, Weber, I.T.
Deposit date:2015-04-02
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Conformational variation of an extreme drug resistant mutant of HIV protease.
J.Mol.Graph.Model., 62, 2015
4Z4X
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BU of 4z4x by Molmil
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Open Flap
Descriptor: Protease
Authors:Chang, Y.C, Shen, C.-H, Weber, I.T.
Deposit date:2015-04-02
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conformational variation of an extreme drug resistant mutant of HIV protease.
J.Mol.Graph.Model., 62, 2015
6UCE
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BU of 6uce by Molmil
N123-VRC34_pI3 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
Descriptor: HIV fusion peptide, N123-VRC34_pI3 heavy chain, N123-VRC34_pI3 light chain
Authors:Xu, K, Kwong, P.D.
Deposit date:2019-09-16
Release date:2020-03-18
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.382 Å)
Cite:VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
6UCF
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BU of 6ucf by Molmil
N123-VRC34_pI4 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
Descriptor: HIV fusion peptide, N123-VRC34_pI4 heavy chain, N123-VRC34_pI4 light chain
Authors:Xu, K, Kwong, P.D.
Deposit date:2019-09-16
Release date:2020-03-18
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
3NU3
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BU of 3nu3 by Molmil
Wild Type HIV-1 Protease with Antiviral Drug Amprenavir
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T.
Deposit date:2010-07-06
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NU4
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BU of 3nu4 by Molmil
Crystal Structure of HIV-1 Protease Mutant V32I with Antiviral Drug Amprenavir
Descriptor: CHLORIDE ION, SODIUM ION, protease, ...
Authors:Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T.
Deposit date:2010-07-06
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
5E5K
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BU of 5e5k by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
Authors:Kovalevsky, A.Y, Das, A.
Deposit date:2015-10-08
Release date:2016-05-04
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION
Cite:Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
4HEG
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BU of 4heg by Molmil
Crystal Structure of HIV-1 protease mutants R8Q complexed with inhibitor GRL-0519
Descriptor: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease
Authors:Zhang, H, Wang, Y.-F, Weber, I.T.
Deposit date:2012-10-03
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
7MFG
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BU of 7mfg by Molmil
Cryo-EM structure of the VRC310 clinical trial, vaccine-elicited, human antibody 310-030-1D06 Fab in complex with an H1 NC99 HA trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 310-030-1D06 Heavy, 310-030-1D06 Light, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2021-04-09
Release date:2021-11-03
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:A single residue in influenza virus H2 hemagglutinin enhances the breadth of the B cell response elicited by H2 vaccination.
Nat Med, 28, 2022
8DER
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BU of 8der by Molmil
Cryo-EM local refinement of antibody SKV16 in complex with VEEV alphavirus spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SKV16 Fab Heavy Chain, ...
Authors:Casner, R.G, Verardi, R, Roederer, M, Shapiro, L.
Deposit date:2022-06-21
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
8DEQ
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BU of 8deq by Molmil
Cryo-EM local refinement of antibody SKV09 in complex with VEEV alphavirus spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SKV09 Fab Heavy Chain, SKV09 Fab Light Chain, ...
Authors:Casner, R.G, Verardi, R, Roederer, M, Shapiro, L.
Deposit date:2022-06-21
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
6OT1
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BU of 6ot1 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-b.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
Descriptor: 0PV-b.01 heavy, 0PV-b.01 light, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2019-05-02
Release date:2019-08-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019

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