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3TGR
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BU of 3tgr by Molmil
Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TGT
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BU of 3tgt by Molmil
Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
7M2P
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BU of 7m2p by Molmil
Structure of the SARS-CoV-2 3CL protease in complex with inhibitor 18
Descriptor: 3C-like proteinase, Inhibitor 18 in bound form
Authors:Yang, K, Li, L.
Deposit date:2021-03-17
Release date:2021-08-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Self-Masked Aldehyde Inhibitors: A Novel Strategy for Inhibiting Cysteine Proteases.
J.Med.Chem., 64, 2021
3TGQ
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BU of 3tgq by Molmil
Crystal structure of unliganded HIV-1 clade B strain YU2 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
5QJ1
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BU of 5qj1 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide
Descriptor: 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, RNA-dependent RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
8D7U
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BU of 8d7u by Molmil
Cereblon~DDB1 bound to CC-92480 with DDB1 in the linear conformation
Descriptor: DNA damage-binding protein 1, Mezigdomide, Protein cereblon, ...
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
8D81
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BU of 8d81 by Molmil
Cereblon~DDB1 bound to Pomalidomide
Descriptor: DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ...
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
3TGS
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BU of 3tgs by Molmil
Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 core, N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TIH
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BU of 3tih by Molmil
Crystal structure of unliganded HIV-1 clade C strain ZM109F.PB4 gp120 core
Descriptor: HIV-1 clade C ZM109F.PB4 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-20
Release date:2012-04-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (4 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
7VFJ
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BU of 7vfj by Molmil
Cytochrome c-type biogenesis protein CcmABCD
Descriptor: Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ...
Authors:Zhu, J.P, Zhang, K, Li, J, Zheng, W, Gu, M.
Deposit date:2021-09-13
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
7VFP
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BU of 7vfp by Molmil
Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with heme and single ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
Authors:Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P.
Deposit date:2021-09-13
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
8D7V
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BU of 8d7v by Molmil
Cereblon~DDB1 bound to CC-92480 with DDB1 in the twisted conformation
Descriptor: DNA damage-binding protein 1, Mezigdomide, Protein cereblon, ...
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
8D7W
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BU of 8d7w by Molmil
Cereblon~DDB1 bound to CC-92480 with DDB1 in the hinged conformation
Descriptor: DNA damage-binding protein 1, Mezigdomide, Protein cereblon, ...
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
8D7Z
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BU of 8d7z by Molmil
Cereblon-DDB1 bound to CC-92480 and Ikaros ZF1-2-3
Descriptor: DNA damage-binding protein 1, DNA-binding protein Ikaros, Mezigdomide, ...
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
5QJ0
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BU of 5qj0 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
Descriptor: 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
8CVP
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BU of 8cvp by Molmil
Cereblon-DDB1 in the Apo form
Descriptor: DNA damage-binding protein 1, Protein cereblon, ZINC ION
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-05-18
Release date:2022-07-20
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
8D80
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BU of 8d80 by Molmil
Cereblon~DDB1 bound to Iberdomide and Ikaros ZF1-2-3
Descriptor: (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, DNA-binding protein Ikaros, ...
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
7MYF
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BU of 7myf by Molmil
Ubiquitin variant UbV.k.1 in complex with Ube2k
Descriptor: Ubiquitin, Ubiquitin variant UbV.k.1, Ubiquitin-conjugating enzyme E2 K
Authors:Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S.
Deposit date:2021-05-21
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
6CE0
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BU of 6ce0 by Molmil
Crystal structure of a HIV-1 clade B tier-3 isolate H078.14 UFO-BG Env trimer in complex with broadly neutralizing Fabs PGT124 and 35O22 at 4.6 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy chain, ...
Authors:Kumar, S, Sarkar, A, Wilson, I.A.
Deposit date:2018-02-09
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.602 Å)
Cite:HIV-1 vaccine design through minimizing envelope metastability.
Sci Adv, 4, 2018
7JTG
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BU of 7jtg by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody RM11-43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2020-08-17
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:HCV Env immunization elicits a rapid VH1-69-like broadly neutralizing antibody response in rhesus macaques
Immunity, 2021
7JTF
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BU of 7jtf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody RM2-01
Descriptor: Envelope glycoprotein E2, RM2-01 Fab heavy chain, RM2-01 Fab light chain
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2020-08-17
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:HCV Env immunization elicits a rapid VH1-69-like broadly neutralizing antibody response in rhesus macaques
Immunity, 2021
4HVB
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BU of 4hvb by Molmil
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
Descriptor: 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Cheng, H.
Deposit date:2012-11-05
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
6O3G
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BU of 6o3g by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41).
Descriptor: GLYCEROL, MEPER peptide, region 671-683 of HIV-1 gp41, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-26
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.645 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3K
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BU of 6o3k by Molmil
Crystal structure of the unbound Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3
Descriptor: GLYCEROL, PGZL1.H4K3 heavy chain, PGZL1.H4K3 light chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-26
Release date:2019-12-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3U
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BU of 6o3u by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3 in complex with 06:0 PA
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, GLYCEROL, PGZL1.H4K3 heavy chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-27
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019

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