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6O3K
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Crystal structure of the unbound Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3
分子名称: GLYCEROL, PGZL1.H4K3 heavy chain, PGZL1.H4K3 light chain, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-26
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献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
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, GLYCEROL, PGZL1.H4K3 heavy chain, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.105 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3L
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Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41).
分子名称: GLYCEROL, MPER peptide, region 671-683 of HIV-1 gp41, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-26
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O41
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Crystal structure of the unbound PGZL1 germline Fab fragment (PGZL1_gVmDmJ)
分子名称: GLYCEROL, Immunoglobulin G-binding protein G (DOMAIN III), germline PGZL1_gVmDmJ heavy chain, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.465 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6ONV
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Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-027-D05.
分子名称: (3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-04-22
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.253 Å)
主引用文献A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity.
J.Virol., 93, 2019
6OO0
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Crystal structure of bovine Fab NC-Cow1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, NC-Cow1 heavy chain, NC-Cow1 light chain
著者Stanfield, R.L, Wilson, I.A.
登録日2019-04-22
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of broad HIV neutralization by a vaccine-induced cow antibody.
Sci Adv, 6, 2020
6OOO
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BU of 6ooo by Molmil
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-IV-226.
分子名称: (3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-04-23
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Optimization of Small Molecules That Sensitize HIV-1 Infected Cells to Antibody-Dependent Cellular Cytotoxicity.
Acs Med.Chem.Lett., 11, 2020
6OBZ
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BU of 6obz by Molmil
Crystal structure of FluA-20 Fab
分子名称: Heavy chain of FluA-20 Fab, Light chain of FluA-20 Fab, Immunoglobulin light chain
著者Wilson, I.A, Lang, S.
登録日2019-03-21
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A Site of Vulnerability on the Influenza Virus Hemagglutinin Head Domain Trimer Interface.
Cell, 177, 2019
6OPA
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Crystal structure of bovine Fab NC-Cow1 in complex with HIV-1 BG505 SOSIP.664, and human Fabs 35022 and PGT128
分子名称: 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 gp160, ...
著者Stanfield, R.L, Wilson, I.A.
登録日2019-04-24
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4.084 Å)
主引用文献Structural basis of broad HIV neutralization by a vaccine-induced cow antibody.
Sci Adv, 6, 2020
5TKJ
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Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519
分子名称: HIV-1 fusion peptide residue 512-519, SULFATE ION, vFP1.01 chimeric mouse antibody heavy chain, ...
著者Xu, K, Liu, K, Kwong, P.D.
登録日2016-10-06
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.118 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
5TX4
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BU of 5tx4 by Molmil
Derivative of mouse TGF-beta2, with a deletion of residues 52-71 and K25R, R26K, L51R, A74K, C77S, L89V, I92V, K94R T95K, I98V single amino acid substitutions, bound to human TGF-beta type II receptor ectodomain residues 15-130
分子名称: TGF-beta receptor type-2, Transforming growth factor beta-2
著者Hinck, A.P, Kim, S.
登録日2016-11-15
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.876 Å)
主引用文献An engineered transforming growth factor beta (TGF-beta ) monomer that functions as a dominant negative to block TGF-beta signaling.
J. Biol. Chem., 292, 2017
5U22
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BU of 5u22 by Molmil
Structure of N2152 from Neocallimastix frontalis
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ...
著者Jones, D.R, Abbott, D.W.
登録日2016-11-29
公開日2017-06-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Discovery and characterization of family 39 glycoside hydrolases from rumen anaerobic fungi with polyspecific activity on rare arabinosyl substrates.
J. Biol. Chem., 292, 2017
5TZR
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BU of 5tzr by Molmil
GPR40 in complex with partial agonist MK-8666
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ...
著者Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
登録日2016-11-22
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
5U64
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Camel nanobody VHH-28
分子名称: VHH-28
著者Stanfield, R.L, Wilson, I.A.
登録日2016-12-07
公開日2017-09-20
実験手法X-RAY DIFFRACTION (1.153 Å)
主引用文献Selection of nanobodies with broad neutralizing potential against primary HIV-1 strains using soluble subtype C gp140 envelope trimers.
Sci Rep, 7, 2017
5TZY
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BU of 5tzy by Molmil
GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ...
著者Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
登録日2016-11-22
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
5U7M
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BU of 5u7m by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies PGT122 and 35O22 at 3.8 Angstrom
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 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Pancera, M, Lai, Y.-T, Kwong, P.D.
登録日2016-12-12
公開日2017-08-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.025 Å)
主引用文献Crystal structures of trimeric HIV envelope with entry inhibitors BMS-378806 and BMS-626529.
Nat. Chem. Biol., 13, 2017
5TR8
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BU of 5tr8 by Molmil
Crystal structure of vaccine-elicited pan- influenza H1N1 neutralizing murine antibody 441D6.
分子名称: 441D6 Fab Heavy chain, 441D6 Fab Light chain, NICKEL (II) ION
著者Joyce, M.G, Kanekiyo, M, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2016-10-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Mosaic nanoparticle display of diverse influenza virus hemagglutinins elicits broad B cell responses.
Nat.Immunol., 20, 2019
5UMN
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BU of 5umn by Molmil
Crystal structure of C05 VPGSGW mutant bound to H3 influenza hemagglutinin, HA1 subunit
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody C05 VPGSGW mutant, heavy chain, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-01-27
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献In vitro evolution of an influenza broadly neutralizing antibody is modulated by hemagglutinin receptor specificity.
Nat Commun, 8, 2017
5UTY
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BU of 5uty by Molmil
Crystal Structure of a Stabilized DS-SOSIP.mut4 BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, N300M, N302M, T320L in Complex with Human Antibodies PGT122 and 35O22 at 4.1 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ...
著者Xu, K, Chuang, G.-Y, Pancera, M, Kwong, P.D.
登録日2017-02-15
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.412 Å)
主引用文献Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity.
J. Virol., 91, 2017
5U7O
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BU of 5u7o by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-626529 in Complex with Human Antibodies PGT122 and 35O22 at 3.8 Angstrom
分子名称: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 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Pancera, M, Lai, Y.-T, Kwong, P.D.
登録日2016-12-12
公開日2017-08-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.031 Å)
主引用文献Crystal structures of trimeric HIV envelope with entry inhibitors BMS-378806 and BMS-626529.
Nat. Chem. Biol., 13, 2017
5U65
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Camel Nanobody VHH-5
分子名称: SULFATE ION, VHH-5
著者Stanfield, R.L, Wilson, I.A.
登録日2016-12-07
公開日2017-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selection of nanobodies with broad neutralizing potential against primary HIV-1 strains using soluble subtype C gp140 envelope trimers.
Sci Rep, 7, 2017
5URC
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BU of 5urc by Molmil
Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease
分子名称: (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ...
著者Pagare, P.P, Safo, R.S, Gazi, A.
登録日2017-02-10
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease.
Mol. Pharm., 14, 2017
5UTF
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BU of 5utf by Molmil
Crystal Structure of a Stabilized DS-SOSIP.6mut BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, Y177W, N300M, N302M, T320L, I420M in Complex with Human Antibodies PGT122 and 35O22 at 4.3 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35022 Heavy chain, ...
著者Pancera, M, Chuang, G.-Y, Xu, K, Kwong, P.D.
登録日2017-02-14
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity.
J. Virol., 91, 2017
5V7J
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BU of 5v7j by Molmil
Crystal Structure at 3.7 A Resolution of Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer with Four Glycans (N197, N276, N362, and N462) removed in Complex with Neutralizing Antibodies 3H+109L and 35O22.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 35O22 Fab heavy chain, ...
著者Stewart-Jones, G.B.E, Zhou, T, Kwong, P.D.
登録日2017-03-20
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献Quantification of the Impact of the HIV-1-Glycan Shield on Antibody Elicitation.
Cell Rep, 19, 2017
5TX6
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Structure of TGF-beta2 derivative with deletion of residues 52-71 and 10 single amino acid mutations (mmTGF-beta2-7M)
分子名称: CALCIUM ION, Transforming growth factor beta-2
著者Petrunak, E.M, Hinck, A.P.
登録日2016-11-15
公開日2017-03-01
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.746 Å)
主引用文献An engineered transforming growth factor beta (TGF-beta ) monomer that functions as a dominant negative to block TGF-beta signaling.
J. Biol. Chem., 292, 2017

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