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4AJ4
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BU of 4aj4 by Molmil
rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid
Descriptor: 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
5O2S
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BU of 5o2s by Molmil
Human KRAS in complex with darpin K27
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
Deposit date:2017-05-22
Release date:2017-07-26
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange.
Nat Commun, 8, 2017
5O2T
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BU of 5o2t by Molmil
Human KRAS in complex with darpin K27
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ...
Authors:Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
Deposit date:2017-05-22
Release date:2017-07-26
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange.
Nat Commun, 8, 2017
6SFC
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BU of 6sfc by Molmil
EED in complex with a methyl-thiazole
Descriptor: CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Read, J.A.
Deposit date:2019-08-01
Release date:2019-09-25
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
6SFB
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BU of 6sfb by Molmil
EED in complex with a triazolopyrimidine
Descriptor: GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
Authors:Read, J.A.
Deposit date:2019-08-01
Release date:2019-09-25
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
6VBP
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BU of 6vbp by Molmil
Crystal structure of anti-HIV-1 antibody DH815 bound to gp120 V2 peptide
Descriptor: CHLORIDE ION, DH815 heavy chain, DH815 light chain, ...
Authors:Janus, B.M, Ofek, G.
Deposit date:2019-12-19
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
6VBQ
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BU of 6vbq by Molmil
Crystal structure of anti-HIV-1 antibody DH822 bound to gp120 V2 peptide
Descriptor: DH822 heavy chain, DH822 light chain, Envelope glycoprotein gp160
Authors:Janus, B.M, Ofek, G.
Deposit date:2019-12-19
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.116 Å)
Cite:HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
6VBO
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BU of 6vbo by Molmil
Crystal structure of anti-HIV-1 antibody DH813 bound to gp120 V2 peptide
Descriptor: DH813 heavy chain, DH813 light chain, Envelope glycoprotein gp160
Authors:Janus, B.M, Ofek, G.
Deposit date:2019-12-19
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
6MFJ
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BU of 6mfj by Molmil
Crystal structure of the ADCC potent antibody DH677.3 Fab elicited in the RV305 vaccine trial.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH677.3 Fab heavy chain, DH677.3 Fab light chain
Authors:Young, B, Tolbert, W.D, Pazgier, M.
Deposit date:2018-09-11
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
6MFP
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BU of 6mfp by Molmil
Crystal Structure of the RV305 C1-C2 specific ADCC potent antibody DH677.3 Fab in complex with HIV-1 clade A/E gp120 and M48U1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Tolbert, W.D, Young, B, Pazgier, M.
Deposit date:2018-09-11
Release date:2019-09-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
4HPO
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BU of 4hpo by Molmil
Crystal structure of RV144-elicited antibody CH58 in complex with V2 peptide
Descriptor: CH58 Fab heavy chain, CH58 Fab light chain, Envelope glycoprotein gp160, ...
Authors:McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D.
Deposit date:2012-10-24
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
4HPY
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BU of 4hpy by Molmil
Crystal structure of RV144-elicited antibody CH59 in complex with V2 peptide
Descriptor: CH59 Fab heavy chain, CH59 Fab light chain, Envelope glycoprotein gp160, ...
Authors:McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D.
Deposit date:2012-10-24
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
4HQQ
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BU of 4hqq by Molmil
Crystal structure of RV144-elicited antibody CH58
Descriptor: CH58 Fab heavy chain, CH58 Fab light chain
Authors:McLellan, J.S, Haynes, B.F, Kwong, P.D.
Deposit date:2012-10-25
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
5UIX
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BU of 5uix by Molmil
Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial
Descriptor: DH576 Fab heavy chain, DH576 Fab light chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2017-01-15
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Boosting of HIV envelope CD4 binding site antibodies with long variable heavy third complementarity determining region in the randomized double blind RV305 HIV-1 vaccine trial.
PLoS Pathog., 13, 2017
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