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PDB: 901 results

8SD4
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Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
Descriptor: (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Kadam, R.U, Zhu, X, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SD2
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Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4
Descriptor: (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kadam, R.U, Zhu, X.Y, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SDH
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.56
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neutralizing antibody CC25.56 Heavy Chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-08-07
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
3P3S
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BU of 3p3s by Molmil
Human transthyretin (TTR) complexed with (Z)-5-(3,5-dibromo-4-hydroxybenzylidene)-imino-1-methylimidazolidin-4-one
Descriptor: (5Z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4H-imidazol-4-one, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2010-10-05
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity.
Sci Transl Med, 3, 2011
2GAR
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BU of 2gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
Authors:Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
Deposit date:1998-05-13
Release date:1998-08-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
2IAD
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BU of 2iad by Molmil
CLASS II MHC I-AD IN COMPLEX WITH AN INFLUENZA HEMAGGLUTININ PEPTIDE 126-138
Descriptor: MHC CLASS II I-AD
Authors:Scott, C.A, Peterson, P.A, Teyton, L, Wilson, I.A.
Deposit date:1998-03-13
Release date:1998-11-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of two I-Ad-peptide complexes reveal that high affinity can be achieved without large anchor residues.
Immunity, 8, 1998
7LK9
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Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC
Descriptor: COV107-23 heavy chain, COVD21-C8 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-01
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
7LKA
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Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23
Descriptor: ACETATE ION, COV107-23 heavy chain, COV107-23 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-02
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
7LM8
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Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with two cross-neutralizing antibodies CV38-142 and COVA1-16 Fabs isolated from COVID-19 patients
Descriptor: 1,2-ETHANEDIOL, COVA1-16 Fab heavy chain, COVA1-16 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2021-02-05
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:A combination of cross-neutralizing antibodies synergizes to prevent SARS-CoV-2 and SARS-CoV pseudovirus infection.
Cell Host Microbe, 29, 2021
7LM9
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Crystal structure of SARS-CoV spike protein receptor-binding domain in complex with a cross-neutralizing antibody CV38-142 Fab isolated from COVID-19 patient
Descriptor: 1,2-ETHANEDIOL, CV38-142 Fab heavy chain, CV38-142 Fab light chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-02-05
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:A combination of cross-neutralizing antibodies synergizes to prevent SARS-CoV-2 and SARS-CoV pseudovirus infection.
Cell Host Microbe, 29, 2021
1THZ
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BU of 1thz by Molmil
Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening
Descriptor: 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID, Bifunctional purine biosynthesis protein PURH, POTASSIUM ION
Authors:Xu, L, Li, C, Olson, A.J, Wilson, I.A.
Deposit date:2004-06-01
Release date:2004-09-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening.
J.Biol.Chem., 279, 2004
5IDL
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BU of 5idl by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8
Authors:Julien, J.P, Ereno-Orbea, J, Jardine, J.G, Schief, W.R, Wilson, I.A.
Deposit date:2016-02-24
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
5IES
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BU of 5ies by Molmil
Crystal structure of VRC01c-HuGL2 Fab from an HIV-1 naive donor in complex with with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.16 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, ...
Authors:Sarkar, A, Wilson, I.A.
Deposit date:2016-02-25
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
5IFA
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BU of 5ifa by Molmil
Crystal structure of unbound VRC01c-HuGL2 Fab from an HIV-1 naive donor at 1.82 A
Descriptor: GLYCEROL, PENTAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Sarkar, A, Wilson, I.A.
Deposit date:2016-02-25
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.821 Å)
Cite:HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
5JS9
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Uncleaved prefusion optimized gp140 trimer with an engineered 8-residue HR1 turn bound to broadly neutralizing antibodies 8ANC195 and PGT128
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2016-05-07
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (6.918 Å)
Cite:Uncleaved prefusion-optimized gp140 trimers derived from analysis of HIV-1 envelope metastability.
Nat Commun, 7, 2016
5JOP
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BU of 5jop by Molmil
Crystal structure of anti-glycan antibody Fab14.22 in complex with Streptococcus pneumoniae serotype 14 tetrasaccharide at 1.75 A
Descriptor: Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ...
Authors:Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A.
Deposit date:2016-05-02
Release date:2017-03-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:T cells control the generation of nanomolar-affinity anti-glycan antibodies.
J. Clin. Invest., 127, 2017
5JSA
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Uncleaved prefusion optimized gp140 trimer with an engineered 10-residue HR1 turn bound to broadly neutralizing antibodies 8ANC195 and PGT128
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2016-05-07
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (6.308 Å)
Cite:Uncleaved prefusion-optimized gp140 trimers derived from analysis of HIV-1 envelope metastability.
Nat Commun, 7, 2016
5IJV
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BU of 5ijv by Molmil
Crystal structure of bovine Fab E03
Descriptor: bovine Fab E03 heavy chain, bovine Fab E03 light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2016-03-02
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conservation and diversity in the ultralong third heavy-chain complementarity-determining region of bovine antibodies.
Sci Immunol, 1, 2016
6W05
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BU of 6w05 by Molmil
Crystal structure of Fab356 in complex with NPNA2 peptide from circumsporozoite protein
Descriptor: Fab356 heavy chain, Fab356 light chain, NPNA2 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-02-29
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.516 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6W00
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BU of 6w00 by Molmil
Crystal structure of Fab239 in complex with NPNA2 peptide from circumsporozoite protein
Descriptor: Fab239 heavy chain, Fab239 light chain, Immunoglobulin G-binding protein G, ...
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-02-28
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
5KUX
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BU of 5kux by Molmil
Designed influenza hemagglutinin binding protein HSB.2
Descriptor: Designed influenza inhibitor protein HSB.2
Authors:Lee, P.S, Bernard, S.M, Wilson, I.A.
Deposit date:2016-07-13
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
5JOR
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BU of 5jor by Molmil
Crystal structure of unbound anti-glycan antibody Fab14.22 at 2.2 A
Descriptor: Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ...
Authors:Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A.
Deposit date:2016-05-02
Release date:2017-03-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:T cells control the generation of nanomolar-affinity anti-glycan antibodies.
J. Clin. Invest., 127, 2017
5KUY
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Influenza hemagglutinin H3 A/Hong Kong/1/1968 in complex with designed inhibitor protein HSB.2A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Designed influenza inhibitor HSB.2A, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2016-07-13
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
6WG1
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BU of 6wg1 by Molmil
Crystal structure of Fab399 in complex with NPNA6 peptide from circumsporozoite protein
Descriptor: Fab399 heavy chain, Fab399 light chain, NPNA6 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.086 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6WFX
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BU of 6wfx by Molmil
Crystal structure of Fab395 in complex with NPNA2 peptide from circumsporozoite protein
Descriptor: Fab395 heavy chain, Fab395 light chain, NPNA2 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021

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PDB entries from 2024-09-11

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