6D11
 
 | | Crystal structure of 1450 Fab in complex with circumsporozoite protein NANP5 | | Descriptor: | 1450 Antibody, Heavy chain, Light chain, ... | | Authors: | Scally, S.W, Bosch, A, Imkeller, K, Wardemann, H, Julien, J.P. | | Deposit date: | 2018-04-11 | | Release date: | 2018-06-13 | | Last modified: | 2018-07-04 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Antihomotypic affinity maturation improves human B cell responses against a repetitive epitope.
Science, 360, 2018
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5E1H
 | | Ricin toxin in complex with neutralizing single chain monoclonal antibodies (VHHs) | | Descriptor: | CHLORIDE ION, F8(JOB10) VHH antibody, Ricin | | Authors: | Rudolph, M.J, Vance, D, Shoemaker, C, Mantis, N. | | Deposit date: | 2015-09-29 | | Release date: | 2016-08-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.032 Å) | | Cite: | Structural analysis of nested neutralizing and non-neutralizing B cell epitopes on ricin toxin's enzymatic subunit.
Proteins, 84, 2016
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5GMJ
 | | Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus | | Descriptor: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule B | | Authors: | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | | Deposit date: | 2016-07-14 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.986 Å) | | Cite: | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
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6H1B
 | | Structure of amide bond synthetase Mcba K483A mutant from Marinactinospora thermotolerans | | Descriptor: | 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid, ADENOSINE MONOPHOSPHATE, Fatty acid CoA ligase | | Authors: | Rowlinson, B, Petchey, M, Cuetos, A, Frese, A, Dannevald, S, Grogan, G. | | Deposit date: | 2018-07-11 | | Release date: | 2018-09-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Broad Aryl Acid Specificity of the Amide Bond Synthetase McbA Suggests Potential for the Biocatalytic Synthesis of Amides.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5EBX
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5HX6
 | | Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one | | Descriptor: | 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Campobasso, N, Ward, P. | | Deposit date: | 2016-01-29 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
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2XFU
 | | Human monoamine oxidase B with tranylcypromine | | Descriptor: | 3-PHENYLPROPANAL, Amine oxidase [flavin-containing] B, [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE | | Authors: | Binda, C, Li, M, Hubalek, F, Restelli, N, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2010-05-26 | | Release date: | 2010-06-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Potentiation of ligand binding through cooperative effects in monoamine oxidase B.
J. Biol. Chem., 285, 2010
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4NRL
 | | Structure of hemagglutinin with F95Y mutation of influenza virus B/Lee/40 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | Ni, F, Mbawuike, I.N, Kondrashkina, E, Wang, Q. | | Deposit date: | 2013-11-26 | | Release date: | 2014-03-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | The roles of hemagglutinin Phe-95 in receptor binding and pathogenicity of influenza B virus.
Virology, 450-451, 2014
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5W0D
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2XFN
 | | Human monoamine oxidase B in complex with 2-(2-benzofuranyl)-2- imidazoline | | Descriptor: | 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2010-05-26 | | Release date: | 2010-10-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Potentiation of ligand binding through cooperative effects in monoamine oxidase B.
J. Biol. Chem., 285, 2010
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4KI1
 | | Primitive triclinic crystal form of the human IgE-Fc(epsilon)3-4 bound to its B cell receptor derCD23 | | Descriptor: | IG EPSILON CHAIN C REGION, LOW AFFINITY IMMUNOGLOBULIN EPSILON FC RECEPTOR, alpha-D-mannopyranose-(1-3)-[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: | Dhaliwal, B, Pang, M.O.Y, Sutton, B.J, Beavil, A.J. | | Deposit date: | 2013-05-01 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A range of C3-C4 interdomain angles in IgE Fc accommodate binding to its receptor CD23.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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3MBM
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine and FoL fragment 717, imidazo[2,1-b][1,3]thiazol-6-ylmethanol | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2010-03-25 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
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5AH6
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | Descriptor: | (3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | | Deposit date: | 2015-02-05 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
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5AHB
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | Descriptor: | (3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | | Deposit date: | 2015-02-05 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
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5AH8
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | Descriptor: | (3R,3aS,4R,6aR)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | | Deposit date: | 2015-02-05 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
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5AH7
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | Descriptor: | (3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE | | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | | Deposit date: | 2015-02-05 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
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5AGZ
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | Descriptor: | (3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | | Deposit date: | 2015-02-04 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
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6KHA
 | | Solution structure of bovine insulin amyloid intermediate-2 | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A. | | Deposit date: | 2019-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2020-11-18 | | Method: | SOLUTION NMR | | Cite: | High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
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4KBB
 | | Structure of Botulinum neurotoxin B binding domain in complex with both synaptotagmin II and GD1a | | Descriptor: | Botulinum neurotoxin type B, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Berntsson, R.P.A, Peng, L, Dong, M, Stenmark, P. | | Deposit date: | 2013-04-23 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of dual receptor binding to botulinum neurotoxin B.
Nat Commun, 4, 2013
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5HQI
 | | Insulin with proline analog HzP at position B28 in the T2 state | | Descriptor: | Insulin A-Chain, Insulin B-Chain | | Authors: | Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. | | Deposit date: | 2016-01-21 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
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5HS8
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7Z43
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7VRG
 | | Crystal structure of chitinase-h from O. furnacalis in complex with Lynamicin B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ... | | Authors: | Lu, Q, Liu, T, Zhou, Y, Yang, Q. | | Deposit date: | 2021-10-22 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Lynamicin B is a Potential Pesticide by Acting as a Lepidoptera-Exclusive Chitinase Inhibitor.
J.Agric.Food Chem., 69, 2021
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5IDL
 | | 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
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5IES
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