6D11
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![BU of 6d11 by Molmil](/molmil-images/mine/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
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![BU of 5e1h by Molmil](/molmil-images/mine/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
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![BU of 5gmj by Molmil](/molmil-images/mine/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
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![BU of 6h1b by Molmil](/molmil-images/mine/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
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![BU of 5hx6 by Molmil](/molmil-images/mine/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
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![BU of 2xfu by Molmil](/molmil-images/mine/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
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![BU of 4nrl by Molmil](/molmil-images/mine/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
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![BU of 2xfn by Molmil](/molmil-images/mine/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
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![BU of 4ki1 by Molmil](/molmil-images/mine/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
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![BU of 3mbm by Molmil](/molmil-images/mine/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
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![BU of 5ah6 by Molmil](/molmil-images/mine/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
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![BU of 5ahb by Molmil](/molmil-images/mine/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
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![BU of 5ah8 by Molmil](/molmil-images/mine/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
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![BU of 5ah7 by Molmil](/molmil-images/mine/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
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![BU of 5agz by Molmil](/molmil-images/mine/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
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![BU of 6kha by Molmil](/molmil-images/mine/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
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![BU of 4kbb by Molmil](/molmil-images/mine/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
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![BU of 5hqi by Molmil](/molmil-images/mine/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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![BU of 5hs8 by Molmil](/molmil-images/mine/5hs8) | |
7Z43
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![BU of 7z43 by Molmil](/molmil-images/mine/7z43) | |
5IDL
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![BU of 5idl by Molmil](/molmil-images/mine/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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7VRG
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![BU of 7vrg by Molmil](/molmil-images/mine/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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5IES
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![BU of 5ies by Molmil](/molmil-images/mine/5ies) | |