5TY6
| Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 13-1b02 Fab. | Descriptor: | GLYCEROL, VRC 315 13-1b02 Fab Heavy chain, VRC 315 13-1b02 Fab Light chain | Authors: | Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D. | Deposit date: | 2016-11-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.361 Å) | Cite: | Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans. Sci Immunol, 2, 2017
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6EE9
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5HNE
| X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR | Descriptor: | 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ... | Authors: | Somers, D.O. | Deposit date: | 2016-01-18 | Release date: | 2016-05-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors. Acs Med.Chem.Lett., 7, 2016
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4FC0
| Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor | Descriptor: | 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf | Authors: | Yano, J.K, Aertgeerts, K. | Deposit date: | 2012-05-23 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives. Bioorg.Med.Chem., 20, 2012
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7CCZ
| Crystal structure of the ES2 intermediate form of human hydroxymethylbilane synthase | Descriptor: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase | Authors: | Sato, H, Sugishima, M, Wada, K, Hirabayashi, K, Tsukaguchi, M. | Deposit date: | 2020-06-18 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structures of hydroxymethylbilane synthase complexed with a substrate analog: a single substrate-binding site for four consecutive condensation steps. Biochem.J., 478, 2021
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7CD0
| Crystal structure of the 2-iodoporphobilinogen-bound ES2 intermediate form of human hydroxymethylbilane synthase | Descriptor: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase | Authors: | Sato, H, Sugishima, M, Wada, K, Hirabayashi, K, Tsukaguchi, M. | Deposit date: | 2020-06-18 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal structures of hydroxymethylbilane synthase complexed with a substrate analog: a single substrate-binding site for four consecutive condensation steps. Biochem.J., 478, 2021
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7CCX
| Crystal structure of the holo form of human hydroxymethylbilane synthase | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase | Authors: | Sato, H, Sugishima, M, Wada, K, Hirabayashi, K, Tsukaguchi, M. | Deposit date: | 2020-06-18 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structures of hydroxymethylbilane synthase complexed with a substrate analog: a single substrate-binding site for four consecutive condensation steps. Biochem.J., 478, 2021
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5U4R
| Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 53-1A09 Fab. | Descriptor: | VRC 315 53-1A09 Fab Heavy chain, VRC 315 53-1A09 Fab Light chain | Authors: | Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D. | Deposit date: | 2016-12-05 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans. Sci Immunol, 2, 2017
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7CCY
| Crystal structure of the 2-iodoporphobilinogen-bound holo form of human hydroxymethylbilane synthase | Descriptor: | 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid, 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase | Authors: | Sato, H, Sugishima, M, Wada, K, Hirabayashi, K, Tsukaguchi, M. | Deposit date: | 2020-06-18 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of hydroxymethylbilane synthase complexed with a substrate analog: a single substrate-binding site for four consecutive condensation steps. Biochem.J., 478, 2021
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6K73
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6IA5
| Crystal Structure Analysis of Bacillus subtilis 168 XepA | Descriptor: | ACETATE ION, GLYCEROL, Phage-like element PBSX protein XepA | Authors: | Freitag-Pohl, S, Pohl, E. | Deposit date: | 2018-11-26 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS. Acta Crystallogr D Struct Biol, 75, 2019
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3RR4
| tRNA-Guanine Transglycosylase in complex with N-Methyl-lin-Benzoguanine Inhibitor | Descriptor: | 2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Klebe, G, Immekus, F, Heine, A. | Deposit date: | 2011-04-29 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters. Chemistry, 18, 2012
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4I3R
| Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P3221 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ... | Authors: | Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D. | Deposit date: | 2012-11-26 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04. J.Virol., 87, 2013
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7XGA
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4ZMH
| Crystal structure of a five-domain GH115 alpha-Glucuronidase from the Marine Bacterium Saccharophagus degradans 2-40T | Descriptor: | ACETATE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Nocek, B, Cui, H, Wang, W, Savchenko, A. | Deposit date: | 2015-05-04 | Release date: | 2016-05-04 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Biochemical and Structural Characterization of a Five-domain GH115 alpha-Glucuronidase from the Marine Bacterium Saccharophagus degradans 2-40T. J.Biol.Chem., 291, 2016
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7WN2
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7WNB
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7YOW
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5DT1
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4I3S
| Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P21 | Descriptor: | CALCIUM ION, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ... | Authors: | Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D. | Deposit date: | 2012-11-26 | Release date: | 2013-01-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04. J.Virol., 87, 2013
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7FB7
| Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ... | Authors: | Kori, S, Arita, K, Yoshimi, S. | Deposit date: | 2021-07-08 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1. Bioorg.Med.Chem., 52, 2021
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8CM8
| Galectin-8 N-terminal carbohydrate recognition domain in complex with 4-(bromophenyl)phthalazinone D-galactal ligand | Descriptor: | 4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one, CHLORIDE ION, Galectin-8 | Authors: | Van Klaveren, S, Hakansson, M, Diehl, C, Nilsson, N.J. | Deposit date: | 2023-02-17 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Halogenated Galactal-Phenylphthalazinone Hybrids as Highly Selective Galectin-8N Ligands To Be Published
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6I8W
| Crystal structure of a membrane phospholipase A, a novel bacterial virulence factor | Descriptor: | Alpha/beta fold hydrolase, CARBON DIOXIDE, ISOPROPYL ALCOHOL, ... | Authors: | Granzin, J, Batra-Safferling, R. | Deposit date: | 2018-11-21 | Release date: | 2019-11-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, mechanistic, and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa. Elife, 11, 2022
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5DPN
| Engineered CBM X-2 L110F in complex with branched carbohydrate XXXG. | Descriptor: | CALCIUM ION, Xylanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Ohlin, M. | Deposit date: | 2015-09-13 | Release date: | 2015-10-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | Cite: | Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand. Biochemistry, 54, 2015
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5AV7
| Crystal structure of Calsepa lectin in complex with bisected glycan | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]methyl alpha-D-mannopyranoside, Lectin | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2015-06-12 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins Sci Rep, 6, 2016
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