2J9N
| Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated crystal contacts | Descriptor: | BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Viola, R, Carman, P, Walsh, J, Miller, E, Benning, M, Frankel, D, McPherson, A, Cudney, R, Rupp, B. | Deposit date: | 2006-11-14 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Operator Assisted Harvesting of Protein Crystals Using a Universal Micromanipulation Robot. J.Appl.Crystallogr., 40, 2007
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4BL6
| Bicaudal-D uses a parallel, homodimeric coiled coil with heterotypic registry to co-ordinate recruitment of cargos to dynein | Descriptor: | ARGININE, PROTEIN BICAUDAL D | Authors: | Liu, Y, Salter, H.K, Holding, A.N, Johnson, C.M, Stephens, E, Lukavsky, P.J, Walshaw, J, Bullock, S.L. | Deposit date: | 2013-05-02 | Release date: | 2013-06-12 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Bicaudal-D Uses a Parallel, Homodimeric Coiled Coil with Heterotypic Registry to Coordinate Recruitment of Cargos to Dynein Genes Dev., 27, 2013
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5L57
| Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a) | Descriptor: | (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Levy, C. | Deposit date: | 2016-05-28 | Release date: | 2016-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells. J.Med.Chem., 59, 2016
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5L58
| Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2) | Descriptor: | 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Levy, C. | Deposit date: | 2016-05-28 | Release date: | 2016-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells. J.Med.Chem., 59, 2016
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8QNI
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8QNG
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8QNH
| Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | Descriptor: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-09-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity. Acs Med.Chem.Lett., 14, 2023
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2KLM
| Solution Structure of L11 with SAXS and RDC | Descriptor: | 50S ribosomal protein L11 | Authors: | Wang, J, Zuo, X, Yu, P, Schwieters, C.D, Wang, Y. | Deposit date: | 2009-07-06 | Release date: | 2009-10-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Determination of multicomponent protein structures in solution using global orientation and shape restraints. J.Am.Chem.Soc., 131, 2009
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4KAY
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4KAV
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4X47
| Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Neu5Ac2en | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Anhydrosialidase, PHOSPHATE ION | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2014-12-02 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
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4X6K
| Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Siastatin B | Descriptor: | (2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium, ACETYL GROUP, Anhydrosialidase | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2014-12-08 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
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4X4A
| Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with 2,7-Anhydro-Neu5Ac | Descriptor: | 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID, ACETYL GROUP, Anhydrosialidase, ... | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2014-12-02 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
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6ER3
| Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,3 sialyllactose | Descriptor: | BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2017-10-16 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus. Nat Commun, 8, 2017
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6ER4
| Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,6 sialyllactose | Descriptor: | BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2017-10-16 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus. Nat Commun, 8, 2017
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6ER2
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4X49
| Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with oseltamivir carboxylate | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, ACETYL GROUP, Anhydrosialidase, ... | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2014-12-02 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
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4MT5
| Crystal structure of Mub-RV | Descriptor: | Mucus binding proteinn | Authors: | Etzold, S, Juge, N, Hemmings, A.M. | Deposit date: | 2013-09-19 | Release date: | 2014-08-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for adaptation of lactobacilli to gastrointestinal mucus. ENVIRON.MICROBIOL., 16, 2014
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4NG0
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