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2J9N
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BU of 2j9n by Molmil
Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated crystal contacts
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Viola, R, Carman, P, Walsh, J, Miller, E, Benning, M, Frankel, D, McPherson, A, Cudney, R, Rupp, B.
登録日2006-11-14
公開日2007-04-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Operator Assisted Harvesting of Protein Crystals Using a Universal Micromanipulation Robot.
J.Appl.Crystallogr., 40, 2007
4BL6
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BU of 4bl6 by Molmil
Bicaudal-D uses a parallel, homodimeric coiled coil with heterotypic registry to co-ordinate recruitment of cargos to dynein
分子名称: ARGININE, PROTEIN BICAUDAL D
著者Liu, Y, Salter, H.K, Holding, A.N, Johnson, C.M, Stephens, E, Lukavsky, P.J, Walshaw, J, Bullock, S.L.
登録日2013-05-02
公開日2013-06-12
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Bicaudal-D Uses a Parallel, Homodimeric Coiled Coil with Heterotypic Registry to Coordinate Recruitment of Cargos to Dynein
Genes Dev., 27, 2013
5L57
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BU of 5l57 by Molmil
Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)
分子名称: (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
著者Levy, C.
登録日2016-05-28
公開日2016-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献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
5L58
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BU of 5l58 by Molmil
Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2)
分子名称: 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
著者Levy, C.
登録日2016-05-28
公開日2016-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献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
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
分子名称: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNG
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BU of 8qng by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
分子名称: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNH
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BU of 8qnh by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
分子名称: 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, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
2KLM
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BU of 2klm by Molmil
Solution Structure of L11 with SAXS and RDC
分子名称: 50S ribosomal protein L11
著者Wang, J, Zuo, X, Yu, P, Schwieters, C.D, Wang, Y.
登録日2009-07-06
公開日2009-10-06
最終更新日2024-05-22
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Determination of multicomponent protein structures in solution using global orientation and shape restraints.
J.Am.Chem.Soc., 131, 2009
4KAV
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BU of 4kav by Molmil
Crystal Structure of the soluble domain of Lipooligosaccharide phosphoethanolamine transferase A from Neisseria meningitidis
分子名称: COPPER (II) ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, MAGNESIUM ION, ...
著者Vrielink, A, Wanty, C.
登録日2013-04-23
公開日2013-07-24
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.433 Å)
主引用文献The Structure of the Neisserial Lipooligosaccharide Phosphoethanolamine Transferase A (LptA) Required for Resistance to Polymyxin.
J.Mol.Biol., 425, 2013
4KAY
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BU of 4kay by Molmil
Structure of the soluble domain of Lipooligosaccharide phosphoethanolamine transferase A from Neisseria meningitidis - complex with Zn
分子名称: PHOSPHATE ION, YhbX/YhjW/YijP/YjdB family protein, ZINC ION
著者Vrielink, A, Wanty, C, Anandan, A.
登録日2013-04-23
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献The Structure of the Neisserial Lipooligosaccharide Phosphoethanolamine Transferase A (LptA) Required for Resistance to Polymyxin.
J.Mol.Biol., 425, 2013
6ER4
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BU of 6er4 by Molmil
Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,6 sialyllactose
分子名称: BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2017-10-16
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus.
Nat Commun, 8, 2017
6ER2
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BU of 6er2 by Molmil
Ruminococcus gnavus IT-sialidase CBM40
分子名称: BNR/Asp-box repeat protein
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2017-10-16
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus.
Nat Commun, 8, 2017
6ER3
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BU of 6er3 by Molmil
Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,3 sialyllactose
分子名称: BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2017-10-16
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus.
Nat Commun, 8, 2017
4X49
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BU of 4x49 by Molmil
Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with oseltamivir carboxylate
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, ACETYL GROUP, Anhydrosialidase, ...
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2014-12-02
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
4X47
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BU of 4x47 by Molmil
Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Neu5Ac2en
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Anhydrosialidase, PHOSPHATE ION
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2014-12-02
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
4X6K
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BU of 4x6k by Molmil
Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Siastatin B
分子名称: (2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium, ACETYL GROUP, Anhydrosialidase
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2014-12-08
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
4X4A
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BU of 4x4a by Molmil
Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with 2,7-Anhydro-Neu5Ac
分子名称: 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID, ACETYL GROUP, Anhydrosialidase, ...
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2014-12-02
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
4NG0
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BU of 4ng0 by Molmil
Lar_0958 a cell surface adhesin from lactobacillus reuteri
分子名称: LAR_0958 cell surface adhesin
著者Etzold, S, Mackenzie, D.A, Juge, N, Hemmings, A.M.
登録日2013-11-01
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural and molecular insights into novel surface-exposed mucus adhesins from Lactobacillus reuteri human strains.
Mol.Microbiol., 92, 2014
4MT5
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BU of 4mt5 by Molmil
Crystal structure of Mub-RV
分子名称: Mucus binding proteinn
著者Etzold, S, Juge, N, Hemmings, A.M.
登録日2013-09-19
公開日2014-08-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for adaptation of lactobacilli to gastrointestinal mucus.
ENVIRON.MICROBIOL., 16, 2014

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