2ZX8
| alpha-L-fucosidase complexed with inhibitor, F10-2C-O | Descriptor: | Alpha-L-fucosidase, putative, N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2008-12-19 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range. Angew.Chem.Int.Ed.Engl., 49, 2010
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2NNA
| Structure of the MHC class II molecule HLA-DQ8 bound with a deamidated gluten peptide | Descriptor: | MHC class II antigen, gluten peptide | Authors: | Henderson, K.N, Tye-Din, J.A, Rossjohn, J, Anderson, R.P. | Deposit date: | 2006-10-24 | Release date: | 2007-09-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural and immunological basis for the role of human leukocyte antigen DQ8 in celiac disease Immunity, 27, 2007
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3R7W
| Crystal Structure of Gtr1p-Gtr2p complex | Descriptor: | GTP-binding protein GTR1, GTP-binding protein GTR2, MAGNESIUM ION, ... | Authors: | Gong, R, Li, L, Liu, Y, Wang, P, Yang, H, Wang, L, Cheng, J, Guan, K.L, Xu, Y. | Deposit date: | 2011-03-23 | Release date: | 2011-08-24 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (2.773 Å) | Cite: | Crystal structure of the Gtr1p-Gtr2p complex reveals new insights into the amino acid-induced TORC1 activation Genes Dev., 25, 2011
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5LNV
| Crystal structure of Arabidopsis thaliana Pdx1-I320 complex from multiple crystals | Descriptor: | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2018-09-19 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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8UAX
| Structure of Alanyl-5'-O-adenosine phosphoramidate/RNase A | Descriptor: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoic acid (non-preferred name), DI(HYDROXYETHYL)ETHER, Ribonuclease pancreatic | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2023-09-22 | Release date: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Prolinyl Phosphoramidates of Nucleotides with Increased Reactivity. Angew.Chem.Int.Ed.Engl., 63, 2024
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2NNP
| Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, GLYCEROL, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-24 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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8UAY
| Structure of Arginyl-5'-O-adenosine phosphoramidate/RNase A | Descriptor: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}-5-carbamimidamidopentanoic acid (non-preferred name), DI(HYDROXYETHYL)ETHER, Ribonuclease pancreatic | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2023-09-22 | Release date: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Prolinyl Phosphoramidates of Nucleotides with Increased Reactivity. Angew.Chem.Int.Ed.Engl., 63, 2024
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8UAZ
| Structure of Glutamyl-5'-O-adenosine phosphoramidate/RNase A | Descriptor: | (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}pentanedioic acid (non-preferred name), DI(HYDROXYETHYL)ETHER, Ribonuclease pancreatic | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2023-09-22 | Release date: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Prolinyl Phosphoramidates of Nucleotides with Increased Reactivity. Angew.Chem.Int.Ed.Engl., 63, 2024
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6OP9
| HER3 pseudokinase domain bound to bosutinib | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Receptor tyrosine-protein kinase erbB-3 | Authors: | Littlefield, P, Agnew, C, Jura, N. | Deposit date: | 2019-04-24 | Release date: | 2019-08-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Targetable HER3 functions driving tumorigenic signaling in HER2-amplified cancers. Cell Rep, 38, 2022
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2NQA
| Catalytic Domain of Human Calpain 8 | Descriptor: | CALCIUM ION, Calpain-8, Leupeptin Inhibitor | Authors: | Davis, T.L, Paramanathan, R, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-10-30 | Release date: | 2006-11-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Human Calpain 8 To be Published
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8UB1
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8UB2
| Structure of Adenosine monophosphate/RNase A | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Ribonuclease pancreatic | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2023-09-22 | Release date: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Prolinyl Phosphoramidates of Nucleotides with Increased Reactivity. Angew.Chem.Int.Ed.Engl., 63, 2024
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6ECD
| Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a tetradepsipeptide | Descriptor: | Vlm2, tetradepsipeptide | Authors: | Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M. | Deposit date: | 2018-08-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid. Nature, 565, 2019
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7TP7
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5J86
| Crystal Structure of Hsp90-alpha N-domain in complex with 2,4-Dihydroxy-N-methyl-5-(5-oxo-4-o-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-N-thiophen-2-ylmethyl-benzamide | Descriptor: | 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide, Heat shock protein HSP 90-alpha | Authors: | Amaral, M, Matias, P. | Deposit date: | 2016-04-07 | Release date: | 2017-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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1OC7
| D405N mutant of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with methyl-tetrathio-alpha-d-cellopentoside at 1.1 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CELLOBIOHYDROLASE II, ... | Authors: | Varrot, A, Frandsen, T.P, Von Ossowski, I, Boyer, V, Driguez, H, Schulein, M, Davies, G.J. | Deposit date: | 2003-02-06 | Release date: | 2003-07-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Structural Basis for Ligand Binding and Processivity in Cellobiohydrolase Cel6A from Humicola Insolens Structure, 11, 2003
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2NQC
| Crystal structure of ig-like domain 23 from human filamin C | Descriptor: | Filamin-C, GLYCEROL, IMIDAZOLE, ... | Authors: | Sjekloca, L, Pudas, R, Sjoeblom, B, Konarev, P, Carugo, O, Rybin, V, Kiema, T.R, Svergun, D, Ylanne, J, Djinovic-Carugo, K. | Deposit date: | 2006-10-31 | Release date: | 2007-09-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of human filamin C domain 23 and small angle scattering model for filamin C 23-24 dimer J.Mol.Biol., 368, 2007
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2NQI
| Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-type inhibitor. | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | Deposit date: | 2006-10-31 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries J.Biol.Chem., 282, 2007
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3RBU
| N-terminally AviTEV-tagged Human Glutamate Carboxypeptidase II in complex with 2-PMPA | Descriptor: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tykvart, J, Sacha, P, Barinka, C, Starkova, J, Knedlik, T, Lubkowski, J, Konvalinka, J. | Deposit date: | 2011-03-30 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Efficient and versatile one-step affinity purification of in vivo biotinylated proteins: Expression, characterization and structure analysis of recombinant human glutamate carboxypeptidase II. Protein Expr.Purif., 82, 2012
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1OBU
| Apocrustacyanin C1 crystals grown in space and earth using vapour diffusion geometry | Descriptor: | CRUSTACYANIN C1 SUBUNIT | Authors: | Habash, J, Boggon, T.J, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | Deposit date: | 2003-01-31 | Release date: | 2003-07-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Apocrustacyanin C(1) Crystals Grown in Space and on Earth Using Vapour-Diffusion Geometry: Protein Structure Refinements and Electron-Density Map Comparisons Acta Crystallogr.,Sect.D, 59, 2003
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1OCB
| Structure of the wild-type cellobiohydrolase Cel6A from Humicolas insolens in complex with a fluorescent substrate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-4-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-methyl 4-thio-beta-D-glucopyranoside, CELLOBIOHYDROLASE II, ... | Authors: | Varrot, A, Frandsen, T.P, Von Ossowski, I, Boyer, V, Driguez, H, Schulein, M, Davies, G.J. | Deposit date: | 2003-02-07 | Release date: | 2003-07-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Ligand Binding and Processivity in Cellobiohydrolase Cel6A from Humicola Insolens Structure, 11, 2003
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6RUA
| Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P. | Deposit date: | 2019-05-27 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes. J Enzyme Inhib Med Chem, 35, 2020
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3A08
| Structure of (PPG)4-OOG-(PPG)4, monoclinic, twinned crystal | Descriptor: | collagen-like peptide | Authors: | Okuyama, K, Morimoto, T, Wu, G, Noguchi, K, Mizuno, K, Bachinger, H.P. | Deposit date: | 2009-03-06 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Two crystal modifications of (Pro-Pro-Gly)4-Hyp-Hyp-Gly-(Pro-Pro-Gly)4 reveal the puckering preference of Hyp(X) in the Hyp(X):Hyp(Y) and Hyp(X):Pro(Y) stacking pairs in collagen helices. Acta Crystallogr.,Sect.D, 66, 2010
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5M4J
| Crystal Structure of Wild-Type Human Prolidase with GlyPro ligand | Descriptor: | GLYCEROL, GLYCINE, PROLINE, ... | Authors: | Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H. | Deposit date: | 2016-10-18 | Release date: | 2017-07-12 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Substrate specificity and reaction mechanism of human prolidase. FEBS J., 284, 2017
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6RGM
| urate oxidase under 130 bar of krypton | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ACETATE ION, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2019-04-17 | Release date: | 2020-05-13 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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