1VTN
| CO-CRYSTAL STRUCTURE OF THE HNF-3/FORK HEAD DNA-RECOGNITION MOTIF RESEMBLES HISTONE H5 | Descriptor: | DNA (5'-D(*GP*AP*CP*TP*AP*AP*GP*TP*CP*AP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*TP*GP*AP*CP*TP*TP*AP*GP*TP*C)-3'), HNF-3/FORK HEAD DNA-RECOGNITION MOTIF, ... | Authors: | Clark, K.L, Halay, E.D, Lai, E, Burley, S.K. | Deposit date: | 1995-01-06 | Release date: | 2011-07-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Co-Crystal Structure of the HNF-3/Fork Head DNA-Recognition Motif Resembles Histone H5 Nature, 364, 1993
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4PP7
| Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | Descriptor: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | Deposit date: | 2014-02-26 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 24, 2014
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7NCX
| Crystal structure of GH30 (double mutant EE) from Thermothelomyces thermophila. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dimarogona, M, Nikolaivits, E, Topakas, E, Weiss, M, Feiler, C.G. | Deposit date: | 2021-01-29 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies Carbohydrate Polymers, 273, 2021
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7O0E
| Crystal structure of GH30 (mutant E188A) complexed with aldotriuronic acid from Thermothelomyces thermophila. | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dimarogona, M, Kosinas, C, Feiler, C, Weiss, M.S, Topakas, E, Nikolaivits, E. | Deposit date: | 2021-03-26 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies Carbohydrate Polymers, 273, 2021
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6Z1S
| Structure of Polyphenol Oxidase (mutant G292N) from Thermothelomyces thermophila | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dimarogona, M, Nikolaivits, E, Valmas, A, Topakas, E. | Deposit date: | 2020-05-14 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Considerations Regarding Activity Determinants of Fungal Polyphenol Oxidases Based on Mutational and Structural Studies. Appl.Environ.Microbiol., 87, 2021
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8BHH
| The crystal structure of a feruloyl esterase C from Fusarium oxysporum in complex with p-coumaric acid | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-HYDROXYCINNAMIC ACID, ... | Authors: | Dimarogona, M, Topakas, E, Kosinas, C, Ferousi, C, Nikolaivits, E. | Deposit date: | 2022-10-31 | Release date: | 2023-07-05 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of the Fusarium oxysporum tannase-like feruloyl esterase FaeC in complex with p-coumaric acid provides insight into ligand binding. Febs Lett., 597, 2023
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1NPZ
| Crystal structures of Cathepsin S inhibitor complexes | Descriptor: | Cathepsin S, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide | Authors: | Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Seddon, A.P, Menard, R, Cygler, M, Rath, V.L. | Deposit date: | 2003-01-20 | Release date: | 2003-04-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specificity determinants of human cathepsin s revealed
by crystal structures of complexes. Biochemistry, 42, 2003
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5AJH
| Crystal structure of Fusarium oxysporum cutinase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CUTINASE | Authors: | Dimarogona, M, Nikolaivits, E, Kanelli, M, Christakopoulos, P, Sandgren, M, Topakas, E. | Deposit date: | 2015-02-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Studies of a Fusarium Oxysporum Cutinase with Polyethylene Terephthalate Modification Potential. Biochim.Biophys.Acta, 1850, 2015
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1NQC
| Crystal structures of Cathepsin S inhibitor complexes | Descriptor: | Cathepsin S, N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | Authors: | Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Menard, R, Cygler, M, Rath, V.L. | Deposit date: | 2003-01-21 | Release date: | 2003-04-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Specificity determinants of human cathepsin s revealed
by crystal structures of complexes. Biochemistry, 42, 2003
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1CSZ
| SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN G RECEPTOR, NMR | Descriptor: | ACETYL-THR-PTR-GLU-THR-LEU-NH2, SYK PROTEIN TYROSINE KINASE | Authors: | Narula, S.S, Yuan, R.W, Adams, S.E, Green, O.M, Green, J, Phillips, T.B, Zydowsky, L.D, Botfield, M.C, Hatada, M.H, Laird, E.R, Zoller, M.J, Karas, J.L, Dalgarno, D.C. | Deposit date: | 1995-10-03 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Solution structure of the C-terminal SH2 domain of the human tyrosine kinase Syk complexed with a phosphotyrosine pentapeptide. Structure, 3, 1995
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1CSY
| SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN G RECEPTOR, NMR | Descriptor: | ACETYL-THR-PTR-GLU-THR-LEU-NH2, SYK PROTEIN TYROSINE KINASE | Authors: | Narula, S.S, Yuan, R.W, Adams, S.E, Green, O.M, Green, J, Phillips, T.B, Zydowsky, L.D, Botfield, M.C, Hatada, M.H, Laird, E.R, Zoller, M.J, Karas, J.L, Dalgarno, D.C. | Deposit date: | 1995-10-03 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Solution structure of the C-terminal SH2 domain of the human tyrosine kinase Syk complexed with a phosphotyrosine pentapeptide. Structure, 3, 1995
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4BDV
| CRYSTAL STRUCTURE OF A TRUNCATED B-DOMAIN HUMAN FACTOR VIII | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Svensson, L.A, Thim, L, Olsen, O.H, Nicolaisen, E.M. | Deposit date: | 2012-10-08 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.98 Å) | Cite: | Evaluation of the Metal Binding Sites in a Recombinant Coagulation Factor Viii Identifies Two Sites with Unique Metal Binding Properties. Biol.Chem., 394, 2013
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2OQ1
| Tandem SH2 domains of ZAP-70 with 19-mer zeta1 peptide | Descriptor: | LEAD (II) ION, T-cell surface glycoprotein CD3 zeta chain, Tyrosine-protein kinase ZAP-70 | Authors: | Hatada, M.H, Laird, E.R, Green, J, Morgenstern, J, Ram, M.K. | Deposit date: | 2007-01-30 | Release date: | 2007-03-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for the interaction of ZAP-70 with the T-cell receptor Nature, 377, 1995
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3ZG3
| STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(trifluoromethyl)(pyridin-2-yl)) piperidin-4yl)-N-(4-(trifluoromethyl)phenyl)pyridin-3-amine (EPL- BS967, UDD) | Descriptor: | N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | Deposit date: | 2012-12-14 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity J.Biol.Chem., 288, 2013
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3ZG2
| Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO) | Descriptor: | (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | Deposit date: | 2012-12-14 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity J.Biol.Chem., 288, 2013
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