2ABJ
| Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, C16H10N2O4F3SCl, and pyridoxal 5' phosphate. | Descriptor: | Branched-chain-amino-acid aminotransferase, cytosolic, N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE, ... | Authors: | Ohren, J.F, Moreland, D.W, Rubin, J.R, Hu, H.L, McConnell, P.C, Mistry, A, Mueller, W.T, Scholten, J.D, Hasemann, C.H. | Deposit date: | 2005-07-15 | Release date: | 2006-06-27 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases. Bioorg.Med.Chem.Lett., 16, 2006
|
|
4E3R
| PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis | Descriptor: | Pyruvate transaminase, SODIUM ION, SULFATE ION | Authors: | Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. | Deposit date: | 2012-03-10 | Release date: | 2012-10-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin. Protein Eng.Des.Sel., 26, 2013
|
|
4E3Q
| PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ... | Authors: | Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. | Deposit date: | 2012-03-10 | Release date: | 2012-10-10 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin. Protein Eng.Des.Sel., 26, 2013
|
|
1D7O
| CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN | Descriptor: | ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Roujeinikova, A, Levy, C, Rowsell, S, Sedelnikova, S, Baker, P.J, Minshull, C.A, Mistry, A, Colls, J.G, Camble, R, Stuitje, A.R, Slabas, A.R, Rafferty, J.B, Pauptit, R.A, Viner, R, Rice, D.W. | Deposit date: | 1999-10-19 | Release date: | 1999-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic analysis of triclosan bound to enoyl reductase. J.Mol.Biol., 294, 1999
|
|
3H3C
| Crystal structure of PYK2 in complex with Sulfoximine-substituted trifluoromethylpyrimidine analog | Descriptor: | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Protein tyrosine kinase 2 beta, SULFATE ION | Authors: | Han, S, Mistry, A. | Deposit date: | 2009-04-16 | Release date: | 2009-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3HZS
| S. aureus monofunctional glycosyltransferase (MtgA)in complex with moenomycin | Descriptor: | MOENOMYCIN, Monofunctional glycosyltransferase, PHOSPHATE ION | Authors: | Heaslet, H, Miller, A.A, Shaw, B, Mistry, A. | Deposit date: | 2009-06-24 | Release date: | 2009-07-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of the active site of S. aureus monofunctional glycosyltransferase (Mtg) by site-directed mutation and structural analysis of the protein complexed with moenomycin J.Struct.Biol., 167, 2009
|
|
3ET7
| Crystal structure of PYK2 complexed with PF-2318841 | Descriptor: | 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one, PHOSPHATE ION, Protein tyrosine kinase 2 beta | Authors: | Han, S. | Deposit date: | 2008-10-07 | Release date: | 2009-06-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): structure-activity relationships and strategies for the elimination of reactive metabolite formation. Bioorg.Med.Chem.Lett., 18, 2008
|
|
4EWS
| |
3O1G
| |
3O0U
| |
1UAE
| STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE | Descriptor: | UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid | Authors: | Skarzynski, T. | Deposit date: | 1996-09-30 | Release date: | 1997-09-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of UDP-N-acetylglucosamine enolpyruvyl transferase, an enzyme essential for the synthesis of bacterial peptidoglycan, complexed with substrate UDP-N-acetylglucosamine and the drug fosfomycin. Structure, 4, 1996
|
|
2OBD
| Crystal Structure of Cholesteryl Ester Transfer Protein | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Qiu, X. | Deposit date: | 2006-12-18 | Release date: | 2007-01-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of cholesteryl ester transfer protein reveals a long tunnel and four bound lipid molecules. Nat.Struct.Mol.Biol., 14, 2007
|
|
6FTB
| Staphylococcus aureus monofunctional glycosyltransferase in complex with moenomycin | Descriptor: | (2R)-2,3-dihydroxypropyl dodecanoate, 1,2-ETHANEDIOL, MOENOMYCIN, ... | Authors: | Punekar, A.S, Dowson, C.J, Roper, D.I. | Deposit date: | 2018-02-20 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The role of the jaw subdomain of peptidoglycan glycosyltransferases for lipid II polymerization. Cell Surf, 2, 2018
|
|
3KX1
| |
1NMT
| |
3KWB
| Structure of CatK covalently bound to a dioxo-triazine inhibitor | Descriptor: | 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, Cathepsin K | Authors: | Uitdehaag, J.C.M, van Zeeland, M. | Deposit date: | 2009-12-01 | Release date: | 2010-04-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Dioxo-triazines as a novel series of cathepsin K inhibitors Bioorg.Med.Chem.Lett., 20, 2010
|
|
3KW9
| |
3KWZ
| |
1QG6
| |
4F2A
| Crystal structure of cholestryl esters transfer protein in complex with inhibitors | Descriptor: | (2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHLORIDE ION, ... | Authors: | Liu, S, Qiu, X. | Deposit date: | 2012-05-07 | Release date: | 2012-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Crystal structures of cholesteryl ester transfer protein in complex with inhibitors. J.Biol.Chem., 287, 2012
|
|
1D8A
| E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Levy, C.W, Roujeinikova, A, Sedelnikova, S, Baker, P.J, Stuitje, A.R, Slabas, A.R, Rice, D.W, Rafferty, J.B. | Deposit date: | 1999-10-21 | Release date: | 1999-10-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of triclosan activity. Nature, 398, 1999
|
|
3FZO
| Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase | Descriptor: | Protein tyrosine kinase 2 beta | Authors: | Han, S. | Deposit date: | 2009-01-26 | Release date: | 2009-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
|
|
3FZR
| Crystal structure of PYK2 complexed with PF-431396 | Descriptor: | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta | Authors: | Han, S. | Deposit date: | 2009-01-26 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
|
|
3FZS
| Crystal Structure of PYK2 complexed with BIRB796 | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta | Authors: | Han, S. | Deposit date: | 2009-01-26 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
|
|
3FZP
| Crystal structure of PYK2 complexed with ATPgS | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION | Authors: | Han, S. | Deposit date: | 2009-01-26 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
|
|