2F6F
 
 | | The structure of the S295F mutant of human PTP1B | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein phosphatase, ... | | Authors: | Montalibet, J, Skorey, K, McKay, D, Scapin, G, Asante-Appiah, E, Kennedy, B.P. | | Deposit date: | 2005-11-29 | | Release date: | 2005-12-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Residues distant from the active site influence protein-tyrosine phosphatase 1B inhibitor binding.
J.Biol.Chem., 281, 2006
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2I0H
 | | The structure of p38alpha in complex with an arylpyridazinone | | Descriptor: | 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, Mitogen-activated protein kinase 14 | | Authors: | Natarajan, S.R, Heller, S.T, Nam, K, Singh, S.B, Scapin, G, Patel, S, Thompson, J.E, Fitzgerald, C.E, O'Keefe, S.J. | | Deposit date: | 2006-08-10 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design.
Bioorg.Med.Chem.Lett., 16, 2006
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1M7Q
 | | Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | | Descriptor: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION | | Authors: | Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. | | Deposit date: | 2002-07-22 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 13, 2003
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1MAS
 | | PURINE NUCLEOSIDE HYDROLASE | | Descriptor: | INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE, POTASSIUM ION | | Authors: | Degano, M, Gopaul, D.N, Scapin, G, Schramm, V.L, Sacchettini, J.C. | | Deposit date: | 1995-12-18 | | Release date: | 1996-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional structure of the inosine-uridine nucleoside N-ribohydrolase from Crithidia fasciculata.
Biochemistry, 35, 1996
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1OUK
 | | The structure of p38 alpha in complex with a pyridinylimidazole inhibitor | | Descriptor: | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION | | Authors: | Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G. | | Deposit date: | 2003-03-24 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
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1OUY
 | | The structure of p38 alpha in complex with a dihydropyrido-pyrimidine inhibitor | | Descriptor: | 1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE, Mitogen-activated protein kinase 14 | | Authors: | Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G. | | Deposit date: | 2003-03-25 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
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1PA1
 | | Crystal structure of the C215D mutant of protein tyrosine phosphatase 1B | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | | Authors: | Romsicki, Y, Scapin, G, Beaulieu-Audy, V, Patel, S.B, Becker, J.W, Kennedy, B, Asante-Appiah, E. | | Deposit date: | 2003-05-13 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Functional characterization and crystal structure of the C215D mutant of protein-tyrosine phosphatase-1B
J.Biol.Chem., 278, 2003
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1P9L
 | | Structure of M. tuberculosis dihydrodipicolinate reductase in complex with NADH and 2,6 PDC | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PYRIDINE-2,6-DICARBOXYLIC ACID, TETRAETHYLENE GLYCOL, ... | | Authors: | Cirilli, M, Zheng, R, Scapin, G, Blanchard, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-05-12 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The three-dimensional structures of the Mycobacterium tuberculosis dihydrodipicolinate reductase-NADH-2,6-PDC and -NADPH-2,6-PDC complexes. Structural and mutagenic analysis of relaxed nucleotide specificity.
Biochemistry, 42, 2003
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1R39
 | | THE STRUCTURE OF P38ALPHA | | Descriptor: | Mitogen-activated protein kinase 14, SULFATE ION | | Authors: | Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G. | | Deposit date: | 2003-10-01 | | Release date: | 2004-01-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering.
Biochim.Biophys.Acta, 1696, 2004
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1R3C
 | | THE STRUCTURE OF P38ALPHA C162S MUTANT | | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 14 | | Authors: | Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G. | | Deposit date: | 2003-10-01 | | Release date: | 2004-01-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering.
Biochim.Biophys.Acta, 1696, 2004
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8GK7
 | | MsbA bound to cerastecin C | | Descriptor: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Chen, Y, Klein, D. | | Deposit date: | 2023-03-17 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii
Nat Microbiol, 2024
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1YQY
 | | Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor | | Descriptor: | (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE, Lethal factor, ZINC ION | | Authors: | Shoop, W.L, Xiong, Y, Wiltsie, J, Woods, A, Guo, J, Pivnichny, J.V, Felcetto, T, Michael, B.F, Bansal, A. | | Deposit date: | 2005-02-02 | | Release date: | 2005-05-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Anthrax lethal factor inhibition.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1TW4
 | | Crystal Structure of Chicken Liver Basic Fatty Acid Binding Protein (Bile Acid Binding Protein) Complexed With Cholic Acid | | Descriptor: | CHOLIC ACID, Fatty acid-binding protein | | Authors: | Nichesola, D, Perduca, M, Capaldi, S, Carrizo, M.E, Righetti, P.G, Monaco, H.L. | | Deposit date: | 2004-06-30 | | Release date: | 2004-11-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of chicken liver basic Fatty Acid-binding protein complexed with cholic acid
Biochemistry, 43, 2004
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1TVQ
 | | Crystal Structure of Apo Chicken Liver Basic Fatty Acid Binding Protein (or Bile Acid Binding Protein) | | Descriptor: | Fatty acid-binding protein | | Authors: | Nichesola, D, Perduca, M, Capaldi, S, Carrizo, M.E, Righetti, P.G, Monaco, H.L. | | Deposit date: | 2004-06-30 | | Release date: | 2004-11-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of chicken liver basic Fatty Acid-binding protein complexed with cholic acid
Biochemistry, 43, 2004
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1BWY
 | | NMR STUDY OF BOVINE HEART FATTY ACID BINDING PROTEIN | | Descriptor: | PROTEIN (HEART FATTY ACID BINDING PROTEIN) | | Authors: | Lassen, D, Luecke, C, Kveder, M, Mesgarzadeh, A, Schmidt, J.M, Specht, B, Lezius, A, Spener, F, Rueterjans, H. | | Deposit date: | 1998-09-29 | | Release date: | 1998-10-07 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of bovine heart fatty-acid-binding protein with bound palmitic acid, determined by multidimensional NMR spectroscopy.
Eur.J.Biochem., 230, 1995
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1X70
 | | HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR | | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kim, D, Wang, L, Beconi, M, Eiermann, G.J, Fisher, M.H, He, H, Hickey, G.J, Leiting, B, Lyons, K. | | Deposit date: | 2004-08-12 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
J.Med.Chem., 48, 2005
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1G5W
 | | SOLUTION STRUCTURE OF HUMAN HEART-TYPE FATTY ACID BINDING PROTEIN | | Descriptor: | FATTY ACID-BINDING PROTEIN | | Authors: | Luecke, C, Rademacher, M, Zimmerman, A, van Moerkerk, H.T.B, Veerkamp, J.H, Rueterjans, H. | | Deposit date: | 2000-11-02 | | Release date: | 2001-03-07 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Spin-system heterogeneities indicate a selected-fit mechanism in fatty acid binding to heart-type fatty acid-binding protein (H-FABP).
Biochem.J., 354, 2001
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1AEL
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1FDQ
 | | CRYSTAL STRUCTURE OF HUMAN BRAIN FATTY ACID BINDING PROTEIN | | Descriptor: | DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, FATTY ACID-BINDING PROTEIN, BRAIN | | Authors: | Balendiran, G.K. | | Deposit date: | 2000-07-20 | | Release date: | 2001-07-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure and thermodynamic analysis of human brain fatty acid-binding protein.
J.Biol.Chem., 275, 2000
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1FE3
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3IFB
 | | NMR STUDY OF HUMAN INTESTINAL FATTY ACID BINDING PROTEIN | | Descriptor: | INTESTINAL FATTY ACID BINDING PROTEIN | | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | | Deposit date: | 1998-10-16 | | Release date: | 1998-10-21 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human intestinal fatty acid binding protein: implications for ligand entry and exit.
J.Biomol.NMR, 9, 1997
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1LH0
 | | Crystal Structure of Salmonella typhimurium OMP Synthase in Complex with MGPRPP and Orotate | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, OMP synthase, ... | | Authors: | Fedorov, A.A, Panneerselvam, K, Shi, W, Grubmeyer, C, Almo, S.C. | | Deposit date: | 2002-04-16 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Salmonella typhimurium OMP Synthase in a Complete Substrate Complex.
Biochemistry, 51, 2012
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2MAS
 | | PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR | | Descriptor: | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL, CALCIUM ION, INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE | | Authors: | Degano, M, Schramm, V.L, Sacchettini, J.C. | | Deposit date: | 1996-10-17 | | Release date: | 1997-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor.
Biochemistry, 37, 1998
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1OMP
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1BZY
 | | HUMAN HGPRTASE WITH TRANSITION STATE INHIBITOR | | Descriptor: | HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER, ... | | Authors: | Shi, W, Li, C, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C. | | Deposit date: | 1998-11-05 | | Release date: | 1999-06-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2.0 A structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with a transition-state analog inhibitor.
Nat.Struct.Biol., 6, 1999
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