7LF1
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![BU of 7lf1 by Molmil](/molmil-images/mine/7lf1) | Trimeric human Arginase 1 in complex with mAb3 | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb3 heavy chain, ... | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | Deposit date: | 2021-01-15 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021
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1B9H
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![BU of 1b9h by Molmil](/molmil-images/mine/1b9h) | CRYSTAL STRUCTURE OF 3-AMINO-5-HYDROXYBENZOIC ACID (AHBA) SYNTHASE | Descriptor: | PROTEIN (3-AMINO-5-HYDROXYBENZOIC ACID SYNTHASE), PYRIDOXAL-5'-PHOSPHATE | Authors: | Eads, J.C, Beeby, M, Scapin, G, Yu, T.-W, Floss, H.G. | Deposit date: | 1999-02-11 | Release date: | 1999-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of 3-amino-5-hydroxybenzoic acid (AHBA) synthase. Biochemistry, 38, 1999
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1BWZ
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![BU of 1bwz by Molmil](/molmil-images/mine/1bwz) | |
1C3V
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![BU of 1c3v by Molmil](/molmil-images/mine/1c3v) | DIHYDRODIPICOLINATE REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND PDC | Descriptor: | DIHYDRODIPICOLINATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PYRIDINE-2,6-DICARBOXYLIC ACID, ... | Authors: | Cirilli, M, Zheng, R, Scapin, G, Blanchard, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 1999-07-28 | Release date: | 2003-08-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.39 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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1B9I
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![BU of 1b9i by Molmil](/molmil-images/mine/1b9i) | CRYSTAL STRUCTURE OF 3-AMINO-5-HYDROXYBENZOIC ACID (AHBA) SYNTHASE | Descriptor: | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, PROTEIN (3-AMINO-5-HYDROXYBENZOIC ACID SYNTHASE) | Authors: | Eads, J.C, Beeby, M, Scapin, G, Yu, T.-W, Floss, H.G. | Deposit date: | 1999-02-11 | Release date: | 1999-08-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of 3-amino-5-hydroxybenzoic acid (AHBA) synthase. Biochemistry, 38, 1999
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1OVE
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![BU of 1ove by Molmil](/molmil-images/mine/1ove) | The structure of p38 alpha in complex with a dihydroquinolinone | Descriptor: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE, GLYCEROL, 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: | 2003-03-26 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity Nat.Struct.Biol., 10, 2003
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2F6F
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![BU of 2f6f by Molmil](/molmil-images/mine/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
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![BU of 2i0h by Molmil](/molmil-images/mine/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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2FJN
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![BU of 2fjn by Molmil](/molmil-images/mine/2fjn) | The structure of phosphotyrosine phosphatase 1B in complex with compound 2 | Descriptor: | (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID, CHLORIDE ION, Tyrosine-protein phosphatase, ... | Authors: | Asante-Appiah, E, Patel, S, Desponts, C, Taylor, J.M, Lau, C, Dufresne, C, Therien, M, Friesen, R, Becker, J.W, Leblanc, Y, Kennedy, B.P, Scapin, G. | Deposit date: | 2006-01-03 | Release date: | 2006-01-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase. J.Biol.Chem., 281, 2006
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1R3C
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![BU of 1r3c by Molmil](/molmil-images/mine/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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1R39
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![BU of 1r39 by Molmil](/molmil-images/mine/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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1F06
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![BU of 1f06 by Molmil](/molmil-images/mine/1f06) | THREE DIMENSIONAL STRUCTURE OF THE TERNARY COMPLEX OF CORYNEBACTERIUM GLUTAMICUM DIAMINOPIMELATE DEHYDROGENASE NADPH-L-2-AMINO-6-METHYLENE-PIMELATE | Descriptor: | L-2-AMINO-6-METHYLENE-PIMELIC ACID, MESO-DIAMINOPIMELATE D-DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cirilli, M, Scapin, G, Sutherland, A, Caplan, J.F, Vederas, J.C, Blanchard, J.S. | Deposit date: | 2000-05-14 | Release date: | 2001-05-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The three-dimensional structure of the ternary complex of Corynebacterium glutamicum diaminopimelate dehydrogenase-NADPH-L-2-amino-6-methylene-pimelate. Protein Sci., 9, 2000
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1OUK
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![BU of 1ouk by Molmil](/molmil-images/mine/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
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![BU of 1ouy by Molmil](/molmil-images/mine/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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1MAS
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![BU of 1mas by Molmil](/molmil-images/mine/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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1P9L
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![BU of 1p9l by Molmil](/molmil-images/mine/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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1PA1
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![BU of 1pa1 by Molmil](/molmil-images/mine/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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8GK7
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![BU of 8gk7 by Molmil](/molmil-images/mine/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 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii. Nat Microbiol, 9, 2024
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1YQY
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![BU of 1yqy by Molmil](/molmil-images/mine/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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1X70
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![BU of 1x70 by Molmil](/molmil-images/mine/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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1TW4
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![BU of 1tw4 by Molmil](/molmil-images/mine/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
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![BU of 1tvq by Molmil](/molmil-images/mine/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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1G5W
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![BU of 1g5w by Molmil](/molmil-images/mine/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: | 2024-05-22 | 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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3IFB
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![BU of 3ifb by Molmil](/molmil-images/mine/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
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![BU of 1lh0 by Molmil](/molmil-images/mine/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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