4PX1
 
 | | CRYSTAL STRUCTURE OF Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE (TARGET EFI-507068) | | Descriptor: | CHLORIDE ION, MALONIC ACID, Maleylacetoacetate isomerase (Glutathione S-transferase) | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-03-21 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of glutathione s-transferase zeta from methylobacterium extorquens (TARGET EFI-507068)
To be Published
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2W1I
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM, JAK2 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
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1SKO
 | | MP1-p14 Complex | | Descriptor: | Late endosomal/lysosomal Mp1 interacting protein, Mitogen-activated protein kinase kinase 1 interacting protein 1 | | Authors: | Lunin, V.V, Munger, C, Wagner, J, Ye, Z, Cygler, M, Sacher, M. | | Deposit date: | 2004-03-05 | | Release date: | 2004-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the MAP kinase scaffold MP1 bound to its partner p14: a complex with a critical role in endosomal MAP kinase signaling
J.Biol.Chem., 279, 2004
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3WOK
 | | Crystal structure of the DAP BII (Space) | | Descriptor: | GLYCEROL, ZINC ION, dipeptidyl aminopeptidase BII | | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | | Deposit date: | 2013-12-29 | | Release date: | 2014-09-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
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4Q8R
 | | Crystal structure of a Phosphate Binding Protein (PBP-1) from Clostridium perfringens | | Descriptor: | PHOSPHATE ION, Phosphate ABC transporter, phosphate-binding protein, ... | | Authors: | Gonzalez, D, Richez, M, Bergonzi, C, Chabriere, E, Elias, M. | | Deposit date: | 2014-04-28 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the phosphate-binding protein (PBP-1) of an ABC-type phosphate transporter from Clostridium perfringens.
Sci Rep, 4, 2014
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1XM6
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Mesopram | | Descriptor: | (5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-01 | | Release date: | 2004-12-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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3G17
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1XOR
 | | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Zardaverine | | Descriptor: | 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-06 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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6G8W
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5WFP
 | | Ligand-bound Ras:SOS:Ras complex | | Descriptor: | 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | | Deposit date: | 2017-07-12 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
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4HL7
 | | Crystal structure of nicotinate phosphoribosyltransferase (target NYSGR-026035) from Vibrio cholerae | | Descriptor: | Nicotinate phosphoribosyltransferase, SULFATE ION | | Authors: | Mulichak, A.M, Sauder, J.M, Keefe, L.J, Burley, S.K, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-10-16 | | Release date: | 2012-11-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of nicotinate phosphoribosyltransferase (target NYSGR-026035) from Vibrio cholerae
To be Published
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2VRM
 | | Structure of human MAO B in complex with phenyethylhydrazine | | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, PHENYLETHANE | | Authors: | Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E. | | Deposit date: | 2008-04-09 | | Release date: | 2008-04-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B
Biochemistry, 47, 2008
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2VY3
 | | Type IV secretion system effector protein BepA | | Descriptor: | CELL FILAMENTATION PROTEIN, CHLORIDE ION, NICKEL (II) ION | | Authors: | Palanivelu, D.V, Schirmer, T. | | Deposit date: | 2008-07-17 | | Release date: | 2009-11-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Fic Domain Catalyzed Adenylylation: Insight Provided by the Structural Analysis of the Type Iv Secretion System Effector Bepa.
Protein Sci., 20, 2011
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6G11
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1XOS
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Sildenafil | | Descriptor: | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-06 | | Release date: | 2004-12-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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6GA2
 | | Bacteriorhodopsin, dark state, cell 2 | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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1S79
 | | Solution structure of the central RRM of human La protein | | Descriptor: | Lupus La protein | | Authors: | Alfano, C, Sanfelice, D, Babon, J, Kelly, G, Jacks, A, Curry, S, Conte, M.R. | | Deposit date: | 2004-01-29 | | Release date: | 2004-04-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of cooperative RNA binding by the La motif and central RRM domain of human La protein.
Nat.Struct.Mol.Biol., 11, 2004
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6GA9
 | | BACTERIORHODOPSIN, 390 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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4HL2
 | | New Delhi Metallo-beta-Lactamase-1 1.05 A structure Complexed with Hydrolyzed Ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase NDM-1, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-10-15 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | New Delhi Metallo-beta-Lactamase-1 1.05 A structure Complexed with Hydrolyzed Ampicillin
To be Published
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4QAU
 | | Crystal structure of F43Y mutant of sperm whale myoglobin | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lin, Y, Tan, X, Li, W. | | Deposit date: | 2014-05-06 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.597 Å) | | Cite: | A Novel Tyrosine-Heme C-O Covalent Linkage in F43Y Myoglobin: A New Post-translational Modification of Heme Proteins
Chembiochem, 16, 2015
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1XQH
 | | Crystal structure of a ternary complex of the methyltransferase SET9 (also known as SET7/9) with a P53 peptide and SAH | | Descriptor: | 9-mer peptide from tumor protein p53, Histone-lysine N-methyltransferase, H3 lysine-4 specific, ... | | Authors: | Chuikov, S, Kurash, J.K, Wilson, J.R, Xiao, B, Justin, N, Ivanov, G.S, McKinney, K, Tempst, P, Prives, C, Gamblin, S.J, Barlev, N.A, Reinberg, D. | | Deposit date: | 2004-10-12 | | Release date: | 2004-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Regulation of p53 activity through lysine methylation
Nature, 432, 2004
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4QBA
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3WW8
 | | Crystal structure of the computationally designed Pizza3 protein | | Descriptor: | GLYCEROL, Pizza3 protein, SULFATE ION | | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. | | Deposit date: | 2014-06-17 | | Release date: | 2014-10-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4QDD
 | | Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with 1,4-30Q-CoA | | Descriptor: | 3-ketosteroid 9alpha-hydroxylase oxygenase, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D. | | Deposit date: | 2014-05-13 | | Release date: | 2014-07-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
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4HKM
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