2E1Z
 
 | | Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with diadenosine tetraphosphate (Ap4A) obtained after co-crystallization with ATP | | Descriptor: | 1,2-ETHANEDIOL, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Propionate Kinase | | Authors: | Simanshu, D.K, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2006-11-04 | | Release date: | 2007-09-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structures of Salmonella typhimurium propionate kinase and its complex with Ap4A: evidence for a novel Ap4A synthetic activity.
Proteins, 70, 2008
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3S1Y
 | | AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with a beta-lactamase inhibitor | | Descriptor: | Beta-lactamase, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | | Authors: | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
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4KH8
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1BRS
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2L6T
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | Descriptor: | VIR-576 | | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E. | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
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2RP5
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4KQL
 | | Hin GlmU bound to WG578 | | Descriptor: | Bifunctional protein GlmU, MAGNESIUM ION, N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide, ... | | Authors: | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | | Deposit date: | 2013-05-15 | | Release date: | 2014-10-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
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2E2P
 | | Crystal structure of Sulfolobus tokodaii hexokinase in complex with ADP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE, ... | | Authors: | Nishimasu, H, Fushinobu, S, Shoun, H, Wakagi, T. | | Deposit date: | 2006-11-15 | | Release date: | 2007-01-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of an ATP-dependent hexokinase with broad substrate specificity from the hyperthermophilic archaeon Sulfolobus tokodaii.
J.Biol.Chem., 282, 2007
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2RCH
 | | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD at 1.85 A Resolution | | Descriptor: | (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, Cytochrome P450 74A, GLYCEROL, ... | | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | | Deposit date: | 2007-09-20 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes.
Nature, 455, 2008
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2RDE
 | | Crystal structure of VCA0042 complexed with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Uncharacterized protein VCA0042 | | Authors: | Benach, J, Swaminathan, S.S, Tamayo, R, Seetharaman, J, Handelman, S, Forouhar, F, Neely, H, Camilli, A, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-22 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The structural basis of cyclic diguanylate signal transduction by PilZ domains.
Embo J., 26, 2007
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2R5S
 | | The crystal structure of a domain of protein VP0806 (unknown function) from Vibrio parahaemolyticus RIMD 2210633 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Tan, K, Wu, R, Abdullah, J, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-09-04 | | Release date: | 2007-09-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The crystal structure of a domain of protein VP0806 (unknown function) from Vibrio parahaemolyticus RIMD 2210633.
To be Published
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2E6Y
 | | Covalent complex of orotidine 5'-monophosphate decarboxylase (ODCase) with 6-Iodo-UMP | | Descriptor: | GLYCEROL, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Fujihashi, M, Bello, A.M, Kotra, L.P, Pai, E.F. | | Deposit date: | 2007-01-05 | | Release date: | 2007-02-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Potent, Covalent Inhibitor of Orotidine 5'-Monophosphate Decarboxylase with Antimalarial Activity.
J.Med.Chem., 50, 2007
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2MHE
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1XRC
 | | CRYSTAL STRUCTURE OF S-ADENOSYLMETHIONINE SYNTHETASE | | Descriptor: | COBALT (II) ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Takusagawa, F, Kamitori, S, Misaki, S, Markham, G.D. | | Deposit date: | 1995-10-26 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of S-adenosylmethionine synthetase.
J.Biol.Chem., 271, 1996
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2M7O
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2H23
 | | Structure of Rubisco LSMT bound to Trimethyllysine and AdoHcy | | Descriptor: | N-TRIMETHYLLYSINE, Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Couture, J.F, Hauk, G, Trievel, R.C. | | Deposit date: | 2006-05-17 | | Release date: | 2006-05-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Catalytic Roles for Carbon-Oxygen Hydrogen Bonding in SET Domain Lysine Methyltransferases.
J.Biol.Chem., 281, 2006
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3SHE
 | | Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series | | Descriptor: | MAP kinase-activated protein kinase 3, N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide | | Authors: | Oubrie, A, Kazemier, B. | | Deposit date: | 2011-06-16 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series.
Bioorg.Med.Chem.Lett., 22, 2012
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2RFW
 | | Crystal Structure of Cellobiohydrolase from Melanocarpus albomyces | | Descriptor: | Cellulose 1,4-beta-cellobiosidase | | Authors: | Parkkinen, T, Koivula, A, Vehmaanper, J, Rouvinen, J. | | Deposit date: | 2007-10-02 | | Release date: | 2008-09-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of Melanocarpus albomyces cellobiohydrolase Cel7B in complex with cello-oligomers show high flexibility in the substrate binding
Protein Sci., 17, 2008
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1Y9T
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2RGL
 | | Rice BGlu1 beta-glucosidase, a plant exoglucanase/beta-glucosidase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase, GLYCEROL, ... | | Authors: | Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J. | | Deposit date: | 2007-10-04 | | Release date: | 2008-02-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights into Rice BGlu1 beta-Glucosidase Oligosaccharide Hydrolysis and Transglycosylation
J.Mol.Biol., 377, 2008
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1CXQ
 | | ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN FROM AMMONIUM SULFATE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE, GLYCEROL | | Authors: | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. | | Deposit date: | 1999-08-30 | | Release date: | 1999-09-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant.
Biochemistry, 38, 1999
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2RKN
 | | X-ray structure of the self-defense and signaling protein DIR1 from Arabidopsis taliana | | Descriptor: | (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE, DIR1 protein, ZINC ION | | Authors: | Lascombe, M.B, Prange, T, Buhot, N, Marion, D, Bakan, B, Lamb, C. | | Deposit date: | 2007-10-17 | | Release date: | 2008-09-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of "defective in induced resistance" protein of Arabidopsis thaliana, DIR1, reveals a new type of lipid transfer protein.
Protein Sci., 17, 2008
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2RGP
 | | Structure of EGFR in complex with hydrazone, a potent dual inhibitor | | Descriptor: | Epidermal growth factor receptor, N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine, PHOSPHATE ION | | Authors: | Abad, M.C. | | Deposit date: | 2007-10-04 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 4-Amino-6-arylamino-pyrimidine-5-carbaldehyde hydrazones as potent ErbB-2/EGFR dual kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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2RQ4
 | | Refinement of RNA binding domain 3 in CUG triplet repeat RNA-binding protein 1 | | Descriptor: | CUG-BP- and ETR-3-like factor 1 | | Authors: | Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Terada, T, Kobayashi, N, Shirouzu, M, Kigawa, T, Guntert, P, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-01-19 | | Release date: | 2009-08-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the sequence-specific RNA-recognition mechanism of human CUG-BP1 RRM3
Nucleic Acids Res., 2009
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1D5J
 | | CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR. | | Descriptor: | CALCIUM ION, N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-3(S)-CARBOXAMIDE, STROMELYSIN-1, ... | | Authors: | Almstead, N.G, Bradley, R.S, Pikul, S, De, B, Natchus, M.G. | | Deposit date: | 1999-10-07 | | Release date: | 2000-10-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors.
J.Med.Chem., 42, 1999
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