2W7X
 
 | | Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ... | | Authors: | Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y. | | Deposit date: | 2009-01-06 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019.
J.Pharmacol.Exp.Ther., 331, 2009
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4Z3P
 | | MATE transporter ClbM in complex with Rb+ | | Descriptor: | CACODYLATE ION, Putative drug/sodium antiporter, RUBIDIUM ION | | Authors: | Mousa, J.J, Bruner, S.D. | | Deposit date: | 2015-03-31 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | MATE transport of the E. coli-derived genotoxin colibactin.
Nat Microbiol, 1, 2016
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4DKQ
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with DMJ-I-228 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.888 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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1RYQ
 | | Putative DNA-directed RNA polymerase, subunit e'' from Pyrococcus Furiosus Pfu-263306-001 | | Descriptor: | DNA-directed RNA polymerase, subunit e'', ZINC ION | | Authors: | Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Arendall III, W.B, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2003-12-22 | | Release date: | 2004-08-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Parameter-space screening: a powerful tool for high-throughput crystal structure determination.
Acta Crystallogr.,Sect.D, 61, 2005
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1CRZ
 | | CRYSTAL STRUCTURE OF THE E. COLI TOLB PROTEIN | | Descriptor: | TOLB PROTEIN | | Authors: | Abergel, C, Bouveret, E, Claverie, J.-M, Brown, K, Rigal, A, Lazdunski, C, Benedetti, H. | | Deposit date: | 1999-08-16 | | Release date: | 2000-08-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the Escherichia coli TolB protein determined by MAD methods at 1.95 A resolution.
Structure Fold.Des., 7, 1999
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2BTD
 | | Crystal structure of DhaL from E. coli | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PTS-DEPENDENT DIHYDROXYACETONE KINASE | | Authors: | Oberholzer, A.E, Schneider, P, Bachler, C, Baumann, U, Erni, B. | | Deposit date: | 2005-05-27 | | Release date: | 2006-06-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Nucleotide-Binding Subunit Dhal of the Escherichia Coli Dihydroxyacetone Kinase.
J.Mol.Biol., 359, 2006
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3E1Q
 | | Crystal structure of W133F variant E. coli Bacterioferritn with iron. | | Descriptor: | BACTERIOFERRITIN, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Crow, A, Lawson, T.L, Lewin, A, Moore, G.R, Le Brun, N.E. | | Deposit date: | 2008-08-04 | | Release date: | 2009-08-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Monitoring the iron status of the ferroxidase center of Escherichia coli bacterioferritin using fluorescence spectroscopy.
Biochemistry, 48, 2009
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5VWR
 | | E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)-alpha-ketoglutarate | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, Aspartate aminotransferase, GLYCEROL | | Authors: | Mascarenhas, R, Liu, D, Le, H, Silverman, R. | | Deposit date: | 2017-05-22 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
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4GT0
 | | Structure of dengue virus serotype 1 sE containing stem to residue 421 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Klein, D.E, Choi, J.L, Harrison, S.C. | | Deposit date: | 2012-08-28 | | Release date: | 2012-12-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structure of a dengue virus envelope protein late-stage fusion intermediate.
J.Virol., 87, 2013
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3BFA
 | | Crystal structure of a pheromone binding protein from Apis mellifera in complex with the Queen mandibular pheromone | | Descriptor: | (2Z)-9-oxodec-2-enoic acid, GLYCEROL, Pheromone-binding protein ASP1 | | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2007-11-21 | | Release date: | 2008-06-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
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1GNK
 | | GLNK, A SIGNAL PROTEIN FROM E. COLI | | Descriptor: | PROTEIN (GLNK), SULFATE ION | | Authors: | Xu, Y, Cheah, E, Carr, P.D, Vanheeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L. | | Deposit date: | 1998-07-14 | | Release date: | 1999-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition.
J.Mol.Biol., 282, 1998
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1RM0
 | | Crystal Structure of Myo-Inositol 1-Phosphate Synthase From Saccharomyces cerevisiae In Complex With NAD+ and 2-deoxy-D-glucitol 6-(E)-vinylhomophosphonate | | Descriptor: | (3,4,5,7-TETRAHYDROXY-HEPT-1-ENYL)-PHOSPHONIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MANGANESE (II) ION, ... | | Authors: | Jin, X, Foley, K.M, Geiger, J.H. | | Deposit date: | 2003-11-26 | | Release date: | 2004-05-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The structure of the 1L-myo-inositol-1-phosphate synthase-NAD+-2-deoxy-D-glucitol 6-(E)-vinylhomophosphonate complex demands a revision of the enzyme mechanism.
J.Biol.Chem., 279, 2004
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3BRQ
 | | Crystal structure of the Escherichia coli transcriptional repressor ascG | | Descriptor: | HTH-type transcriptional regulator ascG, SODIUM ION, SULFATE ION, ... | | Authors: | Singer, A.U, Kagan, O, Evdokimova, E, Osipiuk, J, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-12-21 | | Release date: | 2008-01-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the E. coli transcriptional repressor ascG.
To be Published
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4RZB
 | | The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-formimino-L-Aspartate, SOAKED WITH MERCURY | | Descriptor: | GLYCEROL, MERCURY (II) ION, N-[(E)-iminomethyl]-L-aspartic acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Marti-Arbona, R, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-12-19 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.863 Å) | | Cite: | Structure of N-Formimino-l-glutamate Iminohydrolase from Pseudomonas aeruginosa.
Biochemistry, 54, 2015
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1TOJ
 | | Hydrocinnamic acid-bound structure of SRHEPT mutant of E. coli aspartate aminotransferase | | Descriptor: | Aspartate aminotransferase, HYDROCINNAMIC ACID | | Authors: | Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F. | | Deposit date: | 2004-06-14 | | Release date: | 2004-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
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1UWF
 | | 1.7 A resolution structure of the receptor binding domain of the FimH adhesin from uropathogenic E. coli | | Descriptor: | FIMH PROTEIN, GLYCEROL, butyl alpha-D-mannopyranoside | | Authors: | Bouckaert, J, Berglund, J, Genst, E.D, Cools, L, Hung, C.-S, Wuhrer, M, Zavialov, A, Langermann, S, Hultgren, S, Wyns, L, Oscarson, S, Knight, S.D, De Greve, H. | | Deposit date: | 2004-02-05 | | Release date: | 2005-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Receptor Binding Studies Disclose a Novel Class of High-Affinity Inhibitors of the Escherichia Coli Fimh Adhesin.
Mol.Microbiol., 55, 2005
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3BPB
 | | Crystal structure of the dimethylarginine dimethylaminohydrolase H162G adduct with S-methyl-L-thiocitrulline | | Descriptor: | N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine, dimethylarginine dimethylaminohydrolase | | Authors: | Monzingo, A.F, Linsky, T.W, Stone, E.M, Fast, W, Robertus, J.D. | | Deposit date: | 2007-12-18 | | Release date: | 2008-06-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Promiscuous partitioning of a covalent intermediate common in the pentein superfamily.
Chem.Biol., 15, 2008
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4EFA
 | | Crystal Structure of the Heterotrimeric EGChead Peripheral Stalk Complex of the Yeast Vacuolar ATPase - second conformation | | Descriptor: | SULFATE ION, V-type proton ATPase subunit C, V-type proton ATPase subunit E, ... | | Authors: | Oot, R.A, Huang, L.S, Berry, E.A, Wilkens, S. | | Deposit date: | 2012-03-29 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8163 Å) | | Cite: | Crystal Structure of the Yeast Vacuolar ATPase Heterotrimeric EGC(head) Peripheral Stalk Complex.
Structure, 20, 2012
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1FVV
 | | THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR | | Descriptor: | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE, CYCLIN A, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | | Deposit date: | 2000-09-20 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
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3CMD
 | | Crystal structure of peptide deformylase from VRE-E.faecium | | Descriptor: | FE (III) ION, MALONATE ION, Peptide deformylase, ... | | Authors: | Hwang, K.Y, Nam, K.H. | | Deposit date: | 2008-03-21 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insight into the antibacterial drug design and architectural mechanism of peptide recognition from the E. faecium peptide deformylase structure.
Proteins, 74, 2009
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1SU1
 | | Structural and biochemical characterization of Yfce, a phosphoesterase from E. coli | | Descriptor: | Hypothetical protein yfcE, SULFATE ION, ZINC ION | | Authors: | Miller, D.J, Shuvalova, L, Evdokimova, E, Savchenko, A, Yakunin, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-03-25 | | Release date: | 2004-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and biochemical characterization of a novel Mn2+-dependent phosphodiesterase encoded by the yfcE gene.
Protein Sci., 16, 2007
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1QZY
 | | Human Methionine Aminopeptidase in complex with bengamide inhibitor LAF153 and cobalt | | Descriptor: | (E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE, COBALT (II) ION, Methionine aminopeptidase 2, ... | | Authors: | Eck, M.J, Song, H.K, Morollo, A. | | Deposit date: | 2003-09-18 | | Release date: | 2003-11-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Proteomics-based target identification: bengamides as a new class of methionine aminopeptidase inhibitors.
J.Biol.Chem., 278, 2003
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4LRG
 | | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | | Authors: | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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1S1M
 | | Crystal Structure of E. Coli CTP Synthetase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CTP synthase, IODIDE ION, ... | | Authors: | Endrizzi, J.A, Kim, H, Anderson, P.M, Baldwin, E.P. | | Deposit date: | 2004-01-06 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Escherichia coli Cytidine Triphosphate Synthetase, a Nucleotide-Regulated Glutamine Amidotransferase/ATP-Dependent Amidoligase Fusion Protein and Homologue of Anticancer and Antiparasitic Drug Targets
Biochemistry, 43, 2004
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4IFY
 | | HIV-1 reverse transcriptase with bound fragment at the Knuckles site | | Descriptor: | 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Bauman, J.D, Patel, D, Arnold, E. | | Deposit date: | 2012-12-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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