4DNM
 
 | | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase 2, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-08 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221
to be published
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4DFB
 | | Crystal structure of aminoglycoside phosphotransferase aph(2")-id/aph(2")-iva in complex with kanamycin | | Descriptor: | APH(2")-Id, CHLORIDE ION, KANAMYCIN A | | Authors: | Stogios, P.J, Minasov, G, Osipiuk, J, Evdokimova, E, Egorova, E, Di leo, R, Li, H, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-01-23 | | Release date: | 2012-02-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A small molecule discrimination map of the antibiotic resistance kinome.
Chem.Biol., 18, 2011
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4DQ1
 | | Thymidylate synthase from Staphylococcus aureus. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Osipiuk, J, Holowicki, J, Jedrzejczak, R, Rubin, E, Guinn, K, Ioerger, T, Baker, D, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-02-14 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Thymidylate synthase from Staphylococcus aureus.
To be Published
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4DUE
 | | cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9C6 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4DYU
 | | The crystal structure of DNA starvation/stationary phase protection protein Dps from Yersinia pestis KIM 10 | | Descriptor: | DNA protection during starvation protein, SULFATE ION, ZINC ION | | Authors: | Tan, K, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The crystal structure of DNA starvation/stationary phase protection protein Dps from Yersinia pestis KIM 10
To be Published
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4E16
 | | Precorrin-4 C(11)-methyltransferase from Clostridium difficile | | Descriptor: | precorrin-4 C(11)-methyltransferase | | Authors: | Osipiuk, J, Nocek, B, Makowska-Grzyska, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-05 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Precorrin-4 C(11)-methyltransferase from Clostridium difficile
To be Published
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4DZI
 | | Crystal structure of amidohydrolase map2389c (target EFI-500390) from Mycobacterium avium subsp. paratuberculosis K-10 | | Descriptor: | CADMIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-03-01 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of amidohydrolase map2389c (target EFI-500390) from Mycobacterium avium
To be Published
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4DW6
 | | Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis. | | Descriptor: | AMMONIUM ION, GLYCEROL, HTH-type transcriptional regulator EthR, ... | | Authors: | Flipo, M, Willand, N, Lecat-Guillet, N, Hounsou, C, Desroses, M, Leroux, F, Lens, Z, Villeret, V, Wohlkonig, A, Wintjens, R, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, Baulard, A.R, Deprez, B. | | Deposit date: | 2012-02-24 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.
J.Med.Chem., 55, 2012
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4DTW
 | | cytochrome P450 BM3h-8C8 MRI sensor bound to serotonin | | Descriptor: | Cytochrome P450 BM3 variant 8C8, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4DUA
 | | cytochrome P450 BM3h-9D7 MRI sensor, no ligand | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL, cytochrome P450 BM3 variant 9D7 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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4E0A
 | | Crystal Structure of the mutant F44R BH1408 protein from Bacillus halodurans, Northeast Structural Genomics Consortium (NESG) Target BhR182 | | Descriptor: | ACETIC ACID, BH1408 protein, GLYCEROL, ... | | Authors: | Kuzin, A, Neely, H, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-03-02 | | Release date: | 2012-05-02 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Northeast Structural Genomics Consortium Target BhR182
To be Published
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4DYE
 | | Crystal structure of an enolase (putative sugar isomerase, target efi-502095) from streptomyces coelicolor, no mg, ordered loop | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, isomerase | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-28 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of an enolase (putative sugar isomerase, target efi-502095) from streptomyces coelicolor, no mg, ordered loop
to be published
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4DWJ
 | | Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with Thymidine Monophosphate | | Descriptor: | THYMIDINE-5'-PHOSPHATE, Thymidylate kinase | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-02-24 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with Thymidine Monophosphate
To be Published
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4DXY
 | | Crystal structures of CYP101D2 Y96A mutant | | Descriptor: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhou, W, Bell, S.G, Yang, W, Dale, A, Wong, L.-L. | | Deposit date: | 2012-02-28 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Improving the affinity and activity of CYP101D2 for hydrophobic substrates
Appl.Microbiol.Biotechnol., 2012
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4E2T
 | | Crystal Structures of RadA intein from Pyrococcus horikoshii | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Pho radA intein | | Authors: | Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H. | | Deposit date: | 2012-03-09 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | NMR and Crystal Structures of the Pyrococcus horikoshii RadA Intein Guide a Strategy for Engineering a Highly Efficient and Promiscuous Intein.
J.Mol.Biol., 421, 2012
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4E26
 | | BRAF in complex with an organic inhibitor 7898734 | | Descriptor: | 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol, Serine/threonine-protein kinase B-raf | | Authors: | Qin, J, Xie, P, Ventocilla, C, Zhou, G, Vultur, A, Chen, Q, Herlyn, M, Winkler, J, Marmorstein, R. | | Deposit date: | 2012-03-07 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Identification of a Novel Family of BRAF(V600E) Inhibitors.
J.Med.Chem., 55, 2012
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4E0V
 | | Structure of L-amino acid oxidase from the B. jararacussu venom | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-amino-acid oxidase | | Authors: | Ullah, A, Souza, T.A.C.B, Betzel, C, Murakami, M.T, Arni, R.K. | | Deposit date: | 2012-03-05 | | Release date: | 2012-04-25 | | Last modified: | 2012-08-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural insights into selectivity and cofactor binding in snake venom L-amino acid oxidases.
Biochem.Biophys.Res.Commun., 421, 2012
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4E2G
 | | Crystal structure of Cupin fold protein Sthe2323 from Sphaerobacter thermophilus | | Descriptor: | ACETATE ION, Cupin 2 conserved barrel domain protein, NICKEL (II) ION, ... | | Authors: | Chang, C, Hatzos-Skintges, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-03-08 | | Release date: | 2012-03-21 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of Cupin fold protein Sthe2323 from Sphaerobacter thermophilus
To be Published
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4E2I
 | | The Complex Structure of the SV40 Helicase Large T Antigen and p68 Subunit of DNA Polymerase Alpha-Primase | | Descriptor: | DNA polymerase alpha subunit B, Large T antigen, ZINC ION | | Authors: | Zhou, B, Arnett, D.R, Yu, X, Brewster, A, Sowd, G.A, Xie, C.L, Vila, S, Gai, D, Fanning, E, Chen, X.S. | | Deposit date: | 2012-03-08 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | Structural basis for the interaction of a hexameric replicative helicase with the regulatory subunit of human DNA polymerase alpha-primase.
J.Biol.Chem., 287, 2012
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4E2V
 | | tRNA-guanine transglycosylase Y106F, C158V mutant in complex with preQ1 | | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Schmidt, I, Reuter, K, Klebe, G, Heine, A, Tidten, N. | | Deposit date: | 2012-03-09 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
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4E2U
 | | Crystal Structures of RadAmin intein from Pyrococcus horikoshii | | Descriptor: | Pho radA intein | | Authors: | Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H. | | Deposit date: | 2012-03-09 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.582 Å) | | Cite: | NMR and Crystal Structures of the Pyrococcus horikoshii RadA Intein Guide a Strategy for Engineering a Highly Efficient and Promiscuous Intein.
J.Mol.Biol., 421, 2012
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4DBV
 | | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE MUTANT WITH LEU 33 REPLACED BY THR, THR 34 REPLACED BY GLY, ASP 36 REPLACED BY GLY, LEU 187 REPLACED BY ALA, AND PRO 188 REPLACED BY SER COMPLEXED WITH NADP+ | | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | | Authors: | Didierjean, C, Rahuel-Clermont, S, Vitoux, B, Dideberg, O, Branlant, G, Aubry, A. | | Deposit date: | 1997-01-06 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A crystallographic comparison between mutated glyceraldehyde-3-phosphate dehydrogenases from Bacillus stearothermophilus complexed with either NAD+ or NADP+.
J.Mol.Biol., 268, 1997
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4E4Y
 | | The crystal structure of a short chain dehydrogenase family protein from Francisella tularensis subsp. tularensis SCHU S4 | | Descriptor: | GLYCEROL, SULFATE ION, Short chain dehydrogenase family protein | | Authors: | Zhang, R, Zhou, M, Tan, K, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-13 | | Release date: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | The crystal structure of a short chain dehydrogenase family protein from Francisella tularensis subsp. tularensis SCHU S4
To be Published
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4E58
 | | Crystal structure of GCC(LCG)CCGC duplex containing LNA residue | | Descriptor: | RNA duplex containing CCG repeats, SULFATE ION | | Authors: | Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, R. | | Deposit date: | 2012-03-14 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Crystallographic characterization of CCG repeats.
Nucleic Acids Res., 40, 2012
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4E9E
 | | Structure of the glycosylase domain of MBD4 | | Descriptor: | Methyl-CpG-binding domain protein 4 | | Authors: | Morera, S, Vigouroux, A. | | Deposit date: | 2012-03-21 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biochemical and structural characterization of the glycosylase domain of MBD4 bound to thymine and 5-hydroxymethyuracil-containing DNA.
Nucleic Acids Res., 40, 2012
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