3RCM
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![BU of 3rcm by Molmil](/molmil-images/mine/3rcm) | crystal structure of EFI target 500140:TatD family hydrolase from Pseudomonas putida | Descriptor: | ACETATE ION, CITRIC ACID, TatD family hydrolase, ... | Authors: | Kim, J, Toro, R, Hillerich, B, Seidel, R.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-03-31 | Release date: | 2011-04-20 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | crystal structure of EFI target 500140:TatD family hydrolase from Pseudomonas putida TO BE PUBLISHED
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3RG2
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![BU of 3rg2 by Molmil](/molmil-images/mine/3rg2) | |
3QKU
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![BU of 3qku by Molmil](/molmil-images/mine/3qku) | Mre11 Rad50 binding domain in complex with Rad50 and AMP-PNP | Descriptor: | DNA double-strand break repair protein mre11, DNA double-strand break repair rad50 ATPase, MAGNESIUM ION, ... | Authors: | Williams, G.J, Williams, R.S, Arvai, A, Moncalian, G, Tainer, J.A. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair. Nat.Struct.Mol.Biol., 18, 2011
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3TV5
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![BU of 3tv5 by Molmil](/molmil-images/mine/3tv5) | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 1 | Descriptor: | (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, Acetyl-CoA carboxylase | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | Deposit date: | 2011-09-19 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion. J.Biol.Chem., 286, 2011
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3QMS
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![BU of 3qms by Molmil](/molmil-images/mine/3qms) | Crystal structure of the mutant T159V,V182A,Y206F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-02-05 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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3QF0
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![BU of 3qf0 by Molmil](/molmil-images/mine/3qf0) | Crystal structure of the mutant T159V,Y206F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-01-20 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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3QFW
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![BU of 3qfw by Molmil](/molmil-images/mine/3qfw) | Crystal structure of Rubisco-like protein from Rhodopseudomonas palustris | Descriptor: | Ribulose-1,5-bisphosphate carboxylase/oxygenase large subunit, SULFATE ION | Authors: | Fedorov, A.A, Fedorov, E.V, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2011-01-23 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.789 Å) | Cite: | Crystal structure of Rubisco-like protein from Rhodopseudomonas palustris To be Published
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3QMR
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![BU of 3qmr by Molmil](/molmil-images/mine/3qmr) | Crystal structure of the mutant R160A,V182A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-02-05 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3213 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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3R4V
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![BU of 3r4v by Molmil](/molmil-images/mine/3r4v) | Structure of the phage tubulin PhuZ-GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein | Authors: | Agard, D.A, Pogliano, J, Kraemer, J.A, Erb, M.L, Waddling, C.A, Montabana, E.A, Wang, H, Nguyen, K, Pham, S. | Deposit date: | 2011-03-17 | Release date: | 2012-07-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A phage tubulin assembles dynamic filaments by an atypical mechanism to center viral DNA within the host cell. Cell(Cambridge,Mass.), 149, 2012
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3RLV
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![BU of 3rlv by Molmil](/molmil-images/mine/3rlv) | Crystal structure of the mutant Y206F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-04-20 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.421 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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3R11
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![BU of 3r11 by Molmil](/molmil-images/mine/3r11) | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg and Fumarate complex | Descriptor: | Enzyme of enolase superfamily, FUMARIC ACID, GLYCEROL, ... | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-03-09 | Release date: | 2011-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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3RB8
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![BU of 3rb8 by Molmil](/molmil-images/mine/3rb8) | Structure of the phage tubulin PhuZ(SeMet)-GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein | Authors: | Agard, D.A, Pogliano, J, Kraemer, J.A, Erb, M.L, Waddling, C.A, Montabana, E.A, Wang, H, Nguyen, K, Pham, S. | Deposit date: | 2011-03-28 | Release date: | 2012-07-04 | Last modified: | 2013-01-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A phage tubulin assembles dynamic filaments by an atypical mechanism to center viral DNA within the host cell. Cell(Cambridge,Mass.), 149, 2012
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3TOT
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![BU of 3tot by Molmil](/molmil-images/mine/3tot) | Crystal structure of GLUTATHIONE TRANSFERASE (TARGET EFI-501058) from Ralstonia solanacearum GMI1000 | Descriptor: | ACETATE ION, Glutathione s-transferase protein | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-09-06 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of GLUTATHIONE S-TRANSFERASE from Ralstonia solanacearum To be Published
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3TTE
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![BU of 3tte by Molmil](/molmil-images/mine/3tte) | Crystal structure of enolase brado_4202 (target EFI-501651) from Bradyrhizobium complexed with magnesium and mandelic acid | Descriptor: | (S)-MANDELIC ACID, FORMIC ACID, GLYCEROL, ... | Authors: | Patskovsky, Y, Kim, J, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammond, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-09-14 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Mandelate Racemase from Bradyrhizobium Sp. Ors278 To be Published
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3TOU
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![BU of 3tou by Molmil](/molmil-images/mine/3tou) | Crystal structure of GLUTATHIONE TRANSFERASE (TARGET EFI-501058) from Ralstonia solanacearum GMI1000 with GSH bound | Descriptor: | ACETATE ION, GLUTATHIONE, Glutathione s-transferase protein | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-09-06 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of GLUTATHIONE S-TRANSFERASE from Ralstonia solanacearum To be Published
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3QKS
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![BU of 3qks by Molmil](/molmil-images/mine/3qks) | Mre11 Rad50 binding domain bound to Rad50 | Descriptor: | DNA double-strand break repair protein mre11, DNA double-strand break repair rad50 ATPase | Authors: | Williams, G.J, Williams, R.S, Arvai, A, Moncalian, G, Tainer, J.A. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair. Nat.Struct.Mol.Biol., 18, 2011
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3QB3
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![BU of 3qb3 by Molmil](/molmil-images/mine/3qb3) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92KL25A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-01-12 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Relocation of internal ionizable residues to cavities created by single alanine substitutions To be Published
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3QEZ
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![BU of 3qez by Molmil](/molmil-images/mine/3qez) | Crystal structure of the mutant T159V,V182A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-01-20 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5431 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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3Q7Q
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![BU of 3q7q by Molmil](/molmil-images/mine/3q7q) | Crystal Structure of Rad G-domain Q148A-GTP Analog Complex | Descriptor: | CALCIUM ION, GTP-binding protein RAD, MAGNESIUM ION, ... | Authors: | Sasson, Y, Navon-Perry, L, Hirsch, J.A. | Deposit date: | 2011-01-05 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties. J.Mol.Biol., 413, 2011
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3Q85
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![BU of 3q85 by Molmil](/molmil-images/mine/3q85) | Crystal Structure of Rem2 G-domain -GTP Analog Complex | Descriptor: | GTP-binding protein REM 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Navon-Perry, L, Hirsch, J.A. | Deposit date: | 2011-01-06 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.757 Å) | Cite: | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties. J.Mol.Biol., 413, 2011
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3QKT
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![BU of 3qkt by Molmil](/molmil-images/mine/3qkt) | Rad50 ABC-ATPase with adjacent coiled-coil region in complex with AMP-PNP | Descriptor: | DNA double-strand break repair rad50 ATPase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Williams, G.J, Williams, R.S, Arvai, A, Moncalian, G, Tainer, J.A. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair. Nat.Struct.Mol.Biol., 18, 2011
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3TVU
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![BU of 3tvu by Molmil](/molmil-images/mine/3tvu) | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 3 | Descriptor: | 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline, Acetyl-CoA carboxylase | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | Deposit date: | 2011-09-20 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion. J.Biol.Chem., 286, 2011
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3TZ3
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![BU of 3tz3 by Molmil](/molmil-images/mine/3tz3) | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 2 | Descriptor: | 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | Deposit date: | 2011-09-26 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion. J.Biol.Chem., 286, 2011
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3TK2
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![BU of 3tk2 by Molmil](/molmil-images/mine/3tk2) | |
3TNW
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![BU of 3tnw by Molmil](/molmil-images/mine/3tnw) | Structure of CDK2/cyclin A in complex with CAN508 | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Baumli, S, Hole, A.J, Endicott, J.A. | Deposit date: | 2011-09-02 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508. Acs Chem.Biol., 7, 2012
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