3ULI
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![BU of 3uli by Molmil](/molmil-images/mine/3uli) | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | Descriptor: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | Authors: | Larsen, N.A, Tucker, J.A, Wang, T. | Deposit date: | 2011-11-10 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases. Bioorg.Med.Chem.Lett., 22, 2012
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3UEK
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![BU of 3uek by Molmil](/molmil-images/mine/3uek) | Crystal structure of the catalytic domain of rat poly (ADP-ribose) glycohydrolase | Descriptor: | Poly(ADP-ribose) glycohydrolase | Authors: | Kim, I.K, Kiefer, J.R, Stegemann, R.A, Classen, S, Tainer, J.A, Ellenberger, T. | Deposit date: | 2011-10-30 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of mammalian poly(ADP-ribose) glycohydrolase reveals a flexible tyrosine clasp as a substrate-binding element. Nat.Struct.Mol.Biol., 19, 2012
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3UGV
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![BU of 3ugv by Molmil](/molmil-images/mine/3ugv) | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG | Descriptor: | CHLORIDE ION, Enolase, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-11-03 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG to be published
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3USQ
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![BU of 3usq by Molmil](/molmil-images/mine/3usq) | Structure of D159S/Y194F glycogenin mutant truncated at residue 270 | Descriptor: | CHLORIDE ION, GLYCEROL, Glycogenin-1 | Authors: | Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A. | Deposit date: | 2011-11-23 | Release date: | 2011-12-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanisms of monomeric and dimeric glycogenin autoglucosylation. J.Biol.Chem., 287, 2012
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3UGE
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![BU of 3uge by Molmil](/molmil-images/mine/3uge) | Silver Metallated Pseudomonas aeruginosa Azurin at 1.70 A | Descriptor: | Azurin, SILVER ION | Authors: | Panzner, M.J, Billinovich, S.M, Parker, J.A, Bladholm, E, Berry, S.M, Ziegler, C.J, Leeper, T.C. | Deposit date: | 2011-11-02 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Silver Metallation of Pseudomonas aeruginosa Azurin To be Published
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3UEL
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![BU of 3uel by Molmil](/molmil-images/mine/3uel) | Crystal structure of the catalytic domain of rat poly (ADP-ribose) glycohydrolase bound to ADP-HPD | Descriptor: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Poly(ADP-ribose) glycohydrolase | Authors: | Kim, I.K, Kiefer, J.R, Stegemann, R.A, Classen, S, Tainer, J.A, Ellenberger, T. | Deposit date: | 2011-10-30 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of mammalian poly(ADP-ribose) glycohydrolase reveals a flexible tyrosine clasp as a substrate-binding element. Nat.Struct.Mol.Biol., 19, 2012
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3UIY
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![BU of 3uiy by Molmil](/molmil-images/mine/3uiy) | |
3S8E
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![BU of 3s8e by Molmil](/molmil-images/mine/3s8e) | |
3UPI
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![BU of 3upi by Molmil](/molmil-images/mine/3upi) | Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors | Descriptor: | (3S)-6-(2,5-difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G. | Deposit date: | 2011-11-18 | Release date: | 2012-01-25 | Last modified: | 2012-02-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors. Org.Lett., 14, 2012
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3UMV
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![BU of 3umv by Molmil](/molmil-images/mine/3umv) | Eukaryotic Class II CPD photolyase structure reveals a basis for improved UV-tolerance in plants | Descriptor: | 1,2-ETHANEDIOL, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Arvai, A.S, Hitomi, K, Getzoff, E.D, Tainer, J.A. | Deposit date: | 2011-11-14 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Eukaryotic Class II Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals Basis for Improved Ultraviolet Tolerance in Plants. J.Biol.Chem., 287, 2012
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3UOT
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![BU of 3uot by Molmil](/molmil-images/mine/3uot) | Crystal Structure of MDC1 FHA Domain in Complex with a Phosphorylated Peptide from the MDC1 N-terminus | Descriptor: | Mediator of DNA damage checkpoint protein 1 | Authors: | Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. | Deposit date: | 2011-11-17 | Release date: | 2011-12-28 | Last modified: | 2012-07-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator. Nucleic Acids Res., 40, 2012
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3V5C
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![BU of 3v5c by Molmil](/molmil-images/mine/3v5c) | Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | Authors: | Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-12-16 | Release date: | 2012-12-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg To be Published
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3UPH
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![BU of 3uph by Molmil](/molmil-images/mine/3uph) | Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors | Descriptor: | 6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G. | Deposit date: | 2011-11-18 | Release date: | 2012-01-25 | Last modified: | 2012-02-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors. Org.Lett., 14, 2012
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3USR
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![BU of 3usr by Molmil](/molmil-images/mine/3usr) | Structure of Y194F glycogenin mutant truncated at residue 270 | Descriptor: | CHLORIDE ION, GLYCEROL, Glycogenin-1 | Authors: | Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A. | Deposit date: | 2011-11-23 | Release date: | 2011-12-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanisms of monomeric and dimeric glycogenin autoglucosylation. J.Biol.Chem., 287, 2012
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3V2T
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![BU of 3v2t by Molmil](/molmil-images/mine/3v2t) | |
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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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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3UJ2
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![BU of 3uj2 by Molmil](/molmil-images/mine/3uj2) | CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE | Descriptor: | Enolase 1, MAGNESIUM ION, SULFATE ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-11-07 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE to be published
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3UIZ
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![BU of 3uiz by Molmil](/molmil-images/mine/3uiz) | |
3US9
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![BU of 3us9 by Molmil](/molmil-images/mine/3us9) | Crystal Structure of the NCX1 Intracellular Tandem Calcium Binding Domains(CBD12) | Descriptor: | CALCIUM ION, Sodium/calcium exchanger 1 | Authors: | Giladi, M, Sasson, Y, Hirsch, J.A, Khananshvili, D. | Deposit date: | 2011-11-23 | Release date: | 2012-07-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A common Ca2+-driven interdomain module governs eukaryotic NCX regulation. Plos One, 7, 2012
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3V1P
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![BU of 3v1p by Molmil](/molmil-images/mine/3v1p) | Crystal structure of the mutant Q185A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-12-09 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.37 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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3V3W
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![BU of 3v3w by Molmil](/molmil-images/mine/3v3w) | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-12-14 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol to be published
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3V4B
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![BU of 3v4b by Molmil](/molmil-images/mine/3v4b) | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and L-tartrate | Descriptor: | CHLORIDE ION, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-12-14 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and l-tartrate to be published
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3V5F
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![BU of 3v5f by Molmil](/molmil-images/mine/3v5f) | Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | Authors: | Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-12-16 | Release date: | 2012-12-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg To be Published
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3VHJ
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![BU of 3vhj by Molmil](/molmil-images/mine/3vhj) | |