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3ULI
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BU of 3uli by Molmil
Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative
分子名称: 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2
著者Larsen, N.A, Tucker, J.A, Wang, T.
登録日2011-11-10
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
3UEK
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BU of 3uek by Molmil
Crystal structure of the catalytic domain of rat poly (ADP-ribose) glycohydrolase
分子名称: Poly(ADP-ribose) glycohydrolase
著者Kim, I.K, Kiefer, J.R, Stegemann, R.A, Classen, S, Tainer, J.A, Ellenberger, T.
登録日2011-10-30
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of mammalian poly(ADP-ribose) glycohydrolase reveals a flexible tyrosine clasp as a substrate-binding element.
Nat.Struct.Mol.Biol., 19, 2012
3UGV
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BU of 3ugv by Molmil
Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG
分子名称: CHLORIDE ION, Enolase, MAGNESIUM ION, ...
著者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)
登録日2011-11-03
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG
to be published
3USQ
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BU of 3usq by Molmil
Structure of D159S/Y194F glycogenin mutant truncated at residue 270
分子名称: CHLORIDE ION, GLYCEROL, Glycogenin-1
著者Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A.
登録日2011-11-23
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
3UGE
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BU of 3uge by Molmil
Silver Metallated Pseudomonas aeruginosa Azurin at 1.70 A
分子名称: Azurin, SILVER ION
著者Panzner, M.J, Billinovich, S.M, Parker, J.A, Bladholm, E, Berry, S.M, Ziegler, C.J, Leeper, T.C.
登録日2011-11-02
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Silver Metallation of Pseudomonas aeruginosa Azurin
To be Published
3UEL
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BU of 3uel by Molmil
Crystal structure of the catalytic domain of rat poly (ADP-ribose) glycohydrolase bound to ADP-HPD
分子名称: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Poly(ADP-ribose) glycohydrolase
著者Kim, I.K, Kiefer, J.R, Stegemann, R.A, Classen, S, Tainer, J.A, Ellenberger, T.
登録日2011-10-30
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of mammalian poly(ADP-ribose) glycohydrolase reveals a flexible tyrosine clasp as a substrate-binding element.
Nat.Struct.Mol.Biol., 19, 2012
3UIY
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BU of 3uiy by Molmil
Crystal structure of SefD_dscA in H2O
分子名称: Chimera protein of SefD and SefA
著者Garnett, J.A, Wei-chao, L, Liu, B, Matthews, S.J.
登録日2011-11-07
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Promoting crystallisation of the Salmonella enteritidis fimbriae 14 pilin SefD using deuterium oxide.
Biochem.Biophys.Res.Commun., 421, 2012
3S8E
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BU of 3s8e by Molmil
Phosphorylation regulates assembly of the caspase-6 substrate-binding groove
分子名称: Caspase-6
著者Velazquez-Delgado, E.M, Hardy, J.A.
登録日2011-05-27
公開日2012-04-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Phosphorylation regulates assembly of the caspase-6 substrate-binding groove.
Structure, 20, 2012
3UPI
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BU of 3upi by Molmil
Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors
分子名称: (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
著者Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G.
登録日2011-11-18
公開日2012-01-25
最終更新日2012-02-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors.
Org.Lett., 14, 2012
3UMV
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BU of 3umv by Molmil
Eukaryotic Class II CPD photolyase structure reveals a basis for improved UV-tolerance in plants
分子名称: 1,2-ETHANEDIOL, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Arvai, A.S, Hitomi, K, Getzoff, E.D, Tainer, J.A.
登録日2011-11-14
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Eukaryotic Class II Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals Basis for Improved Ultraviolet Tolerance in Plants.
J.Biol.Chem., 287, 2012
3UOT
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BU of 3uot by Molmil
Crystal Structure of MDC1 FHA Domain in Complex with a Phosphorylated Peptide from the MDC1 N-terminus
分子名称: Mediator of DNA damage checkpoint protein 1
著者Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J.
登録日2011-11-17
公開日2011-12-28
最終更新日2012-07-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator.
Nucleic Acids Res., 40, 2012
3V5C
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BU of 3v5c by Molmil
Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein
著者Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Almo, S.C.
登録日2011-12-16
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg
To be Published
3UPH
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BU of 3uph by Molmil
Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors
分子名称: 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
著者Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G.
登録日2011-11-18
公開日2012-01-25
最終更新日2012-02-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors.
Org.Lett., 14, 2012
3USR
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BU of 3usr by Molmil
Structure of Y194F glycogenin mutant truncated at residue 270
分子名称: CHLORIDE ION, GLYCEROL, Glycogenin-1
著者Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A.
登録日2011-11-23
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
3V2T
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BU of 3v2t by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V66A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
登録日2011-12-12
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pressure effects in proteins
To be Published
3TTE
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BU of 3tte by Molmil
Crystal structure of enolase brado_4202 (target EFI-501651) from Bradyrhizobium complexed with magnesium and mandelic acid
分子名称: (S)-MANDELIC ACID, FORMIC ACID, GLYCEROL, ...
著者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)
登録日2011-09-14
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Mandelate Racemase from Bradyrhizobium Sp. Ors278
To be Published
3TOT
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BU of 3tot by Molmil
Crystal structure of GLUTATHIONE TRANSFERASE (TARGET EFI-501058) from Ralstonia solanacearum GMI1000
分子名称: ACETATE ION, Glutathione s-transferase protein
著者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)
登録日2011-09-06
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of GLUTATHIONE S-TRANSFERASE from Ralstonia solanacearum
To be Published
3UJ2
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BU of 3uj2 by Molmil
CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE
分子名称: Enolase 1, MAGNESIUM ION, SULFATE ION
著者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)
登録日2011-11-07
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE
to be published
3UIZ
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BU of 3uiz by Molmil
Crystal structure of SefD_dscA in D2O
分子名称: Chimera protein of SefD and SefA
著者Garnett, J.A, Wei-chao, L, Liu, B, Matthews, S.J.
登録日2011-11-07
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Promoting crystallisation of the Salmonella enteritidis fimbriae 14 pilin SefD using deuterium oxide.
Biochem.Biophys.Res.Commun., 421, 2012
3US9
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BU of 3us9 by Molmil
Crystal Structure of the NCX1 Intracellular Tandem Calcium Binding Domains(CBD12)
分子名称: CALCIUM ION, Sodium/calcium exchanger 1
著者Giladi, M, Sasson, Y, Hirsch, J.A, Khananshvili, D.
登録日2011-11-23
公開日2012-07-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献A common Ca2+-driven interdomain module governs eukaryotic NCX regulation.
Plos One, 7, 2012
3V1P
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BU of 3v1p by Molmil
Crystal structure of the mutant Q185A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
登録日2011-12-09
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
3V3W
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BU of 3v3w by Molmil
Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
著者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)
登録日2011-12-14
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol
to be published
3V4B
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BU of 3v4b by Molmil
Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and L-tartrate
分子名称: CHLORIDE ION, L(+)-TARTARIC ACID, MAGNESIUM ION, ...
著者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)
登録日2011-12-14
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and l-tartrate
to be published
3V5F
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BU of 3v5f by Molmil
Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein
著者Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Almo, S.C.
登録日2011-12-16
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg
To be Published
3VHJ
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BU of 3vhj by Molmil
Crystal structure of the cytoplasmic domain of BfpC
分子名称: BfpC
著者Yamagata, A, Tainer, J.A, Donnenberg, M.S.
登録日2011-08-25
公開日2012-05-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of an Essential Type IV Pilus Biogenesis Protein Provides Insights into Pilus and Type II Secretion Systems
J.Mol.Biol., 419, 2012

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