1KE6
 
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | | 分子名称: | Cell division protein kinase 2, N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | | 著者 | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.H, Shewchuk, L.M, Kuyper, L.F. | | 登録日 | 2001-11-14 | | 公開日 | 2002-05-14 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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3D2Z
 | | Complex of the N-acetylmuramyl-L-alanine amidase AmiD from E.coli with the product L-Ala-D-gamma-Glu-L-Lys | | 分子名称: | CHLORIDE ION, L-Ala-D-gamma-Glu-L-Lys peptide, N-acetylmuramoyl-L-alanine amidase amiD, ... | | 著者 | Kerff, F, Petrella, S, Herman, R, Sauvage, E, Mercier, F, Luxen, A, Frere, J.M, Joris, B, Charlier, P. | | 登録日 | 2008-05-09 | | 公開日 | 2009-06-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Specific Structural Features of the N-Acetylmuramoyl-l-Alanine Amidase AmiD from Escherichia coli and Mechanistic Implications for Enzymes of This Family.
J.Mol.Biol., 397, 2010
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4IDK
 | | HIV-1 reverse transcriptase with bound fragment at the 428 site | | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Bauman, J.D, Patel, D, Arnold, E. | | 登録日 | 2012-12-12 | | 公開日 | 2013-02-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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3D2Y
 | | Complex of the N-acetylmuramyl-L-alanine amidase AmiD from E.coli with the substrate anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys | | 分子名称: | Anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys, GLYCEROL, N-acetylmuramoyl-L-alanine amidase amiD | | 著者 | Kerff, F, Petrella, S, Herman, R, Sauvage, E, Mercier, F, Luxen, A, Frere, J.M, Joris, B, Charlier, P. | | 登録日 | 2008-05-09 | | 公開日 | 2009-06-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Specific Structural Features of the N-Acetylmuramoyl-l-Alanine Amidase AmiD from Escherichia coli and Mechanistic Implications for Enzymes of This Family.
J.Mol.Biol., 397, 2010
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1TUG
 | | Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide, Malonate, and Cytidine-5-Prime-Triphosphate (CTP) | | 分子名称: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | | 著者 | Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R. | | 登録日 | 2004-06-24 | | 公開日 | 2004-07-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
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3ZGP
 | | NMR structure of the catalytic domain from E. faecium L,D- transpeptidase acylated by ertapenem | | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ERFK/YBIS/YCFS/YNHG | | 著者 | Lecoq, L, Triboulet, S, Dubee, V, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P. | | 登録日 | 2012-12-18 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism.
Acs Chem.Biol., 8, 2013
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4ID5
 | | HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site | | 分子名称: | 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | 著者 | Bauman, J.D, Patel, D, Arnold, E. | | 登録日 | 2012-12-11 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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5QIW
 | | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102660 | | 分子名称: | N-[(E)-(4-methylphenyl)methylidene]acetamide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2 | | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | | 登録日 | 2018-08-10 | | 公開日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Covalent fragment group deposition
To Be Published
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3ZG4
 | | NMR structure of the catalytic domain from E. faecium L,D- transpeptidase | | 分子名称: | ERFK/YBIS/YCFS/YNHG | | 著者 | Lecoq, L, Dubee, V, Triboulet, S, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P. | | 登録日 | 2012-12-14 | | 公開日 | 2013-04-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism.
Acs Chem.Biol., 8, 2013
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2AVX
 | | solution structure of E coli SdiA1-171 | | 分子名称: | N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE, Regulatory protein sdiA | | 著者 | Yao, Y, Martinez-Yamout, M.A, Dickerson, T.J, Brogan, A.P, Wright, P.E, Dyson, H.J. | | 登録日 | 2005-08-30 | | 公開日 | 2006-06-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the Escherichia coli quorum sensing protein SdiA: activation of the folding switch by acyl homoserine lactones.
J.Mol.Biol., 355, 2006
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4I7F
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4ICL
 | | HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site | | 分子名称: | 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | 著者 | Bauman, J.D, Patel, D, Arnold, E. | | 登録日 | 2012-12-10 | | 公開日 | 2013-02-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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1JL1
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4IFV
 | | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening | | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, Exoribonuclease H, ... | | 著者 | Bauman, J.D, Patel, D, Fromer, M, Arnold, E. | | 登録日 | 2012-12-15 | | 公開日 | 2013-02-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
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2KOR
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2Q85
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5UFM
 | | Crystal structure of Burkholderia thailandensis 1,6-didemethyltoxoflavin-N1-methyltransferase with bound 1,6-didemethyltoxoflavin and S-adenosylhomocysteine | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Methyltransferase domain protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Fenwick, M.K, Ealick, S.E, Almabruk, K.H, Begley, T.P, Philmus, B. | | 登録日 | 2017-01-05 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Biochemical Characterization and Structural Basis of Reactivity and Regioselectivity Differences between Burkholderia thailandensis and Burkholderia glumae 1,6-Didesmethyltoxoflavin N-Methyltransferase.
Biochemistry, 56, 2017
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3GHQ
 | | Crystal Structure of E. coli W35F BFR mutant | | 分子名称: | Bacterioferritin, FE (III) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Crow, A, Lawson, T.L, Lewin, A, Moore, G.R, Le Brun, N.E. | | 登録日 | 2009-03-04 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Monitoring the iron status of the ferroxidase center of Escherichia coli bacterioferritin using fluorescence spectroscopy.
Biochemistry, 48, 2009
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1G15
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2EWJ
 | | Escherichia Coli Replication Terminator Protein (Tus) Complexed With DNA- Locked form | | 分子名称: | 5'-D(*T*TP*AP*GP*TP*TP*AP*CP*AP*AP*CP*AP*TP*AP*CP*T)-3', 5'-D(*TP*G*AP*TP*AP*TP*GP*TP*TP*GP*TP*AP*AP*CP*TP*A)-3', DNA replication terminus site-binding protein, ... | | 著者 | Oakley, A.J, Mulcair, M.D, Schaeffer, P.M, Dixon, N.E. | | 登録日 | 2005-11-03 | | 公開日 | 2006-05-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A molecular mousetrap determines polarity of termination of DNA replication in E. coli.
Cell(Cambridge,Mass.), 125, 2006
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1TU0
 | | Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide | | 分子名称: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, PHOSPHONOACETAMIDE, ... | | 著者 | Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R. | | 登録日 | 2004-06-23 | | 公開日 | 2004-07-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
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1TOI
 | | Hydrocinnamic acid-bound structure of Hexamutant + A293D mutant of E. coli aspartate aminotransferase | | 分子名称: | Aspartate aminotransferase, HYDROCINNAMIC ACID | | 著者 | Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F. | | 登録日 | 2004-06-14 | | 公開日 | 2004-10-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
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1TTH
 | | Aspartate Transcarbamoylase Catalytic Chain Mutant Glu50Ala Complexed with N-(Phosphonacetyl-L-Aspartate) (PALA) | | 分子名称: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ... | | 著者 | Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R. | | 登録日 | 2004-06-22 | | 公開日 | 2004-07-20 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
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4BWR
 | | Crystal structure of c5321: a protective antigen present in uropathogenic Escherichia coli strains displaying an SLR fold | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Urosev, D, Ferrer-Navarro, M, Pastorello, I, Cartocci, E, Costenaro, L, Zhulenkovs, D, Marechal, J.-D, Leonchiks, A, Reverter, D, Serino, L, Soriani, M, Daura, X. | | 登録日 | 2013-07-04 | | 公開日 | 2013-07-24 | | 最終更新日 | 2013-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying an Slr Fold.
Bmc Struct.Biol., 13, 2013
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3QLH
 | | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | | 分子名称: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | 著者 | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | | 登録日 | 2011-02-02 | | 公開日 | 2011-12-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
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