4KPK
 
 | | Crystal structure of a enoyl-CoA hydratase from Shewanella pealeana ATCC 700345 | | 分子名称: | 1,2-ETHANEDIOL, Enoyl-CoA hydratase/isomerase | | 著者 | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-05-13 | | 公開日 | 2013-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Crystal structure of a enoyl-CoA hydratase from Shewanella pealeana ATCC 700345
To be Published
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4LKB
 | | Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120 | | 分子名称: | GLYCEROL, SULFATE ION, hypothetical protein alr4568/putative 4-Oxalocrotonate Tautomerase | | 著者 | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-07-07 | | 公開日 | 2013-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120
To be Published
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4KD6
 | | Crystal structure of a Enoyl-CoA hydratase/isomerase from Burkholderia graminis C4D1M | | 分子名称: | Enoyl-CoA hydratase/isomerase | | 著者 | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-04-24 | | 公開日 | 2013-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of a Enoyl-CoA hydratase/isomerase from Burkholderia graminis C4D1M
To be Published
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3V8B
 | | Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021 | | 分子名称: | Putative dehydrogenase, possibly 3-oxoacyl-[acyl-carrier protein] reductase | | 著者 | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2011-12-22 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal Structure of a 3-ketoacyl-ACP reductase from Sinorhizobium meliloti 1021
To be Published
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4M1A
 | | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldella termitidis ATCC 33386 | | 分子名称: | Hypothetical protein | | 著者 | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-08-02 | | 公開日 | 2013-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldellatermitidis ATCC 33386
To be Published
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4DUP
 | | Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42 | | 分子名称: | quinone oxidoreductase | | 著者 | Kumaran, D, Rice, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2012-02-22 | | 公開日 | 2012-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42
To be Published
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6AR9
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6APT
 | | Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) | | 分子名称: | DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) | | 著者 | Teran, D, Guddat, L.W. | | 登録日 | 2017-08-17 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | | 主引用文献 | Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
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6APS
 | | Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3 diyl)bis(oxy)]bis(methylene))diphosphonic acid | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, ... | | 著者 | Teran, D, Guddat, L.W. | | 登録日 | 2017-08-17 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.762 Å) | | 主引用文献 | Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
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5JBQ
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7OSD
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7OS8
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6HVC
 | | NMR structure of Urotensin Peptide Asp-c[Cys-Phe-Trp-(N-Me)Lys-Tyr-Cys]-Val in SDS solution | | 分子名称: | Urotensin-2 | | 著者 | Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P. | | 登録日 | 2018-10-10 | | 公開日 | 2019-01-16 | | 最終更新日 | 2019-04-24 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
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6QXB
 | | NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli | | 分子名称: | PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | 著者 | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | 登録日 | 2019-03-07 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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6QXC
 | | NMR structure of peptide 8, characterized by a trans-4-cyclohexyl-Pro, with a dramatic reduction in activity on E. coli ATCC and lost effect on P. aeruginosa. | | 分子名称: | PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | 著者 | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | 登録日 | 2019-03-07 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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5OJT
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6HVB
 | | NMR structure of Urotensin Peptide Asp-c[Cys-Phe-(N-Me)Trp-Lys-Tyr-Cys]-Val in SDS solution | | 分子名称: | Urotensin-2 | | 著者 | Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P. | | 登録日 | 2018-10-10 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
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2QS8
 | | Crystal structure of a Xaa-Pro dipeptidase with bound methionine in the active site | | 分子名称: | MAGNESIUM ION, METHIONINE, Xaa-Pro Dipeptidase | | 著者 | Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2007-07-30 | | 公開日 | 2007-08-21 | | 最終更新日 | 2021-02-03 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Functional annotation of two new carboxypeptidases from the amidohydrolase superfamily of enzymes.
Biochemistry, 48, 2009
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6FCE
 | | NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors | | 分子名称: | ACP-HIS-DPHE-ARG-TRP-ASP-NH2 | | 著者 | Brancaccio, D, Carotenuto, A, Grieco, P, Merlino, F, Zhou, Y, Cai, M, Yousif, A.M, Di Maro, S, Novellino, E, Hruby, V.J. | | 登録日 | 2017-12-20 | | 公開日 | 2018-04-25 | | 最終更新日 | 2018-05-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors.
J. Med. Chem., 61, 2018
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8GF4
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3QW7
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC | | 分子名称: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | | 著者 | Kumaran, D, Swaminathan, S. | | 登録日 | 2011-02-27 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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3QW6
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC | | 分子名称: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | | 著者 | Kumaran, D, Swaminathan, S. | | 登録日 | 2011-02-26 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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3QW8
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC | | 分子名称: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, SODIUM ION, ... | | 著者 | Kumaran, D, Swaminathan, S. | | 登録日 | 2011-02-27 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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3QW5
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRGF | | 分子名称: | Botulinum neurotoxin type A, SULFATE ION, ZINC ION, ... | | 著者 | Kumaran, D, Swaminathan, S. | | 登録日 | 2011-02-26 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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8GDW
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