4KPK
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![BU of 4kpk by Molmil](/molmil-images/mine/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
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![BU of 4lkb by Molmil](/molmil-images/mine/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
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![BU of 4kd6 by Molmil](/molmil-images/mine/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
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![BU of 3v8b by Molmil](/molmil-images/mine/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
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![BU of 4m1a by Molmil](/molmil-images/mine/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
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![BU of 4dup by Molmil](/molmil-images/mine/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
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![BU of 6apt by Molmil](/molmil-images/mine/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
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![BU of 6aps by Molmil](/molmil-images/mine/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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![BU of 5jbq by Molmil](/molmil-images/mine/5jbq) | |
7OSD
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![BU of 7osd by Molmil](/molmil-images/mine/7osd) | |
7OS8
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![BU of 7os8 by Molmil](/molmil-images/mine/7os8) | |
6HVC
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![BU of 6hvc by Molmil](/molmil-images/mine/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
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![BU of 6qxb by Molmil](/molmil-images/mine/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
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![BU of 6qxc by Molmil](/molmil-images/mine/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
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![BU of 6hvb by Molmil](/molmil-images/mine/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
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![BU of 2qs8 by Molmil](/molmil-images/mine/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
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![BU of 6fce by Molmil](/molmil-images/mine/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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![BU of 8gf4 by Molmil](/molmil-images/mine/8gf4) | |
3QW7
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![BU of 3qw7 by Molmil](/molmil-images/mine/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
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![BU of 3qw6 by Molmil](/molmil-images/mine/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
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![BU of 3qw8 by Molmil](/molmil-images/mine/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
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![BU of 3qw5 by Molmil](/molmil-images/mine/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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![BU of 8gdw by Molmil](/molmil-images/mine/8gdw) | |