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BU of 3wd2 by Molmil

Serratia marcescens Chitinase B complexed with azide inhibitor
分子名称:	Chitinase B, DITHIANE DIOL, GLYCEROL, ...
著者	Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
登録日	2013-06-06
公開日	2013-09-18
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor Proc.Natl.Acad.Sci.USA, 110, 2013

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BU of 3wd1 by Molmil

Serratia marcescens Chitinase B complexed with syn-triazole inhibitor
分子名称:	Chitinase B, GLYCEROL, N,N-dibenzyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-N~2~-{[5-({[(E)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1H-1,2,3-triazol-1-yl]acetyl}-L-ornithinamide, ...
著者	Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
登録日	2013-06-06
公開日	2013-09-18
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor Proc.Natl.Acad.Sci.USA, 110, 2013

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BU of 3wd0 by Molmil

Serratia marcescens Chitinase B, tetragonal form
分子名称:	Chitinase B, DITHIANE DIOL, GLYCEROL, ...
著者	Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
登録日	2013-06-06
公開日	2013-09-18
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor Proc.Natl.Acad.Sci.USA, 110, 2013

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BU of 3wd4 by Molmil

Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound
分子名称:	(E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine, Chitinase B, GLYCEROL, ...
著者	Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
登録日	2013-06-06
公開日	2013-09-18
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor Proc.Natl.Acad.Sci.USA, 110, 2013

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BU of 3wd3 by Molmil

Serratia marcescens Chitinase B complexed with azide inhibitor
分子名称:	Chitinase B, GLYCEROL, SULFATE ION, ...
著者	Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
登録日	2013-06-06
公開日	2013-09-18
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor Proc.Natl.Acad.Sci.USA, 110, 2013

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BU of 5ir6 by Molmil

The structure of bd oxidase from Geobacillus thermodenitrificans
分子名称:	Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
著者	Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H.
登録日	2016-03-12
公開日	2016-05-04
最終更新日	2018-04-18
実験手法	X-RAY DIFFRACTION (3.8 Å)
主引用文献	Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases. Science, 352, 2016

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BU of 5doq by Molmil

The structure of bd oxidase from Geobacillus thermodenitrificans
分子名称:	Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
著者	Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H.
登録日	2015-09-11
公開日	2016-05-04
最終更新日	2018-04-18
実験手法	X-RAY DIFFRACTION (3.05 Å)
主引用文献	Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases. Science, 352, 2016

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BU of 2zqx by Molmil

Cytochrome P450BSbeta cocrystallized with heptanoic acid
分子名称:	Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE
著者	Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y.
登録日	2008-08-22
公開日	2009-08-25
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (2.37 Å)
主引用文献	Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis. J.Biol.Inorg.Chem., 2010

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BU of 2zqj by Molmil

Substrate-Free Form of Cytochrome P450BSbeta
分子名称:	Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE
著者	Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y.
登録日	2008-08-11
公開日	2009-09-01
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis. J.Biol.Inorg.Chem., 2010

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BU of 7w71 by Molmil

Crystal structure of the PDZ-C domain of E. coli RseP in complex with 12C7 Fab
分子名称:	Heavy chain of Fab, Light chain of Fab, Regulator of sigma-E protease RseP
著者	Hirose, T, Katagiri, S, Nogi, T.
登録日	2021-12-02
公開日	2022-09-07
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (3.2 Å)
主引用文献	Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP. Sci Adv, 8, 2022

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BU of 4z2k by Molmil

Serratia marcescens Chitinase B complexed with macrolide inhibitor 32
分子名称:	(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate, Chitinase B, GLYCEROL
著者	Maita, N, Sugawara, A, Sunazuka, T.
登録日	2015-03-30
公開日	2015-07-01
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015

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BU of 4z2h by Molmil

Serratia marcescens Chitinase B complexed with macrolide inhibitor 29
分子名称:	(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, CHLORIDE ION, Chitinase B, ...
著者	Maita, N, Sugawara, A, Sunazuka, T.
登録日	2015-03-30
公開日	2015-07-01
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015

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BU of 4z2i by Molmil

Serratia marcescens Chitinase B complexed with macrolide inhibitor 30
分子名称:	(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, Chitinase B, GLYCEROL, ...
著者	Maita, N, Sugawara, A, Sunazuka, T.
登録日	2015-03-30
公開日	2015-07-01
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015

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BU of 4z2g by Molmil

Serratia marcescens Chitinase B complexed with macrolide inhibitor 26
分子名称:	(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate, Chitinase B
著者	Maita, N, Sugawara, A, Sunazuka, T.
登録日	2015-03-30
公開日	2015-07-01
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015

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BU of 4z2l by Molmil

Serratia marcescens Chitinase B complexed with macrolide inhibitor 33
分子名称:	(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, CHLORIDE ION, Chitinase B, ...
著者	Maita, N, Sugawara, A, Sunazuka, T.
登録日	2015-03-30
公開日	2015-07-01
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015

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BU of 4z2j by Molmil

Serratia marcescens Chitinase B complexed with macrolide inhibitor 31
分子名称:	(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate, Chitinase B, GLYCEROL, ...
著者	Maita, N, Sugawara, A, Sunazuka, T.
登録日	2015-03-30
公開日	2015-07-01
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015

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BU of 6izp by Molmil

Solution structure of the complex of naphthyridine carbamate dimer and an RNA with UGGAA-UGGAA pentad
分子名称:	3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate, RNA (29-MER)
著者	Nagano, K, Shibata, T, Nakatani, K, Kawai, G.
登録日	2018-12-20
公開日	2019-12-25
最終更新日	2023-06-14
実験手法	SOLUTION NMR
主引用文献	Small molecule targeting r(UGGAA)n disrupts RNA foci and alleviates disease phenotype in Drosophila model Nat Commun, 12, 2021

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