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3WD4
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BU of 3wd4 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound
Descriptor: (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine, Chitinase B, GLYCEROL, ...
Authors: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.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
3WD2
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BU of 3wd2 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor
Descriptor: Chitinase B, DITHIANE DIOL, GLYCEROL, ...
Authors: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.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
3WD1
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BU of 3wd1 by Molmil
Serratia marcescens Chitinase B complexed with syn-triazole inhibitor
Descriptor: 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, ...
Authors: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.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
3WD3
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BU of 3wd3 by Molmil
Serratia marcescens Chitinase B complexed with azide inhibitor
Descriptor: Chitinase B, GLYCEROL, SULFATE ION, ...
Authors: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.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
3WD0
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BU of 3wd0 by Molmil
Serratia marcescens Chitinase B, tetragonal form
Descriptor: Chitinase B, DITHIANE DIOL, GLYCEROL, ...
Authors: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.
Deposit date:2013-06-06
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
5DOQ
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BU of 5doq by Molmil
The structure of bd oxidase from Geobacillus thermodenitrificans
Descriptor: Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
Authors:Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H.
Deposit date:2015-09-11
Release date:2016-05-04
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases.
Science, 352, 2016
2ZQJ
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BU of 2zqj by Molmil
Substrate-Free Form of Cytochrome P450BSbeta
Descriptor: Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y.
Deposit date:2008-08-11
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis.
J.Biol.Inorg.Chem., 2010
2ZQX
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BU of 2zqx by Molmil
Cytochrome P450BSbeta cocrystallized with heptanoic acid
Descriptor: Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y.
Deposit date:2008-08-22
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis.
J.Biol.Inorg.Chem., 2010
5IR6
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BU of 5ir6 by Molmil
The structure of bd oxidase from Geobacillus thermodenitrificans
Descriptor: Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
Authors:Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H.
Deposit date:2016-03-12
Release date:2016-05-04
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases.
Science, 352, 2016
7W71
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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
Descriptor: Heavy chain of Fab, Light chain of Fab, Regulator of sigma-E protease RseP
Authors:Hirose, T, Katagiri, S, Nogi, T.
Deposit date:2021-12-02
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
4Z2L
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BU of 4z2l by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 33
Descriptor: (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, ...
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
4Z2G
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BU of 4z2g by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 26
Descriptor: (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
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
4Z2J
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BU of 4z2j by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 31
Descriptor: (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, ...
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
4Z2K
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BU of 4z2k by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 32
Descriptor: (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
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
4Z2H
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BU of 4z2h by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 29
Descriptor: (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, ...
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
4Z2I
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BU of 4z2i by Molmil
Serratia marcescens Chitinase B complexed with macrolide inhibitor 30
Descriptor: (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, ...
Authors:Maita, N, Sugawara, A, Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
6IZP
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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
Descriptor: 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate, RNA (29-MER)
Authors:Nagano, K, Shibata, T, Nakatani, K, Kawai, G.
Deposit date:2018-12-20
Release date:2019-12-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Small molecule targeting r(UGGAA)n disrupts RNA foci and alleviates disease phenotype in Drosophila model
Nat Commun, 12, 2021

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