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2SIC
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BU of 2sic by Molmil
REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN'
著者Mitsui, Y, Takeuchi, Y, Hirono, S, Akagawa, H, Nakamura, K.T.
登録日1991-04-01
公開日1993-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Refined crystal structure of the complex of subtilisin BPN' and Streptomyces subtilisin inhibitor at 1.8 A resolution.
J.Mol.Biol., 221, 1991
3WD4
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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2024-10-30
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
3WD2
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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2024-10-16
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
3WD1
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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2024-10-09
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
3WD3
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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2024-10-09
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
3WD0
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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2024-10-30
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
5SIC
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BU of 5sic by Molmil
MOLECULAR RECOGNITION AT THE ACTIVE SITE OF SUBTILISIN BPN': CRYSTALLOGRAPHIC STUDIES USING GENETICALLY ENGINEERED PROTEINACEOUS INHIBITOR SSI (STREPTOMYCES SUBTILISIN INHIBITOR)
分子名称: CALCIUM ION, SUBTILISIN BPN', SUBTILISIN INHIBITOR (SSI)
著者Mitsui, Y, Takeuchi, Y, Nakamura, K.T.
登録日1991-11-18
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular recognition at the active site of subtilisin BPN': crystallographic studies using genetically engineered proteinaceous inhibitor SSI (Streptomyces subtilisin inhibitor).
Protein Eng., 4, 1991
3SIC
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BU of 3sic by Molmil
MOLECULAR RECOGNITION AT THE ACTIVE SITE OF SUBTILISIN BPN': CRYSTALLOGRAPHIC STUDIES USING GENETICALLY ENGINEERED PROTEINACEOUS INHIBITOR SSI (STREPTOMYCES SUBTILISIN INHIBITOR)
分子名称: CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN'
著者Mitsui, Y, Takeuchi, Y, Nakamura, K.T.
登録日1991-08-30
公開日1994-01-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular recognition at the active site of subtilisin BPN': crystallographic studies using genetically engineered proteinaceous inhibitor SSI (Streptomyces subtilisin inhibitor).
Protein Eng., 4, 1991
3SSI
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BU of 3ssi by Molmil
PROTEINASE INHIBITOR SSI (STREPTOMYCES SUBTILISIN, INHIBITOR) FROM STREPTOMYCES ALBOGRISEOLUS
分子名称: STREPTOMYCES SUBTILISIN INHIBITOR
著者Suzuki, T, Nonaka, T, Mitsui, Y.
登録日1996-03-01
公開日1996-08-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Modulation of the Protein Proteinase Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)
To be Published
4Z2I
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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2024-10-23
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
4Z2G
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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2024-10-30
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
4Z2L
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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2024-10-16
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
4Z2J
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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
4Z2K
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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2024-10-30
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
4Z2H
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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2024-10-16
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
3AN4
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BU of 3an4 by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R
分子名称: (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K.
登録日2010-08-30
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3AN3
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BU of 3an3 by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S
分子名称: (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K.
登録日2010-08-30
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011

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