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2SIC
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REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION
Descriptor:SUBTILISIN BPN', STREPTOMYCES SUBTILISIN INHIBITOR (SSI), CALCIUM ION
Authors:Mitsui, Y., Takeuchi, Y., Hirono, S., Akagawa, H., Nakamura, K.T.
Deposit date:1991-04-01
Release date:1993-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Refined crystal structure of the complex of subtilisin BPN' and Streptomyces subtilisin inhibitor at 1.8 A resolution.
J.Mol.Biol., 221, 1991
3SIC
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MOLECULAR RECOGNITION AT THE ACTIVE SITE OF SUBTILISIN BPN': CRYSTALLOGRAPHIC STUDIES USING GENETICALLY ENGINEERED PROTEINACEOUS INHIBITOR SSI (STREPTOMYCES SUBTILISIN INHIBITOR)
Descriptor:SUBTILISIN BPN', STREPTOMYCES SUBTILISIN INHIBITOR (SSI), CALCIUM ION
Authors:Mitsui, Y., Takeuchi, Y., Nakamura, K.T.
Deposit date:1991-08-30
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular recognition at the active site of subtilisin BPN': crystallographic studies using genetically engineered proteinaceous inhibitor SSI (Streptomyces subtilisin inhibitor).
Protein Eng., 4, 1991
5SIC
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MOLECULAR RECOGNITION AT THE ACTIVE SITE OF SUBTILISIN BPN': CRYSTALLOGRAPHIC STUDIES USING GENETICALLY ENGINEERED PROTEINACEOUS INHIBITOR SSI (STREPTOMYCES SUBTILISIN INHIBITOR)
Descriptor:SUBTILISIN BPN', SUBTILISIN INHIBITOR (SSI), CALCIUM ION
Authors:Mitsui, Y., Takeuchi, Y., Nakamura, K.T.
Deposit date:1991-11-18
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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PROTEINASE INHIBITOR SSI (STREPTOMYCES SUBTILISIN, INHIBITOR) FROM STREPTOMYCES ALBOGRISEOLUS
Descriptor:STREPTOMYCES SUBTILISIN INHIBITOR
Authors:Suzuki, T., Nonaka, T., Mitsui, Y.
Deposit date:1996-03-01
Release date:1996-08-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Modulation of the Protein Proteinase Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)
To be Published
3AN3
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MO3S
Descriptor:Peroxisome proliferator-activated receptor gamma, (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
Authors:Oyama, T., Ohashi, M., Waku, T., Miyachi, H., Morikawa, K.
Deposit date:2010-08-30
Release date:2011-07-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3AN4
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MO4R
Descriptor:Peroxisome proliferator-activated receptor gamma, (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
Authors:Oyama, T., Ohashi, M., Waku, T., Miyachi, H., Morikawa, K.
Deposit date:2010-08-30
Release date:2011-07-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3WD0
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SERRATIA MARCESCENS CHITINASE B, TETRAGONAL FORM
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:2013-11-06
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
3WD1
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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH SYN-TRIAZOLE 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:2013-11-06
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
3WD2
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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH AZIDE INHIBITOR
Descriptor:Chitinase B, [2-[[(2S)-1-[bis(phenylmethyl)amino]-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide, 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:2013-11-06
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
3WD3
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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH AZIDE INHIBITOR
Descriptor:Chitinase B, [2-[[(2S)-1-[bis(phenylmethyl)amino]-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide, 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:2013-11-06
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
3WD4
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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH AZIDE INHIBITOR AND QUINOLINE COMPOUND
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:2013-11-06
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
4Z2G
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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH MACROLIDE INHIBITOR 26
Descriptor:Chitinase B, (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
Authors:Maita, N., Sugawara, A., Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2015-07-08
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
4Z2H
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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH MACROLIDE INHIBITOR 29
Descriptor:Chitinase B, (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, GLYCEROL, ...
Authors:Maita, N., Sugawara, A., Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2015-07-08
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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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH MACROLIDE INHIBITOR 30
Descriptor:Chitinase B, (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, SODIUM ION, ...
Authors:Maita, N., Sugawara, A., Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2015-07-08
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
4Z2J
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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH MACROLIDE INHIBITOR 31
Descriptor:Chitinase B, (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, GLYCEROL, ...
Authors:Maita, N., Sugawara, A., Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2015-07-08
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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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH MACROLIDE INHIBITOR 32
Descriptor:Chitinase B, (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, GLYCEROL
Authors:Maita, N., Sugawara, A., Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2015-07-08
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
4Z2L
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SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH MACROLIDE INHIBITOR 33
Descriptor:Chitinase B, (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, GLYCEROL, ...
Authors:Maita, N., Sugawara, A., Sunazuka, T.
Deposit date:2015-03-30
Release date:2015-07-01
Last modified:2015-07-08
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