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5ZZ4
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CRYSTAL STRUCTURE OF BRUTON'S TYROSINE KINASE IN COMPLEX WITH INHIBITOR 2E
Descriptor:Tyrosine-protein kinase BTK, N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
Authors:Kawahata, W., Asami, T., Irie, T., Kiyoi, T., Taniguchi, H., Asamitsu, Y., Inoue, T., Miyake, T., Sawa, M.
Deposit date:2018-05-30
Release date:2018-09-26
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment of Rheumatoid Arthritis.
J. Med. Chem., 61, 2018
5DGQ
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CRYSTAL STRUCTURE OF GH9 EXO-BETA-D-GLUCOSAMINIDASE PBPRA0520
Descriptor:Putative endoglucanase-related protein, SODIUM ION
Authors:Suzuki, K., Honda, Y., Fushinobu, S.
Deposit date:2015-08-28
Release date:2015-12-09
Last modified:2016-04-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of an inverting glycoside hydrolase family 9 exo-beta-D-glucosaminidase and the design of glycosynthase.
Biochem.J., 473, 2016
5DGR
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CRYSTAL STRUCTURE OF GH9 EXO-BETA-D-GLUCOSAMINIDASE PBPRA0520, GLUCOSAMINE COMPLEX
Descriptor:Putative endoglucanase-related protein, SODIUM ION, D-GLUCOSAMINE
Authors:Suzuki, K., Honda, Y., Fushinobu, S.
Deposit date:2015-08-28
Release date:2015-12-09
Last modified:2016-04-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of an inverting glycoside hydrolase family 9 exo-beta-D-glucosaminidase and the design of glycosynthase.
Biochem.J., 473, 2016
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
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
3W81
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HUMAN ALPHA-L-IDURONIDASE
Descriptor:Alpha-L-iduronidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Maita, N., Tsukimura, T., Taniguchi, T., Saito, S., Ohno, K., Taniguchi, H., Sakuraba, H.
Deposit date:2013-03-11
Release date:2013-08-21
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human alpha-L-iduronidase uses its own N-glycan as a substrate-binding and catalytic module
Proc.Natl.Acad.Sci.USA, 110, 2013
3W82
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HUMAN ALPHA-L-IDURONIDASE IN COMPLEX WITH IDURONIC ACID
Descriptor:Alpha-L-iduronidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Maita, N., Tsukimura, T., Taniguchi, T., Saito, S., Ohno, K., Taniguchi, H., Sakuraba, H.
Deposit date:2013-03-11
Release date:2013-08-21
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Human alpha-L-iduronidase uses its own N-glycan as a substrate-binding and catalytic module
Proc.Natl.Acad.Sci.USA, 110, 2013
3A8I
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CRYSTAL STRUCTURE OF ET-EHRED-5-CH3-THF COMPLEX
Descriptor:Aminomethyltransferase, Glycine cleavage system H protein, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, ...
Authors:Okamura-Ikeda, K., Hosaka, H.
Deposit date:2009-10-06
Release date:2010-04-07
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism
J.Biol.Chem., 285, 2010
3A8J
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CRYSTAL STRUCTURE OF ET-EHRED COMPLEX
Descriptor:Aminomethyltransferase, Glycine cleavage system H protein
Authors:Okamura-Ikeda, K., Hosaka, H.
Deposit date:2009-10-06
Release date:2010-04-07
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism
J.Biol.Chem., 285, 2010
3A8K
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CRYSTAL STRUCTURE OF ETD97N-EHRED COMPLEX
Descriptor:Aminomethyltransferase, Glycine cleavage system H protein
Authors:Okamura-Ikeda, K., Hosaka, H.
Deposit date:2009-10-06
Release date:2010-04-07
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism
J.Biol.Chem., 285, 2010
3AB9
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CRYSTAL STRUCTURE OF LIPOYLATED E. COLI H-PROTEIN (REDUCED FORM)
Descriptor:Glycine cleavage system H protein, CALCIUM ION, CHLORIDE ION
Authors:Okamura-Ikeda, K., Maita, N.
Deposit date:2009-12-04
Release date:2010-04-07
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism
J.Biol.Chem., 285, 2010
3A7A
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CRYSTAL STRUCTURE OF E. COLI LIPOATE-PROTEIN LIGASE A IN COMPLEX WITH OCTYL-AMP AND APOH-PROTEIN
Descriptor:Lipoate-protein ligase A, Glycine cleavage system H protein, N-OCTANE, ...
Authors:Fujiwara, K., Hosaka, H., Nakagawa, A.
Deposit date:2009-09-20
Release date:2010-01-19
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A.
J.Biol.Chem., 285, 2010
3A7L
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CRYSTAL STRUCTURE OF E. COLI APOH-PROTEIN
Descriptor:Glycine cleavage system H protein
Authors:Fujiwara, K., Maita, N.
Deposit date:2009-09-28
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A.
J.Biol.Chem., 285, 2010
3A7R
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CRYSTAL STRUCTURE OF E. COLI LIPOATE-PROTEIN LIGASE A IN COMPLEX WITH LIPOYL-AMP.
Descriptor:Lipoate-protein ligase A, 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, SULFATE ION, ...
Authors:Fujiwara, K., Hosaka, H.
Deposit date:2009-10-01
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A.
J.Biol.Chem., 285, 2010
3A7U
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CRYSTAL STRUCTURE OF THE BOVINE LIPOYLTRANSFERASE IN ITS UNLIGANDED FORM
Descriptor:Lipoyltransferase 1, mitochondrial
Authors:Fujiwara, K., Hosaka, H., Nakagawa, A.
Deposit date:2009-10-05
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A.
J.Biol.Chem., 285, 2010
3A3V
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CRYSTAL STRUCTURE OF REDUCING-END-XYLOSE RELEASING EXO-OLIGOXYLANASE Y198F MUTANT
Descriptor:Xylanase Y, NICKEL (II) ION, GLYCEROL
Authors:Hidaka, M., Fushinobu, S., Honda, Y., Kitaoka, M.
Deposit date:2009-06-22
Release date:2009-11-03
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural explanation for the acquisition of glycosynthase activity
J.Biochem., 147, 2010
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