Author results

1OAV
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OMEGA-AGATOXIN IVA
Descriptor:OMEGA-AGATOXIN IVA
Authors:Kim, J.I., Konishi, S., Iwai, H., Kohno, T., Gouda, H., Shimada, I., Sato, K., Arata, Y.
Deposit date:1995-06-28
Release date:1995-10-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the calcium channel antagonist omega-agatoxin IVA: consensus molecular folding of calcium channel blockers.
J.Mol.Biol., 250, 1995
1OAW
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OMEGA-AGATOXIN IVA
Descriptor:OMEGA-AGATOXIN IVA
Authors:Kim, J.I., Konishi, S., Iwai, H., Kohno, T., Gouda, H., Shimada, I., Sato, K., Arata, Y.
Deposit date:1995-06-28
Release date:1995-10-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the calcium channel antagonist omega-agatoxin IVA: consensus molecular folding of calcium channel blockers.
J.Mol.Biol., 250, 1995
1BDC
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STAPHYLOCOCCUS AUREUS PROTEIN A, IMMUNOGLOBULIN-BINDING B DOMAIN, NMR, 10 STRUCTURES
Descriptor:STAPHYLOCOCCUS AUREUS PROTEIN A
Authors:Gouda, H., Torigoe, H., Saito, A., Sato, M., Arata, Y., Shimada, I.
Deposit date:1996-06-28
Release date:1997-01-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures.
Biochemistry, 31, 1992
1BDD
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STAPHYLOCOCCUS AUREUS PROTEIN A, IMMUNOGLOBULIN-BINDING B DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor:STAPHYLOCOCCUS AUREUS PROTEIN A
Authors:Gouda, H., Torigoe, H., Saito, A., Sato, M., Arata, Y., Shimada, I.
Deposit date:1996-06-28
Release date:1997-01-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures.
Biochemistry, 31, 1992
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
4XZY
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE 11 (DPP11) FROM PORPHYROMONAS GINGIVALIS
Descriptor:Peptidase S46, GLYCEROL
Authors:Sakamoto, Y., Suzuki, Y., Iizuka, I., Tateoka, C., Roppongi, S., Fujimoto, M., Nonaka, T., Ogasawara, W., Tanaka, N.
Deposit date:2015-02-05
Release date:2015-07-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity.
Sci Rep, 5, 2015
4Y01
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE 11 (DPP11) FROM PORPHYROMONAS GINGIVALIS
Descriptor:Peptidase S46, GLYCEROL
Authors:Sakamoto, Y., Suzuki, Y., Iizuka, I., Tateoka, C., Roppongi, S., Fujimoto, M., Nonaka, T., Ogasawara, W., Tanaka, N.
Deposit date:2015-02-05
Release date:2015-07-15
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity.
Sci Rep, 5, 2015
4Y02
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE 11 (DPP11) FROM PORPHYROMONAS GINGIVALIS (GROUND)
Descriptor:Peptidase S46, GLYCEROL, POTASSIUM ION
Authors:Sakamoto, Y., Suzuki, Y., Iizuka, I., Tateoka, C., Roppongi, S., Fujimoto, M., Nonaka, T., Ogasawara, W., Tanaka, N.
Deposit date:2015-02-05
Release date:2015-07-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity.
Sci Rep, 5, 2015
4Y04
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE 11 (DPP11) FROM PORPHYROMONAS GINGIVALIS (SPACE)
Descriptor:Peptidase S46, POTASSIUM ION, GLYCEROL
Authors:Sakamoto, Y., Suzuki, Y., Iizuka, I., Tateoka, C., Roppongi, S., Fujimoto, M., Inaka, K., Tanaka, H., Yamada, M., Ohta, K., Nonaka, T., Ogasawara, W., Tanaka, N.
Deposit date:2015-02-05
Release date:2015-07-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity.
Sci Rep, 5, 2015
4Y06
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CRYSTAL STRUCTURE OF THE DAP BII (G675R) DIPEPTIDE COMPLEX
Descriptor:Dipeptidyl aminopeptidase BII, LEUCINE, GLUTAMIC ACID, ...
Authors:Sakamoto, Y., Iizuka, I., Tateoka, C., Roppongi, S., Fujimoto, M., Nonaka, T., Ogasawara, W., Tanaka, N.
Deposit date:2015-02-05
Release date:2015-07-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity.
Sci Rep, 5, 2015
5X2L
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CRYSTAL STRUCTURE OF HUMAN SERINE RACEMASE
Descriptor:Serine racemase, PYRIDOXAL-5'-PHOSPHATE, MAGNESIUM ION
Authors:Obita, T., Matsumoto, K., Mori, H., Toyooka, N., Mizuguchi, M.
Deposit date:2017-02-01
Release date:2018-01-31
Method:X-RAY DIFFRACTION (1.806 Å)
Cite:Design, synthesis, and evaluation of novel inhibitors for wild-type human serine racemase.
Bioorg. Med. Chem. Lett., 2017
6D5K
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STRUCTURE OF HUMAN ATP:COBALAMIN ADENOSYLTRANSFERASE BOUND TO ATP, AND ADENOSYLCOBALAMIN
Descriptor:Cob(I)yrinic acid a,c-diamide adenosyltransferase, mitochondrial, 5'-DEOXYADENOSINE, ...
Authors:Dodge, G.J., Campanello, G., Smith, J.L., Banerjee, R.
Deposit date:2018-04-19
Release date:2018-10-10
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
6D5X
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STRUCTURE OF HUMAN ATP:COBALAMIN ADENOSYLTRANSFERASE BOUND TO ATP, ADENOSYLCOBALAMIN, AND TRIPHOSPHATE
Descriptor:Cob(I)yrinic acid a,c-diamide adenosyltransferase, mitochondrial, 5'-DEOXYADENOSINE, ...
Authors:Dodge, G.J., Campanello, G., Smith, J.L., Banerjee, R.
Deposit date:2018-04-19
Release date:2018-10-10
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
6JTB
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE 11 (DPP11) WITH CITRATE FROM PORPHYROMONAS GINGIVALIS (SPACE)
Descriptor:Asp/Glu-specific dipeptidyl-peptidase, DI(HYDROXYETHYL)ETHER, CITRIC ACID, ...
Authors:Sakamoto, Y., Suzuki, Y., Iizuka, I., Roppongi, S., Kushibiki, C., Nakamura, A., Ogasawara, W., Tanaka, N.
Deposit date:2019-04-10
Release date:2019-10-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019
6JTC
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE 11 (DPP11) WITH SH-5 FROM PORPHYROMONAS GINGIVALIS (SPACE)
Descriptor:Asp/Glu-specific dipeptidyl-peptidase, GLYCEROL, 2-(2-azanylethylamino)-5-nitro-benzoic acid
Authors:Sakamoto, Y., Suzuki, Y., Iizuka, I., Roppongi, S., Kushibiki, C., Nakamura, A., Ogasawara, W., Tanaka, N.
Deposit date:2019-04-10
Release date:2019-10-02
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019
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