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1R35
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MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE
分子名称:Nitric oxide synthase, inducible, SULFATE ION, ...
著者Shieh, H.S., Stevens, A.M., Stallings, W.C.
登録日2003-09-30
公開日2004-10-05
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献4-Fluorinated L-lysine analogs as selective i-NOS inhibitors: methodology for introducing fluorine into the lysine side chain.
Org.Biomol.Chem., 1, 2003
4DD8
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ADAM-8 METALLOPROTEINASE DOMAIN WITH BOUND BATIMASTAT
分子名称:Disintegrin and metalloproteinase domain-containing protein 8, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, ...
著者Hall, T., Shieh, H.S., Day, J.E., Caspers, N., Chrencik, J.E., Williams, J.M., Pegg, L.E., Pauley, A.M., Moon, A.F., Krahn, J.M., Fischer, D.H., Kiefer, J.R., Tomasselli, A.G., Zack, M.D.
登録日2012-01-18
公開日2012-06-06
最終更新日2012-06-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of human ADAM-8 catalytic domain complexed with batimastat.
Acta Crystallogr.,Sect.F, 68, 2012
1CMV
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HUMAN CYTOMEGALOVIRUS PROTEASE
分子名称:HUMAN CYTOMEGALOVIRUS PROTEASE
著者Shieh, H.-S., Kurumbail, R.G., Stevens, A.M., Stegeman, R.A., Sturman, E.J., Pak, J.Y., Wittwer, A.J., Palmier, M.O., Wiegand, R.C., Holwerda, B.C., Stallings, W.C.
登録日1996-08-26
公開日1997-09-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Three-dimensional structure of human cytomegalovirus protease.
Nature, 383, 1996
3B8Z
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HIGH RESOLUTION CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF ADAMTS-5 (AGGRECANASE-2)
分子名称:protein ADAMTS-5, ZINC ION, CALCIUM ION, ...
著者Shieh, H.-S., Williams, J.M., Mathis, K.J., Tortorella, M.D., Tomasselli, A.
登録日2007-11-02
公開日2007-12-11
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High resolution crystal structure of the catalytic domain of ADAMTS-5 (aggrecanase-2).
J.Biol.Chem., 283, 2008
3LJT
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF ADAMTS-5 IN COMPLEX WITH AN AMINO-2-INDANOL COMPOUND
分子名称:A disintegrin and metalloproteinase with thrombospondin motifs 5, (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, 1,2-ETHANEDIOL, ...
著者Shieh, H.-S., Williams, J.M., Caspers, N.
登録日2010-01-26
公開日2010-03-31
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure analysis reveals the flexibility of the ADAMTS-5 active site.
Protein Sci., 20, 2011
3LJZ
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CRYSTAL STRUCTURE OF HUMAN MMP-13 COMPLEXED WITH AN AMINO-2-INDANOL COMPOUND
分子名称:Collagenase 3, CALCIUM ION, ZINC ION, ...
著者Shieh, H.-S., Kiefer, J.R.
登録日2010-01-26
公開日2011-02-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure analysis reveals the flexibility of the ADAMTS-5 active site.
Protein Sci., 20, 2011
1EPS
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STRUCTURE AND TOPOLOGICAL SYMMETRY OF THE GLYPHOSPHATE 5-ENOL-PYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE: A DISTINCTIVE PROTEIN FOLD
分子名称:5-ENOL-PYRUVYL-3-PHOSPHATE SYNTHASE
著者Stallings, W.C., Abdel-Meguid, S.S., Lim, L.W., Shieh, H.-S., Dayringer, H.E., Leimgruber, N.K., Stegeman, R.A., Anderson, K.S., Sikorski, J.A., Padgette, S.R., Kishore, G.M.
登録日1991-04-05
公開日1993-07-15
最終更新日2013-01-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and topological symmetry of the glyphosate target 5-enolpyruvylshikimate-3-phosphate synthase: a distinctive protein fold.
Proc.Natl.Acad.Sci.USA, 88, 1991
3HL7
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CRYSTAL STRUCTURE OF HUMAN P38ALPHA COMPLEXED WITH SD-0006
分子名称:Mitogen-activated protein kinase 14, 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
著者Shieh, H.-S., Kurumbail, R.G., Stegeman, R.A., Williams, J.M.
登録日2009-05-26
公開日2009-07-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804.
Biochemistry, 48, 2009
3HLL
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CRYSTAL STRUCTURE OF HUMAN P38ALPHA COMPLEXED WITH PH-797804
分子名称:Mitogen-activated protein kinase 14, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, ...
著者Shieh, H.-S., Williams, J.M., Stegeman, R.A., Kurumbail, R.G.
登録日2009-05-27
公開日2009-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804.
Biochemistry, 48, 2009
3HY7
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF ADAMTS-5 IN COMPLEX WITH MARIMASTAT
分子名称:A disintegrin and metalloproteinase with thrombospondin motifs 5, (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ZINC ION, ...
著者Shieh, H.-S., Williams, J.M., Caspers, N., Mathis, K.J., Tortorella, M.D., Tomasselli, A.
登録日2009-06-22
公開日2009-07-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors
J.Biol.Chem., 284, 2009
3HY9
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF ADAMTS-5 IN COMPLEX WITH AN AMINO-2-INDANOL COMPOUND
分子名称:Catalytic Domain of ADAMTS-5, ZINC ION, CALCIUM ION, ...
著者Shieh, H.-S., Williams, J.M., Caspers, N., Mathis, K.J., Tortorella, M.D., Tomasselli, A.
登録日2009-06-22
公開日2009-07-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors
J.Biol.Chem., 284, 2009
3HYG
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF ADAMTS-5 IN COMPLEX WITH AN AMINO-2-INDANOL COMPOUND
分子名称:A disintegrin and metalloproteinase with thrombospondin motifs 5, ZINC ION, CALCIUM ION, ...
著者Shieh, H.-S., Williams, J.M., Caspers, N., Mathis, K.J., Tortorella, M.D., Tomasselli, A.
登録日2009-06-22
公開日2009-07-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors
J.Biol.Chem., 284, 2009
3KEC
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CRYSTAL STRUCTURE OF HUMAN MMP-13 COMPLEXED WITH A PHENYL-2H-TETRAZOLE COMPOUND
分子名称:Collagenase 3, ZINC ION, CALCIUM ION, ...
著者Shieh, H.-S., Pavlovsky, A.G., Collins, B., Schnute, M.E.
登録日2009-10-25
公開日2010-11-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010
3KEJ
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CRYSTAL STRUCTURE OF HUMAN MMP-13 COMPLEXED WITH A (PYRIDIN-4-YL)-2H-TETRAZOLE COMPOUND
分子名称:Collagenase 3, ZINC ION, CALCIUM ION, ...
著者Shieh, H.-S., Collins, B., Schnute, M.E.
登録日2009-10-26
公開日2010-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010
3KEK
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CRYSTAL STRUCTURE OF HUMAN MMP-13 COMPLEXED WITH A (PYRIDIN-4-YL)-2H-TETRAZOLE COMPOUND
分子名称:Collagenase 3, ZINC ION, CALCIUM ION, ...
著者Shieh, H.-S., Collins, B., Schnute, M.E.
登録日2009-10-26
公開日2010-11-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2009
3KF7
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CRYSTAL STRUCTURE OF HUMAN P38ALPHA COMPLEXED WITH A TRIAZOLOPYRIMIDINE COMPOUND
分子名称:Mitogen-activated protein kinase 14, 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide
著者Shieh, H.-S., Williams, J.M., Stegeman, R.A., Xing, L., Jerome, K.D.
登録日2009-10-27
公開日2009-12-29
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Continued exploration of the triazolopyridine scaffold as a platform for p38 MAP kinase inhibition.
Bioorg.Med.Chem.Lett., 20, 2010