Author results

4DQM
  • Download 4dqm
  • View 4dqm
Molmil generated image of 4dqm
REVEALING A MARINE NATURAL PRODUCT AS A NOVEL AGONIST FOR RETINOIC ACID RECEPTORS WITH A UNIQUE BINDING MODE AND ANTITUMOR ACTIVITY
分子名称:Retinoic acid receptor alpha, Nuclear receptor coactivator 1, (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one
著者Wang, S., Wang, Z., Lin, S., Zheng, W., Wang, R., Jin, S., Chen, J., Jin, L., Li, Y.
登録日2012-02-16
公開日2012-10-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
6JAK
  • Download 6jak
  • View 6jak
Molmil generated image of 6jak
OTSA APO STRUCTURE
分子名称:Trehalose-6-phosphate synthase
著者Wang, S., Zhao, Y., Wang, D., Liu, J.
登録日2019-01-24
公開日2019-12-04
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
6JBI
  • Download 6jbi
  • View 6jbi
Molmil generated image of 6jbi
STRUCTURE OF TPS1 APO STRUCTURE
分子名称:Trehalose-6-phosphate synthase
著者Wang, S., Zhao, Y., Yi, L., Wang, D., Liu, J.
登録日2019-01-25
公開日2019-12-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
6JBR
  • Download 6jbr
  • View 6jbr
Molmil generated image of 6jbr
TPS1/UDP/T6P COMPLEX
分子名称:Trehalose-6-phosphate synthase, Trehalose-6-phosphate, URIDINE-5'-DIPHOSPHATE
著者Wang, S., Zhao, Y., Wang, D., Liu, J.
登録日2019-01-26
公開日2019-12-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
6JBW
  • Download 6jbw
  • View 6jbw
Molmil generated image of 6jbw
STRUCTURE OF TPS1/UDP COMPLEX
分子名称:Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE
著者Wang, S., Zhao, Y., Wang, D., Liu, J.
登録日2019-01-26
公開日2019-12-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
1D2A
  • Download 1d2a
  • View 1d2a
Molmil generated image of 1d2a
CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE ACTIVATOR ADENINE
分子名称:TYROSINE PHOSPHATASE, PHOSPHATE ION, CHLORIDE ION, ...
著者Wang, S., Stauffacher, C.V., Van Etten, R.L.
登録日1999-09-22
公開日2000-03-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and mechanistic basis for the activation of a low-molecular weight protein tyrosine phosphatase by adenine.
Biochemistry, 39, 2000
1PXM
  • Download 1pxm
  • View 1pxm
Molmil generated image of 1pxm
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
分子名称:Cell division protein kinase 2, 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
著者Wang, S., Meades, C., Wood, G., Osnowski, A., Anderson, S., Yuill, R., Thomas, M., Jackson, W., Midgley, C., Griffiths, G., McNae, I., Wu, S.Y., McInnes, C., Zheleva, D., Walkinshaw, M.D., Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXN
  • Download 1pxn
  • View 1pxn
Molmil generated image of 1pxn
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
分子名称:Cell division protein kinase 2, 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
著者Wang, S., Meades, C., Wood, G., Osnowski, A., Anderson, S., Yuill, R., Thomas, M., Mezna, M., Jackson, W., Midgley, C., Griffiths, G., McNae, I., Wu, S.Y., McInnes, C., Zheleva, D., Walkinshaw, M.D., Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXO
  • Download 1pxo
  • View 1pxo
Molmil generated image of 1pxo
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
分子名称:Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
著者Wang, S., Meades, C., Wood, G., Osnowski, A., Anderson, S., Yuill, R., Thomas, M., Mezna, M., Jackson, W., Midgley, C., Griffiths, G., McNae, I., Wu, S.Y., McInnes, C., Zheleva, D., Walkinshaw, M.D., Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXP
  • Download 1pxp
  • View 1pxp
Molmil generated image of 1pxp
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
分子名称:Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
著者Wang, S., Meades, C., Wood, G., Osnowski, A., Anderson, S., Yuill, R., Thomas, M., Mezna, M., Jackson, W., Midgley, C., Griffiths, G., McNae, I., Wu, S.Y., McInnes, C., Zheleva, D., Walkinshaw, M.D., Fischer, P.M.
登録日2003-07-04
公開日2004-04-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1D1P
  • Download 1d1p
  • View 1d1p
Molmil generated image of 1d1p
CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1)
分子名称:TYROSINE PHOSPHATASE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
著者Wang, S., Tabernero, L., Zhang, M., Harms, E., Van Etten, R.L., Stauffacher, C.V.
登録日1999-09-20
公開日2000-03-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate.
Biochemistry, 39, 2000
1D1Q
  • Download 1d1q
  • View 1d1q
Molmil generated image of 1d1q
CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP
分子名称:TYROSINE PHOSPHATASE (E.C.3.1.3.48), 4-NITROPHENYL PHOSPHATE, PHOSPHATE ION, ...
著者Wang, S., Tabernero, L., Zhang, M., Harms, E., Van Etten, R.L., Staufacher, C.V.
登録日1999-09-20
公開日2000-03-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate.
Biochemistry, 39, 2000
2A7X
  • Download 2a7x
  • View 2a7x
Molmil generated image of 2a7x
CRYSTAL STRUCTURE OF A PANTOTHENATE SYNTHETASE COMPLEXED WITH AMP
分子名称:Pantoate-beta-alanine ligase, SULFATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Wang, S., Eisenberg, D., TB Structural Genomics Consortium (TBSGC)
登録日2005-07-06
公開日2006-02-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
2A84
  • Download 2a84
  • View 2a84
Molmil generated image of 2a84
CRYSTAL STRUCTURE OF A PANTOTHENATE SYNTHETASE COMPLEXED WITH ATP
分子名称:Pantoate--beta-alanine ligase, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Wang, S., Eisenberg, D., TB Structural Genomics Consortium (TBSGC)
登録日2005-07-07
公開日2006-02-21
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
2A86
  • Download 2a86
  • View 2a86
Molmil generated image of 2a86
CRYSTAL STRUCTURE OF A PANTOTHENATE SYNTHETASE COMPLEXED WITH AMP AND BETA-ALANINE
分子名称:Pantoate--beta-alanine ligase, SULFATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Wang, S., Eisenberg, D., TB Structural Genomics Consortium (TBSGC)
登録日2005-07-07
公開日2006-02-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
2A88
  • Download 2a88
  • View 2a88
Molmil generated image of 2a88
CRYSTAL STRUCTURE OF A PANTOTHENATE SYNTHETASE, APO ENZYME IN C2 SPACE GROUP
分子名称:Pantoate--beta-alanine ligase, SULFATE ION, GLYCEROL
著者Wang, S., Eisenberg, D., TB Structural Genomics Consortium (TBSGC)
登録日2005-07-07
公開日2006-02-21
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
2ML7
  • Download 2ml7
  • View 2ml7
Molmil generated image of 2ml7
GINSENTIDES: CHARACTERIZATION, STRUCTURE AND APPLICATION OF A NEW CLASS OF HIGHLY STABLE CYSTINE KNOT PEPTIDES IN GINSENG
分子名称:Specific abundant protein 3
著者Wang, S., Nguyen, K., Luo, S., Tam, J., Yang, D.
登録日2014-02-20
公開日2015-03-04
実験手法SOLUTION NMR
主引用文献Ginsentides: Characterization, Structure and Application of a New Class of Highly Stable Cystine Knot Peptides in Ginseng
To be Published
3LC3
  • Download 3lc3
  • View 3lc3
Molmil generated image of 3lc3
BENZOTHIOPHENE INHIBITORS OF FACTOR IXA
分子名称:Coagulation factor IX, 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION
著者Wang, S., Beck, R.
登録日2010-01-09
公開日2010-02-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Studies of Benzothiophene Template as Potent Factor IXa (FIXa) Inhibitors in Thrombosis.
J.Med.Chem., 53, 2010
3LC5
  • Download 3lc5
  • View 3lc5
Molmil generated image of 3lc5
SELECTIVE BENZOTHIOPHINE INHIBITORS OF FACTOR IXA
分子名称:Coagulation factor IX, CALCIUM ION, 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine
著者Wang, S., Beck, R.
登録日2010-01-09
公開日2010-02-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure Based Drug Design: Development of Potent and Selective Factor IXa (FIXa) Inhibitors.
J.Med.Chem., 53, 2010
3WAE
  • Download 3wae
  • View 3wae
Molmil generated image of 3wae
X-RAY STRUCTURE OF FE(III)-BICARBONATES-TTFBPA, A FERRIC ION-BINDING PROTEIN FROM THERMUS THERMOPHILUS HB8
分子名称:IRON ABC TRANSPORTER, PERIPLASMIC IRON-BINDING PROTEIN, FE (III) ION, ...
著者Wang, S., Ogata, M., Horita, S., Ohtsuka, J., Nagata, K., Tanokura, M.
登録日2013-05-02
公開日2014-05-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A novel mode of ferric ion coordination by the periplasmic ferric ion-binding subunit FbpA of an ABC-type iron transporter from Thermus thermophilus HB8.
Acta Crystallogr.,Sect.D, 70, 2014
3WAF
  • Download 3waf
  • View 3waf
Molmil generated image of 3waf
X-RAY STRUCTURE OF APO-TTFBPA, A FERRIC ION-BINDING PROTEIN FROM THERMUS THERMOPHILUS HB8
分子名称:Iron ABC transporter, periplasmic iron-binding protein, ISOPROPYL ALCOHOL
著者Wang, S., Ogata, M., Horita, S., Ohtsuka, J., Nagata, K., Tanokura, M.
登録日2013-05-02
公開日2014-05-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel mode of ferric ion coordination by the periplasmic ferric ion-binding subunit FbpA of an ABC-type iron transporter from Thermus thermophilus HB8.
Acta Crystallogr.,Sect.D, 70, 2014
4Y62
  • Download 4y62
  • View 4y62
Molmil generated image of 4y62
AAGLYB IN COMPLEX WITH AMINO-ACID ANALOGUES
分子名称:Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside, 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine
著者Wang, S., Cuesta-Seijo, J.A., Striebeck, A., Lafont, D., Palcic, M.M., Vidal, S.
登録日2015-02-12
公開日2015-09-16
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
4Y63
  • Download 4y63
  • View 4y63
Molmil generated image of 4y63
AAGLYB IN COMPLEX WITH AMINO-ACID ANALOGUES
分子名称:Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside, 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, ...
著者Wang, S., Cuesta-Seijo, J.A., Striebeck, A., Lafont, D., Palcic, M.M., Vidal, S.
登録日2015-02-12
公開日2015-09-16
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
4Y64
  • Download 4y64
  • View 4y64
Molmil generated image of 4y64
AAGLYB IN COMPLEX WITH AMINO-ACID ANALOGUES
分子名称:Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside, 5'-(D-alanylamino)-5'-deoxyuridine
著者Wang, S., Cuesta-Seijo, J.A., Striebeck, A., Lafont, D., Palcic, M.M., Vidal, S.
登録日2015-02-12
公開日2015-09-16
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
6A30
  • Download 6a30
  • View 6a30
Molmil generated image of 6a30
CRYSTAL STRUCTURE OF MUNC13-1 MUN DOMAIN AND SYNAPTOBREVIN-2 JUXTAMEMBRANE LINKER REGION
分子名称:Protein unc-13 homolog A, Synaptobrevin-2 juxtamembrane linker peptide
著者Wang, S., Li, Y., Gong, J.H., Ye, S., Yang, X.F., Zhang, R.G., Ma, C.
登録日2018-06-14
公開日2019-01-30
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Munc18 and Munc13 serve as a functional template to orchestrate neuronal SNARE complex assembly.
Nat Commun, 10, 2019