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
Descriptor: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
Authors:Wang, S., Wang, Z., Lin, S., Zheng, W., Wang, R., Jin, S., Chen, J., Jin, L., Li, Y.
Deposit date:2012-02-16
Release date:2012-10-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
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
Descriptor:TYROSINE PHOSPHATASE, PHOSPHATE ION, CHLORIDE ION, ...
Authors:Wang, S., Stauffacher, C.V., Van Etten, R.L.
Deposit date:1999-09-22
Release date:2000-03-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor:Cell division protein kinase 2, 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Authors: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.
Deposit date:2003-07-04
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite: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
Descriptor:Cell division protein kinase 2, 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Authors: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.
Deposit date:2003-07-04
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor:Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
Authors: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.
Deposit date:2003-07-04
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor:Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Authors: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.
Deposit date:2003-07-04
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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)
Descriptor:TYROSINE PHOSPHATASE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Wang, S., Tabernero, L., Zhang, M., Harms, E., Van Etten, R.L., Stauffacher, C.V.
Deposit date:1999-09-20
Release date:2000-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor:TYROSINE PHOSPHATASE (E.C.3.1.3.48), 4-NITROPHENYL PHOSPHATE, PHOSPHATE ION, ...
Authors:Wang, S., Tabernero, L., Zhang, M., Harms, E., Van Etten, R.L., Staufacher, C.V.
Deposit date:1999-09-20
Release date:2000-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor:Pantoate-beta-alanine ligase, SULFATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Wang, S., Eisenberg, D., TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-07-06
Release date:2006-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor:Pantoate--beta-alanine ligase, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Wang, S., Eisenberg, D., TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-07-07
Release date:2006-02-21
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor:Pantoate--beta-alanine ligase, SULFATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Wang, S., Eisenberg, D., TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-07-07
Release date:2006-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor:Pantoate--beta-alanine ligase, SULFATE ION, GLYCEROL
Authors:Wang, S., Eisenberg, D., TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-07-07
Release date:2006-02-21
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor:Specific abundant protein 3
Authors:Wang, S., Nguyen, K., Luo, S., Tam, J., Yang, D.
Deposit date:2014-02-20
Release date:2015-03-04
Method:SOLUTION NMR
Cite: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
Descriptor:Coagulation factor IX, 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION
Authors:Wang, S., Beck, R.
Deposit date:2010-01-09
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor:Coagulation factor IX, CALCIUM ION, 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine
Authors:Wang, S., Beck, R.
Deposit date:2010-01-09
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite: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
Descriptor:IRON ABC TRANSPORTER, PERIPLASMIC IRON-BINDING PROTEIN, FE (III) ION, ...
Authors:Wang, S., Ogata, M., Horita, S., Ohtsuka, J., Nagata, K., Tanokura, M.
Deposit date:2013-05-02
Release date:2014-05-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor:Iron ABC transporter, periplasmic iron-binding protein, ISOPROPYL ALCOHOL
Authors:Wang, S., Ogata, M., Horita, S., Ohtsuka, J., Nagata, K., Tanokura, M.
Deposit date:2013-05-02
Release date:2014-05-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: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
Authors:Wang, S., Cuesta-Seijo, J.A., Striebeck, A., Lafont, D., Palcic, M.M., Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: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, ...
Authors:Wang, S., Cuesta-Seijo, J.A., Striebeck, A., Lafont, D., Palcic, M.M., Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor:Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside, 5'-(D-alanylamino)-5'-deoxyuridine
Authors:Wang, S., Cuesta-Seijo, J.A., Striebeck, A., Lafont, D., Palcic, M.M., Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor:Protein unc-13 homolog A, Synaptobrevin-2 juxtamembrane linker peptide
Authors:Wang, S., Li, Y., Gong, J.H., Ye, S., Yang, X.F., Zhang, R.G., Ma, C.
Deposit date:2018-06-14
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:Munc18 and Munc13 serve as a functional template to orchestrate neuronal SNARE complex assembly.
Nat Commun, 10, 2019
2M3G
  • Download 2m3g
  • View 2m3g
Molmil generated image of 2m3g
STRUCTURE OF ANABAENA SENSORY RHODOPSIN DETERMINED BY SOLID STATE NMR SPECTROSCOPY
Descriptor:Anabaena Sensory Rhodopsin, RETINAL
Authors:Wang, S., Munro, R.A., Shi, L., Kawamura, I., Okitsu, T., Wada, A., Kim, S., Jung, K., Brown, L.S., Ladizhansky, V.
Deposit date:2013-01-17
Release date:2013-08-21
Last modified:2015-06-17
Method:SOLID-STATE NMR
Cite:Solid-state NMR spectroscopy structure determination of a lipid-embedded heptahelical membrane protein.
Nat.Methods, 10, 2013
1A8Y
  • Download 1a8y
  • View 1a8y
Molmil generated image of 1a8y
CRYSTAL STRUCTURE OF CALSEQUESTRIN FROM RABBIT SKELETAL MUSCLE SARCOPLASMIC RETICULUM AT 2.4 A RESOLUTION
Descriptor:CALSEQUESTRIN
Authors:Wang, S., Trumble, W.R., Liao, H., Wesson, C.R., Dunker, A.K., Kang, C.
Deposit date:1998-03-31
Release date:1999-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of calsequestrin from rabbit skeletal muscle sarcoplasmic reticulum.
Nat.Struct.Biol., 5, 1998
1JRK
  • Download 1jrk
  • View 1jrk
Molmil generated image of 1jrk
CRYSTAL STRUCTURE OF A NUDIX PROTEIN FROM PYROBACULUM AEROPHILUM REVEALS A DIMER WITH INTERTWINED BETA SHEETS
Descriptor:Nudix homolog, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Wang, S., Mura, C., Sawaya, M.R., Cascio, D., Eisenberg, D.
Deposit date:2001-08-13
Release date:2002-04-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets.
Acta Crystallogr.,Sect.D, 58, 2002
1K26
  • Download 1k26
  • View 1k26
Molmil generated image of 1k26
STRUCTURE OF A NUDIX PROTEIN FROM PYROBACULUM AEROPHILUM SOLVED BY THE SINGLE WAVELENGTH ANOMOLOUS SCATTERING METHOD
Descriptor:NUDIX HOMOLOG, SULFATE ION, IRIDIUM (III) ION, ...
Authors:Wang, S., Mura, C., Sawaya, M.R., Cascio, D., Eisenberg, D.
Deposit date:2001-09-26
Release date:2002-04-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets.
Acta Crystallogr.,Sect.D, 58, 2002