Author results

1TP7
  • Download 1tp7
  • View 1tp7
Molmil generated image of 1tp7
CRYSTAL STRUCTURE OF THE RNA-DEPENDENT RNA POLYMERASE FROM HUMAN RHINOVIRUS 16
Descriptor:Genome polyprotein, SULFATE ION, 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
Authors:Appleby, T.C., Luecke, H., Shim, J.H., Wu, J.Z., Cheney, I.W., Zhong, W., Vogeley, L., Hong, Z., Yao, N.
Deposit date:2004-06-15
Release date:2005-06-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of complete rhinovirus RNA polymerase suggests front loading of protein primer.
J.Virol., 79, 2005
1XRJ
  • Download 1xrj
  • View 1xrj
Molmil generated image of 1xrj
RAPID STRUCTURE DETERMINATION OF HUMAN URIDINE-CYTIDINE KINASE 2 USING A CONVENTIONAL LABORATORY X-RAY SOURCE AND A SINGLE SAMARIUM DERIVATIVE
Descriptor:Uridine-cytidine kinase 2, MAGNESIUM ION, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Appleby, T.C., Larson, G., Wu, J.Z., Cheney, I.W., Hong, Z., Yao, N.
Deposit date:2004-10-14
Release date:2005-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human uridine-cytidine kinase 2 determined by SIRAS using a rotating-anode X-ray generator and a single samarium derivative.
Acta Crystallogr.,Sect.D, 61, 2005
5GMZ
  • Download 5gmz
  • View 5gmz
Molmil generated image of 5gmz
HEPATITIS B VIRUS CORE PROTEIN Y132A MUTANT IN COMPLEX WITH 4-METHYL HETEROARYLDIHYDROPYRIMIDINE
Descriptor:Core protein, ISOPROPYL ALCOHOL, (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, ...
Authors:Xu, Z.H., Zhou, Z.
Deposit date:2016-07-18
Release date:2016-08-10
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
2HWH
  • Download 2hwh
  • View 2hwh
Molmil generated image of 2hwh
HCV NS5B ALLOSTERIC INHIBITOR COMPLEX
Descriptor:RNA-directed RNA polymerase (NS5B) (p68), 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE
Authors:Yao, N.
Deposit date:2006-08-01
Release date:2006-11-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HWI
  • Download 2hwi
  • View 2hwi
Molmil generated image of 2hwi
HCV NS5B ALLOSTERIC INHIBITOR COMPLEX
Descriptor:RNA-directed RNA polymerase (NS5B) (p68), (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID
Authors:Yao, N.
Deposit date:2006-08-01
Release date:2006-11-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2I1R
  • Download 2i1r
  • View 2i1r
Molmil generated image of 2i1r
NOVEL THIAZOLONES AS HCV NS5B POLYMERASE INHIBITORS: FURTHER DESIGNS, SYNTHESIS, SAR AND X-RAY COMPLEX STRUCTURE
Descriptor:RNA-directed RNA polymerase (NS5B) (P68), (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE
Authors:Yao, N., Yan, S.
Deposit date:2006-08-14
Release date:2006-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure.
Bioorg.Med.Chem.Lett., 17, 2007
2IJN
  • Download 2ijn
  • View 2ijn
Molmil generated image of 2ijn
ISOTHIAZOLES AS ACTIVE-SITE INHIBITORS OF HCV NS5B POLYMERASE
Descriptor:RNA polymerase NS5B, (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE
Authors:Yan, S., Yao, N.
Deposit date:2006-09-29
Release date:2006-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isothiazoles as active-site inhibitors of HCV NS5B polymerase
Bioorg.Med.Chem.Lett., 17, 2007
2O5D
  • Download 2o5d
  • View 2o5d
Molmil generated image of 2o5d
THIAZOLONE-ACYLSULFONAMIDES AS NOVEL HCV NS5B POLYMERASE ALLOSTERIC INHIBITORS: CONVERGENCE OF STRUCTURE-BASED DRUG DESIGN AND X-RAY CRYSTALLOGRAPHIC STUDY
Descriptor:HCV, (2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)-2-(4-FLUOROPHENYL)-N-[(4-NITROPHENYL)SULFONYL]ACETAMIDE
Authors:Yao, N.
Deposit date:2006-12-05
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study.
Bioorg.Med.Chem.Lett., 17, 2007
2OBJ
  • Download 2obj
  • View 2obj
Molmil generated image of 2obj
CRYSTAL STRUCTURE OF HUMAN PIM-1 KINASE IN COMPLEX WITH INHIBITOR
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
Authors:Yao, N., Cheney, I.W., Yan, S.
Deposit date:2006-12-19
Release date:2007-02-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification and structure-activity relationships of substituted pyridones as inhibitors of Pim-1 kinase.
Bioorg.Med.Chem.Lett., 17, 2007
3RT0
  • Download 3rt0
  • View 3rt0
Molmil generated image of 3rt0
CRYSTAL STRUCTURE OF PYL10-HAB1 COMPLEX IN THE ABSENCE OF ABSCISIC ACID (ABA)
Descriptor:Protein phosphatase 2C 16, Abscisic acid receptor PYL10, MAGNESIUM ION
Authors:Hao, Q., Yin, P., Li, W., Wang, L., Yan, C., Wang, J., Yan, N.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
3RT2
  • Download 3rt2
  • View 3rt2
Molmil generated image of 3rt2
CRYSTAL STRUCTURE OF APO-PYL10
Descriptor:Abscisic acid receptor PYL10
Authors:Hao, Q., Yin, P., Li, W., Wang, L., Yan, C., Wang, J., Yan, N.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011