Author results

4EZ5
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CDK6 (MONOMERIC) IN COMPLEX WITH INHIBITOR
分子名称:Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
著者Chopra, R., Xu, M.
登録日2012-05-02
公開日2013-02-06
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
2QU2
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BACE1 WITH COMPOUND 1
分子名称:Beta-secretase 1, N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
著者Chopra, R.
登録日2007-08-03
公開日2008-08-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Thiophene substituted acylguanidines as BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QU3
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BACE1 WITH COMPOUND 2
分子名称:Beta-secretase 1, N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
著者Chopra, R.
登録日2007-08-03
公開日2008-08-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thiophene substituted acylguanidines as BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2ZDZ
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X-RAY STRUCTURE OF BACE-1 IN COMPLEX WITH COMPOUND 3.B.10
分子名称:Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide
著者Chopra, R., Olland, A.
登録日2007-12-04
公開日2008-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
2ZE1
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X-RAY STRUCTURE OF BACE-1 IN COMPLEX WITH COMPOUND 6G
分子名称:Beta-secretase 1, 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
著者Chopra, R., Olland, A.
登録日2007-12-05
公開日2008-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
4TLR
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NS5B IN COMPLEX WITH LACTAM-THIOPHENE CARBOXYLIC ACIDS
分子名称:NS5b, 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
著者Chopra, R.
登録日2014-05-30
公開日2014-12-10
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4TN2
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NS5B IN COMPLEX WITH LACTAM-THIOPHENE CARBOXYLIC ACIDS
分子名称:Genome polyprotein, 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid
著者Chopra, R.
登録日2014-06-02
公開日2014-09-17
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
1RTD
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STRUCTURE OF A CATALYTIC COMPLEX OF HIV-1 REVERSE TRANSCRIPTASE: IMPLICATIONS FOR NUCLEOSIDE ANALOG DRUG RESISTANCE
分子名称:DNA TEMPLATE FOR REVERSE TRANSCRIPTASE, DNA PRIMER FOR REVERSE TRANSCRIPTASE, PROTEIN (REVERSE TRANSCRIPTASE), ...
著者Chopra, R., Huang, H., Verdine, G.L., Harrison, S.C.
登録日1998-08-26
公開日1998-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of a covalently trapped catalytic complex of HIV-1 reverse transcriptase: implications for drug resistance.
Science, 282, 1998
2Q85
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CRYSTAL STRUCTURE OF E. COLI MUR B BOUND TO A NAPHTHYL TETRONIC ACID INIHIBITOR
分子名称:UDP-N-acetylenolpyruvoylglucosamine reductase, (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE, FLAVIN-ADENINE DINUCLEOTIDE
著者Chopra, R., Bard, J., Svenson, K., Mansour, T.
登録日2007-06-08
公開日2007-06-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal Structure of E. Coli Mur B bound to a napthyl tetronic acid inhibitor
TO BE PUBLISHED
2QE2
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STRUCTURE OF HCV NS5B BOUND TO AN ANTHRANILIC ACID INHIBITOR
分子名称:RNA-directed RNA polymerase, 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID
著者Chopra, R., Svenson, K., Bard, J.
登録日2007-06-22
公開日2007-10-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
2QE5
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STRUCTURE OF HCV NS5B BOUND TO AN ANTHRANILIC ACID INHIBITOR
分子名称:RNA-directed RNA polymerase, 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID
著者Chopra, R., Svenson, K., Bard, J.
登録日2007-06-22
公開日2007-10-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
3NUP
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CDK6 (MONOMERIC) IN COMPLEX WITH INHIBITOR
分子名称:Cell division protein kinase 6, 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
著者Chopra, R.
登録日2010-07-07
公開日2010-12-22
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
3NUX
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CDK6 (MONOMERIC) IN COMPLEX WITH INHIBITOR
分子名称:Cell division protein kinase 6, 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine
著者Chopra, R.
登録日2010-07-07
公開日2010-12-22
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
3S7L
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PYRAZOLYL AND THIENYL AMINOHYDANTOINS AS POTENT BACE1 INHIBITORS
分子名称:Beta-secretase 1, (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
著者Chopra, R., Olland, A., Svenson, K.
登録日2011-05-26
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
3S7M
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PYRAZOLYL AND THIENYL AMINOHYDANTOINS AS POTENT BACE1 INHIBITORS
分子名称:Beta-secretase 1, (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one
著者Chopra, R., Olland, A., Svenson, K.
登録日2011-05-26
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
6DFL
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WAAP IN COMPLEX WITH ACYL CARRIER PROTEIN
分子名称:Lipopolysaccharide core heptose(I) kinase RfaP, Acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
著者Chopra, R., Vash, B.
登録日2018-05-15
公開日2019-04-03
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase.
Sci Rep, 8, 2018
4AUA
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LIGANDED X-RAY CRYSTAL STRUCTURE OF CYCLIN DEPENDENT KINASE 6 (CDK6)
分子名称:CYCLIN-DEPENDENT KINASE 6, 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone
著者Cho, Y.S., Angove, H., Brain, C., Chen, C.H.T., Cheng, R., Chopra, R., Chung, K., Congreve, M., Dagostin, C., Davis, D., Feltell, R., Giraldes, J., Hiscock, S., Kim, S., Kovats, S., Lagu, B., Lewry, K., Loo, A., Lu, Y., Luzzio, M., Maniara, W., Mcmenamin, R., Mortenson, P., Benning, R., O'Reilly, M., Rees, D., Shen, J., Smith, T., Wang, Y., Williams, G., Woolford, A., Wrona, W., Xu, M., Yang, F., Howard, S.
登録日2012-05-15
公開日2013-02-06
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
1BNL
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ZINC DEPENDENT DIMERS OBSERVED IN CRYSTALS OF HUMAN ENDOSTATIN
分子名称:COLLAGEN XVIII, ZINC ION
著者Ding, Y.-H., Javaherian, K., Lo, K.-M., Chopra, R., Boehm, T., Lanciotti, J., Harris, B.A., Li, Y., Shapiro, R., Hohenester, E., Timpl, R., Folkman, J., Wiley, D.C.
登録日1998-07-30
公開日1998-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Zinc-dependent dimers observed in crystals of human endostatin.
Proc.Natl.Acad.Sci.USA, 95, 1998
3BM9
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DISCOVERY OF BENZISOXAZOLES AS POTENT INHIBITORS OF CHAPERONE HSP90
分子名称:Heat shock protein HSP 90-alpha, 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
著者Gopalsamy, A., Shi, M., Vogan, E.M., Golas, J., Jacob, J., Johnson, J., Lee, F., Nilakantan, R., Peterson, R., Svenson, K., Tam, M.S., Wen, Y., Chopra, R., Ellingboe, J., Arndt, K., Boschelli, F.
登録日2007-12-12
公開日2008-07-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
3BMY
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DISCOVERY OF BENZISOXAZOLES AS POTENT INHIBITORS OF CHAPERONE HSP90
分子名称:Heat shock protein HSP 90-alpha, 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol
著者Gopalsamy, A., Shi, M., Vogan, E.M., Golas, J., Jacob, J., Johnson, J., Lee, F., Nilakantan, R., Peterson, R., Svenson, K., Tam, M.S., Wen, Y., Chopra, R., Ellingboe, J., Arndt, K., Boschelli, F.
登録日2007-12-13
公開日2008-07-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
1A0C
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XYLOSE ISOMERASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES
分子名称:XYLOSE ISOMERASE, COBALT (II) ION
著者Gallay, O., Chopra, R., Conti, E., Brick, P., Blow, D.
登録日1997-11-28
公開日1998-06-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
1A0D
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XYLOSE ISOMERASE FROM BACILLUS STEAROTHERMOPHILUS
分子名称:XYLOSE ISOMERASE, MANGANESE (II) ION
著者Gallay, O., Chopra, R., Conti, E., Brick, P., Blow, D.
登録日1997-11-28
公開日1998-06-03
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
1A0E
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XYLOSE ISOMERASE FROM THERMOTOGA NEAPOLITANA
分子名称:XYLOSE ISOMERASE, COBALT (II) ION
著者Gallay, O., Chopra, R., Conti, E., Brick, P., Blow, D.
登録日1997-11-28
公開日1998-06-03
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
1FAV
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THE STRUCTURE OF AN HIV-1 SPECIFIC CELL ENTRY INHIBITOR IN COMPLEX WITH THE HIV-1 GP41 TRIMERIC CORE
分子名称:HIV-1 ENVELOPE PROTEIN CHIMERA, PROTEIN (TRANSMEMBRANE GLYCOPROTEIN)
著者Zhou, G., Ferrer, M., Chopra, R., Strassmaier, T., Weissenhorn, W., Skehel, J.J., Oprian, D., Schreiber, S.L., Harrison, S.C., Wiley, D.C.
登録日2000-07-13
公開日2000-08-23
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core.
Bioorg.Med.Chem., 8, 2000
1KAM
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STRUCTURE OF BACILLUS SUBTILIS NICOTINIC ACID MONONUCLEOTIDE ADENYLYL TRANSFERASE
分子名称:NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE
著者Olland, A.M., Underwood, K.W., Czerwinski, R.M., Lo, M.C., Aulabaugh, A., Bard, J., Stahl, M.L., Somers, W.S., Sullivan, F.X., Chopra, R.
登録日2001-11-02
公開日2002-07-12
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase.
J.Biol.Chem., 277, 2002
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