3S7M
 
 | |
4EZ5
 | | 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 | 2023-09-13 | | 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
|
|
1RTD
 | | STRUCTURE OF A CATALYTIC COMPLEX OF HIV-1 REVERSE TRANSCRIPTASE: IMPLICATIONS FOR NUCLEOSIDE ANALOG DRUG RESISTANCE | | 分子名称: | DNA PRIMER FOR REVERSE TRANSCRIPTASE, DNA TEMPLATE FOR REVERSE TRANSCRIPTASE, MAGNESIUM ION, ... | | 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 | 2024-02-14 | | 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
|
|
4TN2
 | | NS5b in complex with lactam-thiophene carboxylic acids | | 分子名称: | 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein | | 著者 | Chopra, R. | | 登録日 | 2014-06-02 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-12-27 | | 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
|
|
4TLR
 | | NS5b in complex with lactam-thiophene carboxylic acids | | 分子名称: | 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, NS5b | | 著者 | Chopra, R. | | 登録日 | 2014-05-30 | | 公開日 | 2014-12-10 | | 最終更新日 | 2024-11-13 | | 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
|
|
7KFA
 | | PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor | | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ... | | 著者 | Chopra, R, Xu, M, Spraggon, G. | | 登録日 | 2020-10-13 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
|
|
6DFL
 | | WaaP in complex with acyl carrier protein | | 分子名称: | Acyl carrier protein, Lipopolysaccharide core heptose(I) kinase RfaP, 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 | 2024-11-06 | | 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
|
|
2ZDZ
 | | 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 | 2024-11-13 | | 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
 | | X-ray structure of Bace-1 in complex with compound 6g | | 分子名称: | 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide, Beta-secretase 1 | | 著者 | Chopra, R, Olland, A. | | 登録日 | 2007-12-05 | | 公開日 | 2008-12-09 | | 最終更新日 | 2024-10-23 | | 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
|
|
3S7L
 | |
2QU3
 | | 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 | 2024-10-30 | | 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
|
|
2QU2
 | | 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 | 2024-10-30 | | 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
|
|
3NUP
 | | CDK6 (monomeric) in complex with inhibitor | | 分子名称: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6 | | 著者 | Chopra, R. | | 登録日 | 2010-07-07 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-04-03 | | 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
 | | CDK6 (monomeric) in complex with inhibitor | | 分子名称: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6 | | 著者 | Chopra, R. | | 登録日 | 2010-07-07 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-02-21 | | 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
|
|
2QE5
 | |
2QE2
 | |
2Q85
 | |
4AUA
 | | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | | 分子名称: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | | 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 | 2024-05-08 | | 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
|
|
2GC8
 | | Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase | | 分子名称: | 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase | | 著者 | Gopalsamy, A, Chopra, R, Lim, K, Ciszewski, G, Shi, M, Curran, K.J, Sukits, S.F, Svenson, K, Bard, J, Ellingboe, J.W, Agarwal, A, Krishnamurthy, G, Howe, A.Y, Orlowski, M, Feld, B, O'connell, J, Mansour, T.S. | | 登録日 | 2006-03-13 | | 公開日 | 2006-06-13 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site.
J.Med.Chem., 49, 2006
|
|
7KEV
 | | PCSK9 in complex with a cyclic peptide LDLR disruptor | | 分子名称: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ... | | 著者 | Spraggon, G, Chopra, R. | | 登録日 | 2020-10-12 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
|
|
1KAQ
 | | Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase | | 分子名称: | NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE, NICOTINIC ACID ADENINE DINUCLEOTIDE | | 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 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase.
J.Biol.Chem., 277, 2002
|
|
1ZUC
 | | Progesterone receptor ligand binding domain in complex with the nonsteroidal agonist tanaproget | | 分子名称: | 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE, Progesterone receptor, SULFATE ION | | 著者 | Zhang, Z, Olland, A.M, Zhu, Y, Cohen, J, Berrodin, T, Chippari, S, Appavu, C, Li, S, Wilhem, J, Chopra, R, Fensome, A, Zhang, P, Wrobel, J, Unwalla, R.J, Lyttle, C.R, Winneker, R.C. | | 登録日 | 2005-05-30 | | 公開日 | 2005-07-05 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular and pharmacological properties of a potent and selective novel nonsteroidal progesterone receptor agonist tanaproget
J.Biol.Chem., 280, 2005
|
|
1KAM
 | | 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 | 2024-02-07 | | 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
|
|
3BM9
 | | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | | 分子名称: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | 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 | 2024-02-21 | | 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
 | | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | | 分子名称: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha | | 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 | 2024-02-21 | | 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
|
|
