Author results

1DIF
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HIV-1 PROTEASE IN COMPLEX WITH A DIFLUOROKETONE CONTAINING INHIBITOR A79285
分子名称:HIV-1 PROTEASE, BETA-MERCAPTOETHANOL, N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Silva, A.M., Cachau, R.E., Sham, H.L., Erickson, J.W.
登録日1995-10-09
公開日1996-03-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition and catalytic mechanism of HIV-1 aspartic protease.
J.Mol.Biol., 255, 1996
1MUI
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH LOPINAVIR.
分子名称:protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
著者Stoll, V., Qin, W., Stewart, K.D., Jakob, C., Park, C., Walter, K., Simmer, R.L., Helfrich, R., Bussiere, D., Kao, J., Kempf, D., Sham, H.L., Norbeck, D.W.
登録日2002-09-23
公開日2002-10-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease
BIOORG.MED.CHEM., 10, 2002
1NI1
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IMIDAZOLE AND CYANOPHENYL FARNESYL TRANSFERASE INHIBITORS
分子名称:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
著者Tong, Y., Lin, N.H., Wang, L., Hasvold, L., Wang, W., Leonard, N., Li, T., Li, Q., Cohen, J., Gu, W.Z., Zhang, H., Stoll, V., Bauch, J., Marsh, K., Rosenberg, S.H., Sham, H.L.
登録日2002-12-20
公開日2004-04-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 13, 2003
1NL4
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CRYSTAL STRUCTURE OF RAT FARNESYL TRANSFERASE IN COMPLEX WITH A POTENT BIPHENYL INHIBITOR
分子名称:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
著者Curtin, M.L., Florjancic, A.S., Cohen, J., Gu, W.-J., Frost, D.J., Muchmore, S.W., Sham, H.L.
登録日2003-01-06
公開日2003-02-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Novel and Selective Imidazole-containing Biphenyl Inhibitors of Protein Farnesyltransferase
BIOORG.MED.CHEM.LETT., 13, 2003
1X81
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FARNESYL TRANSFERASE STRUCTURE OF JANSEN COMPOUND
分子名称:Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
著者Li, Q., Claiborne, A., Li, T., Hasvold, L., Stoll, V.S., Muchmore, S., Jakob, C.G., Gu, W., Cohen, J., Hutchins, C., Frost, D., Rosenberg, S.H., Sham, H.L.
登録日2004-08-16
公開日2004-12-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
2AYP
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CRYSTAL STRUCTURE OF CHK1 WITH AN INDOL INHIBITOR
分子名称:Serine/threonine-protein kinase Chk1, (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE
著者Lin, N.-H., Xia, P., Kovar, P., Chen, Z., Zhang, H., Rosenberg, S.H., Sham, H.L.
登録日2005-09-07
公開日2006-09-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
2I3Z
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RAT DPP-IV WITH XANTHINE MIMETIC INHIBITOR #7
分子名称:Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV), 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM
著者Kurukulasuriya, R., Rohde, J.J., Szczepankiewicz, B.G., Basha, F., Lai, C., Winn, M., Stewart, K.D., Longenecker, K.L., Lubben, T.W., Ballaron, S.J., Sham, H.L., VonGeldern, T.W.
登録日2006-08-21
公開日2006-12-12
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Xanthine mimetics as potent dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2OQI
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HUMAN DIPEPTIDYL PEPTIDASE IV (DPP4) WITH PIPERIDINONE-CONSTRAINED PHENETHYLAMINE
分子名称:Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP), (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE
著者Pei, Z., Li, X., von Geldern, T.W., Longenecker, K.L., Pireh, D., Stewart, K.D., Backes, B.J., Lai, C., Lubben, T.H., Ballaron, S.J., Beno, D.W., Kempf-Grote, A.J., Sham, H.L., Trevillyan, J.M.
登録日2007-01-31
公開日2007-04-03
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
3OY1
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HIGHLY SELECTIVE C-JUN N-TERMINAL KINASE (JNK) 2 AND 3 INHIBITORS WITH IN VITRO CNS-LIKE PHARMACOKINETIC PROPERTIES
分子名称:Mitogen-activated protein kinase 10, 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
著者Probst, G.D., Bowers, S., Sealy, J.M., Truong, A., Neitz, J., Hom, R.K., Galemmo Jr., R.A., Konradi, A.W., Sham, H.L., Quincy, D., Pan, H., Yao, N.
登録日2010-09-22
公開日2011-08-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
3PTG
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DESIGN AND SYNTHESIS OF A NOVEL, ORALLY EFFICACIOUS TRI-SUBSTITUTED THIOPHENE BASED JNK INHIBITOR
分子名称:Mitogen-activated protein kinase 10, C-Jun-amino-terminal kinase-interacting protein 1, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide
著者Bowers, S., Truong, A.P., Neitz, J., Neitzel, M., Probst, G.D., Hom, R.K., Konradi, A.W., Sham, H.L., Toth, G., Pan, H., Yao, N., Artis, D.R., Brigham, E.F., Quinn, K.P., Sauer, J., Powell, K., Ruslim, L., Bard, F., Yednock, T.A., Griswold-Prenner, I.
登録日2010-12-02
公開日2011-03-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
3RTP
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DESIGN AND SYNTHESIS OF BRAIN PENETRANT SELECTIVE JNK INHIBITORS WITH IMPROVED PHARMACOKINETIC PROPERTIES FOR THE PREVENTION OF NEURODEGENERATION
分子名称:Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide
著者Bowers, S., Truong, A.P., Neitz, R.J., Hom, R.K., Sealy, J.M., Probst, G.D., Quincy, Q., Peterson, B., Chan, W., Galemmo Jr., R.A., Konradi, A.W., Sham, H.L., Pan, H., Lin, M., Yao, N., Artis, D.R., Zhang, H., Chen, L., Dryer, M., Samant, B., Zmolek, W., Wong, K., Lorentzen, C., Goldbach, E., Tonn, G., Quinn, K.P., Sauer, J., Wright, S., Powell, K., Ruslim, L., Ren, Z., Bard, F., Yednock, T.A., Griswold-Prenne, I.
登録日2011-05-03
公開日2013-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
4I11
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STRUCTURE-BASED DESIGN OF NOVEL DIHYDROISOQUINOLINE BACE-1 INHIBITORS THAT DO NOT ENGAGE THE CATALYTIC ASPARTATES.
分子名称:Beta-secretase 1, ZINC ION, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine
著者Bowers, B., Xu, Y., Yuan, S., Probst, G.D., Hom, R.K., Chan, W., Konradi, A.W., Sham, H.L., Zhu, Y.L., Beroza, P., Pan, H., Brecht, E., Yao, N., Lougheed, J., Artis, D.R., Tam, D., Bova, M.
登録日2012-11-19
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4I5M
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SELECTIVE & BRAIN-PERMEABLE POLO-LIKE KINASE-2 (PLK-2) INHIBITORS THAT REDUCE -SYNUCLEIN PHOSPHORYLATION IN RAT BRAIN
分子名称:Serine/threonine-protein kinase PLK2, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
著者Aubele, D.L., Hom, R.K., Adler, M., Galemmo Jr., R.A., Bowers, S., Truong, A.P., Pan, H., Beroza, P., Neitz, R.J., Yao, N., Lin, M., Tonn, G., Zhang, H., Bova, M.P., Ren, Z., Tam, D., Ruslim, L., Baker, J., Diep, L., Fitzgerald, K., Hoffman, J., Motter, R., Fauss, D., Tanaka, P., Dappen, M., Jagodzinski, J., Chan, W., Konradi, A.W., Latimer, L., Zhu, Y.L., Artis, D.R., Sham, H.L., Anderson, J.P., Bergeron, M.
登録日2012-11-28
公開日2013-12-25
最終更新日2014-10-08
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
1PRO
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HIV-1 PROTEASE DIMER COMPLEXED WITH A-98881
分子名称:HIV-1 PROTEASE, (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE
著者Park, C.H., Kong, X.P., Dealwis, C.G.
登録日1995-07-18
公開日1996-08-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease.
J.Med.Chem., 39, 1996
2H96
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DISCOVERY OF POTENT, HIGHLY SELECTIVE, AND ORALLY BIOAVAILABLE PYRIDINE CARBOXAMIDE C-JUN NH2-TERMINAL KINASE INHIBITORS
分子名称:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
著者Abad-Zapatero, C.
登録日2006-06-09
公開日2006-07-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
2GMX
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SELECTIVE AMINOPYRIDINE-BASED C-JUN N-TERMINAL KINASE INHIBITORS WITH CELLULAR ACTIVITY
分子名称:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
著者Abad-Zapatero, C.
登録日2006-04-07
公開日2006-06-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity.
J.Med.Chem., 49, 2006
2NO3
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NOVEL 4-ANILINOPYRIMIDINES AS POTENT JNK1 INHIBITORS
分子名称:Mitogen-activated protein kinase 8, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, SULFATE ION, ...
著者Abad-Zapatero, C.
登録日2006-10-24
公開日2007-04-17
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies.
Bioorg.Med.Chem.Lett., 17, 2007
2A4F
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SYNTHESIS AND ACTIVITY OF N-AXYL AZACYCLIC UREA HIV-1 PROTEASE INHIBITORS WITH HIGH POTENCY AGAINST MULTIPLE DRUG RESISTANT VIRAL STRAINS.
分子名称:Pol polyprotein, (5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE
著者Zhao, C., Sham, H., Sun, M., Lin, S., Stoll, V., Stewart, K.D., Mo, H., Vasavanonda, S., Saldivar, A., McDonald, E.
登録日2005-06-28
公開日2005-09-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains
Bioorg.Med.Chem.Lett., 15, 2005
3OXI
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DESIGN AND SYNTHESIS OF DISUBSTITUTED THIOPHENE AND THIAZOLE BASED INHIBITORS OF JNK FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES
分子名称:Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8 interacting protein 1, methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
著者Hom, R.K., Bowers, S., Sealy, J., Truong, A., Probst, G.D., Neitzel, M., Neitz, J., Fang, L., Brogley, L., Wu, J., Konradi, A.W., Sham, H., Toth, G., Pan, H., Yao, N., Artis, D.R.
登録日2010-09-21
公開日2011-05-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK.
Bioorg.Med.Chem.Lett., 20, 2010
1N94
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ARYL TETRAHYDROPYRIDINE INHBITORS OF FARNESYLTRANSFERASE: GLYCINE, PHENYLALANINE AND HISTIDINE DERIVATES
分子名称:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, ...
著者Gwaltney II, S.L., O'Connor, S.J., Nelson, L.T., Sullivan, G.M., Imade, H., Wang, W., Hasvold, L., Li, Q., Cohen, J., Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
1N95
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ARYL TETRAHYDROPHYRIDINE INHBITORS OF FARNESYLTRANFERASE: GLYCINE, PHENYLALANINE AND HISTIDINE DERIVATIVES
分子名称:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
著者Gwaltney II, S.L., O'Conner, S.J., Nelson, L.T., Sullivan, G.M., Imade, H., Wang, W., Hasvold, L., Li, Q., Cohen, J., Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
1N9A
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FARNESYLTRANSFERASE COMPLEX WITH TETRAHYDROPYRIDINE INHIBITORS
分子名称:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
著者Gwaltney II, S.L., O'Conner, S.J., Nelson, L.T., Sullivan, G.M., Imade, H., Wang, W., Hasvold, L., Li, Q., Cohen, J., Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency.
Bioorg.Med.Chem.Lett., 13, 2003
2E9N
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STRUCTURE OF H-CHK1 COMPLEXED WITH A767085
分子名称:Serine/threonine-protein kinase Chk1, 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE
著者Park, C.
登録日2007-01-26
公開日2008-01-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
2E9O
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STRUCTURE OF H-CHK1 COMPLEXED WITH AA582939
分子名称:Serine/threonine-protein kinase Chk1, 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID
著者Park, C.
登録日2007-01-26
公開日2008-01-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
2E9P
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STRUCTURE OF H-CHK1 COMPLEXED WITH A771129
分子名称:Serine/threonine-protein kinase Chk1, 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA
著者Park, C.
登録日2007-01-26
公開日2008-01-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design, Synthesis and Biological Evaluation of Potent and Selective Macrocyclic Chk1 Inhibitors
To be Published
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