3KEN
| Human Eg5 in complex with S-trityl-L-cysteine | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ... | 著者 | Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K. | 登録日 | 2009-10-26 | 公開日 | 2010-03-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Allosteric drug discrimination is coupled to mechanochemical changes in the kinesin-5 motor core. J.Biol.Chem., 285, 2010
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3HQD
| Human kinesin Eg5 motor domain in complex with AMPPNP and Mg2+ | 分子名称: | Kinesin-like protein KIF11, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K. | 登録日 | 2009-06-05 | 公開日 | 2009-12-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | ATP Hydrolysis in Eg5 Kinesin Involves a Catalytic Two-water Mechanism. J.Biol.Chem., 285, 2010
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2GA2
| h-MetAP2 complexed with A193400 | 分子名称: | 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Park, C. | 登録日 | 2006-03-07 | 公開日 | 2007-03-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties. Bioorg.Med.Chem.Lett., 16, 2006
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2RCW
| PARP complexed with A620223 | 分子名称: | Poly [ADP-ribose] polymerase 1, trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium | 著者 | Park, C.H. | 登録日 | 2007-09-20 | 公開日 | 2008-09-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | PARP complexed with A620223 To be Published
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2RD6
| PARP complexed with A861695 | 分子名称: | (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1 | 著者 | Park, C.H. | 登録日 | 2007-09-21 | 公開日 | 2008-09-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | PARP complexed with A861695 To be Published
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1YW8
| h-MetAP2 complexed with A751277 | 分子名称: | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Park, C.H. | 登録日 | 2005-02-17 | 公開日 | 2006-02-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding. J.Med.Chem., 49, 2006
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1YW7
| h-MetAP2 complexed with A444148 | 分子名称: | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Park, C.H. | 登録日 | 2005-02-17 | 公開日 | 2006-02-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding. J.Med.Chem., 49, 2006
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1YW9
| h-MetAP2 complexed with A849519 | 分子名称: | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Park, C.H. | 登録日 | 2005-02-17 | 公開日 | 2006-02-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding. J.Med.Chem., 49, 2006
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4LVT
| Bcl_2-Navitoclax (ABT-263) Complex | 分子名称: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2 | 著者 | Park, C.H. | 登録日 | 2013-07-26 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. NAT.MED. (N.Y.), 19, 2013
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4LXD
| Bcl_2-Navitoclax Analog (without Thiophenyl) Complex | 分子名称: | 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2 | 著者 | Park, C.H. | 登録日 | 2013-07-29 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. NAT.MED. (N.Y.), 19, 2013
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4MAN
| Bcl_2-Navitoclax Analog (with Indole) Complex | 分子名称: | 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide, Apoptosis regulator Bcl-2 | 著者 | Park, C.H. | 登録日 | 2013-08-16 | 公開日 | 2014-01-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. NAT.MED. (N.Y.), 19, 2013
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3OWB
| Crystal Structure of HSP90 with VER-49009 | 分子名称: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, Heat shock protein HSP 90-alpha | 著者 | Park, C.H. | 登録日 | 2010-09-17 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3OW6
| Crystal Structure of HSP90 with N-Aryl-benzimidazolone I | 分子名称: | 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha | 著者 | Park, C.H. | 登録日 | 2010-09-17 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3OWD
| Crystal Structure of HSP90 with N-Aryl-benzimidazolone II | 分子名称: | Heat shock protein HSP 90-alpha, N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide | 著者 | Park, C.H. | 登録日 | 2010-09-17 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3L3L
| PARP complexed with A906894 | 分子名称: | 3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | 著者 | Park, C.H. | 登録日 | 2009-12-17 | 公開日 | 2010-12-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery and SAR of substituted 3-oxoisoindoline-4-carboxamides as potent inhibitors of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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5UEX
| BRD4_BD2_A-1497627 | 分子名称: | 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-05-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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2EA2
| h-MetAP2 complexed with A773812 | 分子名称: | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Park, C.H. | 登録日 | 2007-01-30 | 公開日 | 2008-02-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids Bioorg.Med.Chem.Lett., 17, 2007
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3L3M
| PARP complexed with A927929 | 分子名称: | 2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide, Poly [ADP-ribose] polymerase 1 | 著者 | Park, C.H. | 登録日 | 2009-12-17 | 公開日 | 2010-06-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor. J.Med.Chem., 53, 2010
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2EA4
| h-MetAP2 complexed with A797859 | 分子名称: | 2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Park, C.H. | 登録日 | 2007-01-30 | 公開日 | 2008-02-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids Bioorg.Med.Chem.Lett., 17, 2007
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4QVX
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5UEU
| BRD4_BD2_A-1107604 | 分子名称: | Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-05-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UF0
| BRD4_BD2-A-35165 | 分子名称: | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-06-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEZ
| BRD4_BD2_A-1342843 | 分子名称: | 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-05-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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2E9N
| Structure of h-CHK1 complexed with A767085 | 分子名称: | 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE, Serine/threonine-protein kinase Chk1 | 著者 | Park, C. | 登録日 | 2007-01-26 | 公開日 | 2008-01-29 | 最終更新日 | 2024-03-13 | 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
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5UEW
| BRD2 Bromodomain2 with A-1360579 | 分子名称: | Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-05-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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