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1WOK
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BU of 1wok by Molmil
Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase complexed with a quinoxaline-type inhibitor
Descriptor: 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE, Poly [ADP-ribose] polymerase-1
Authors:Iwashita, A, Hattori, K, Yamamoto, H, Ishida, J, Kido, Y, Kamijo, K, Murano, K, Miyake, H, Kinoshita, T, Warizaya, M, Ohkubo, M, Matsuoka, N, Mutoh, S.
Deposit date:2004-08-20
Release date:2005-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of quinazolinone and quinoxaline derivatives as potent and selective poly(ADP-ribose) polymerase-1/2 inhibitors.
Febs Lett., 579, 2005
5ZR3
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BU of 5zr3 by Molmil
Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide
Descriptor: 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha
Authors:Uno, T, Chong, K.T, Suzuki, T.
Deposit date:2018-04-23
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.
J. Med. Chem., 62, 2019
7XJO
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BU of 7xjo by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kamitani, M, Mima, M, Takeuchi, T.
Deposit date:2022-04-18
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
7XGJ
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BU of 7xgj by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
Descriptor: CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ...
Authors:Kamitani, M, Mima, M, Takeuchi, T.
Deposit date:2022-04-05
Release date:2022-06-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
1UK1
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BU of 1uk1 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase complexed with a potent inhibitor
Descriptor: 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE, Poly [ADP-ribose] polymerase-1
Authors:Kinoshita, T.
Deposit date:2003-08-14
Release date:2004-09-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rational approaches to discovery of orally active and brain-penetrable quinazolinone inhibitors of poly(ADP-ribose)polymerase
J.Med.Chem., 47, 2004

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