3W22
 
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-125 | | 分子名称: | 5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2012-11-26 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-125
To be Published
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4GTO
 | | FTase in complex with BMS analogue 14 | | 分子名称: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | | 著者 | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | | 登録日 | 2012-08-29 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
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4GTT
 | | Engineered RabGGTase in complex with BMS analogue 12 | | 分子名称: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | | 著者 | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | | 登録日 | 2012-08-29 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
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3F69
 | | Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720 | | 分子名称: | SULFATE ION, Serine/threonine-protein kinase pknB, hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate | | 著者 | Alber, T, Mieczkowski, C.A, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2008-11-05 | | 公開日 | 2008-12-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Auto-activation mechanism of the Mycobacterium tuberculosis PknB receptor Ser/Thr kinase.
Embo J., 27, 2008
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3W1T
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-095 | | 分子名称: | 2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2012-11-21 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-095
To be Published
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4JVA
 | | Crystal Structure of RIIbeta(108-402) bound to HE33, a N6 di-propyl substituted cAMP analog | | 分子名称: | (2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide, cAMP-dependent protein kinase type II-beta regulatory subunit | | 著者 | Brown, S.H.J, Cheng, C.Y, Saldanha, A.S, Wu, J, Cottam, H, Sankaran, B, Taylor, S.S. | | 登録日 | 2013-03-25 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Implementing Fluorescence Anisotropy Screening and Crystallographic Analysis to Define PKA Isoform-Selective Activation by cAMP Analogs.
Acs Chem.Biol., 8, 2013
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4JSF
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(heptane-1,7-diyl)bis(4-methylpyridin-2-amine) | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine), ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2013-03-22 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
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3FLN
 | | P38 kinase crystal structure in complex with R1487 | | 分子名称: | 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 | | 著者 | Kuglstatter, A, Knapp, M. | | 登録日 | 2008-12-19 | | 公開日 | 2009-12-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
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4HGT
 | | Crystal structure of ck1d with compound 13 | | 分子名称: | 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform delta | | 著者 | Huang, X. | | 登録日 | 2012-10-08 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
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3W1U
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-111 | | 分子名称: | 5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2012-11-21 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-111
To be Published
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4J54
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-0519A | | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, ACETATE ION, IODIDE ION, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | 登録日 | 2013-02-07 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran.
J.Med.Chem., 56, 2013
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4JLG
 | | SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine | | 分子名称: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... | | 著者 | Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2013-03-12 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | | 主引用文献 | (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3W2K
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-165 | | 分子名称: | 5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2012-11-29 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-165
To be Published
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3W2N
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-185 | | 分子名称: | 2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2012-12-03 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-185
To be Published
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3C9W
 | | Crystal Structure of ERK-2 with hypothemycin covalently bound | | 分子名称: | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione, Mitogen-activated protein kinase 1 | | 著者 | Rosenfeld, R.J. | | 登録日 | 2008-02-18 | | 公開日 | 2008-07-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular modeling and crystal structure of ERK2-hypothemycin complexes
J.Struct.Biol., 164, 2008
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3W75
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-149 | | 分子名称: | 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2013-02-27 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-149
To be Published
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4HA8
 | | Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene | | 分子名称: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Biotin-[acetyl-CoA-carboxylase] ligase | | 著者 | Yap, M, Wilce, M, Polyak, S, Soares da Costa, T, Tieu, W. | | 登録日 | 2012-09-25 | | 公開日 | 2013-10-30 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene
To be Published
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3W7J
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-040 | | 分子名称: | 5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2013-02-28 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-040
To be Published
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3W2L
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-169 | | 分子名称: | 5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2012-11-29 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-169
To be Published
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4HEE
 | | Crystal structure of PPARgamma in complex with compound 13 | | 分子名称: | 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Han, S. | | 登録日 | 2012-10-03 | | 公開日 | 2013-08-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-gamma
Bioorg.Med.Chem.Lett., 23, 2013
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3W2J
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-135 | | 分子名称: | 5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2012-11-28 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-135
To be Published
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4JSE
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine) | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine), ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2013-03-22 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
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4HGL
 | | Crystal structure of ck1g3 with compound 1 | | 分子名称: | 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION | | 著者 | Huang, X. | | 登録日 | 2012-10-08 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
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3FYK
 | | Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2) | | 分子名称: | (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, MAP kinase-activated protein kinase 2 | | 著者 | Kurumbail, R.G, Caspers, N. | | 登録日 | 2009-01-22 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
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3W71
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-097 | | 分子名称: | 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | 著者 | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2013-02-27 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-097
To be Published
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