1VYP
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1VYS
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7XQE
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![BU of 7xqe by Molmil](/molmil-images/mine/7xqe) | Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039 | 分子名称: | 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ... | 著者 | Wu, X, Li, C, Zhang, Y, Xu, Y. | 登録日 | 2022-05-07 | 公開日 | 2023-05-31 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer. Acta Pharmacol.Sin., 2024
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1VLH
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1VYR
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![BU of 1vyr by Molmil](/molmil-images/mine/1vyr) | Structure of pentaerythritol tetranitrate reductase complexed with picric acid | 分子名称: | FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID | 著者 | Barna, T, Moody, P.C.E. | 登録日 | 2004-05-05 | 公開日 | 2004-06-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | 主引用文献 | Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation J.Biol.Chem., 279, 2004
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5SUW
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![BU of 5suw by Molmil](/molmil-images/mine/5suw) | Crystal Structure of ToxT from Vibrio Cholerae O395 bound to 3-(8-Methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid, TCP pilus virulence regulatory protein | 著者 | Kull, F.J, Kelley, A.R. | 登録日 | 2016-08-04 | 公開日 | 2017-04-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of ToxT from Vibrio Cholerae O395 bound to 3-(8-Methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid To Be Published
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2EI8
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![BU of 2ei8 by Molmil](/molmil-images/mine/2ei8) | FACTOR XA IN COMPLEX WITH THE INHIBITOR (1S,2R,4S)-N1-[(5-chloroindol-2-yl)carbonyl]-4-(N,N-dimethylcarbamoyl)-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine | 分子名称: | CALCIUM ION, Coagulation factor X, heavy chain, ... | 著者 | Suzuki, M. | 登録日 | 2007-03-12 | 公開日 | 2008-03-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of N-{(1R,2S,5S)-2-{[(5-Chloroindol-2-yl)carbonyl]amino}-5-[(dimethylamino)carbonyl]cyclohexyl}-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride: A Novel, Potent and Orally Active Direct Inhibitor of Factor Xa To be Published
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5T7O
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![BU of 5t7o by Molmil](/molmil-images/mine/5t7o) | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | 著者 | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | 登録日 | 2016-09-05 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE To Be Published
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1ZOG
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![BU of 1zog by Molmil](/molmil-images/mine/1zog) | Crystal structure of protein kinase CK2 in complex with TBB-derivatives | 分子名称: | 4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE, PROTEIN KINASE CK2, alpha SUBUNIT | 著者 | Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A. | 登録日 | 2005-05-13 | 公開日 | 2005-11-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole. Chem.Biol., 12, 2005
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2G8N
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![BU of 2g8n by Molmil](/molmil-images/mine/2g8n) | Structure of hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy | 分子名称: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Drinkwater, N, Gee, C.L, Martin, J.L. | 登録日 | 2006-03-02 | 公開日 | 2006-09-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Comparison of the Binding of 3-Fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with Their Isosteric Sulfonamides to the Active Site of Phenylethanolamine N-Methyltransferase J.Med.Chem., 49, 2006
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2WYR
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1LU9
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![BU of 1lu9 by Molmil](/molmil-images/mine/1lu9) | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylobacterium extorquens AM1 | 分子名称: | Methylene Tetrahydromethanopterin Dehydrogenase | 著者 | Ermler, U, Hagemeier, C.H, Roth, A, Demmer, U, Grabarse, W, Warkentin, E, Vorholt, J.A. | 登録日 | 2002-05-22 | 公開日 | 2002-09-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of methylene-tetrahydromethanopterin dehydrogenase from methylobacterium extorquens AM1. Structure, 10, 2002
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1LUA
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![BU of 1lua by Molmil](/molmil-images/mine/1lua) | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylobacterium extorquens AM1 complexed with NADP | 分子名称: | Methylene Tetrahydromethanopterin Dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Ermler, U, Hagemeier, C.H, Roth, A, Demmer, U, Grabarse, W, Warkentin, E, Vorholt, J.A. | 登録日 | 2002-05-22 | 公開日 | 2002-09-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of methylene-tetrahydromethanopterin dehydrogenase from methylobacterium extorquens AM1. Structure, 10, 2002
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3V3N
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![BU of 3v3n by Molmil](/molmil-images/mine/3v3n) | Crystal structure of TetX2 T280A: an adaptive mutant in complex with minocycline | 分子名称: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | 著者 | Walkiewicz, K, Shamoo, Y. | 登録日 | 2011-12-13 | 公開日 | 2013-01-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | 主引用文献 | Crystal structure of TetX2 T280A: an adaptive mutant in complex with minocycline To be Published
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1ZOH
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![BU of 1zoh by Molmil](/molmil-images/mine/1zoh) | Crystal structure of protein kinase CK2 in complex with TBB-derivatives inhibitors | 分子名称: | 1,2-ETHANEDIOL, 5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE, CHLORIDE ION, ... | 著者 | Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A. | 登録日 | 2005-05-13 | 公開日 | 2005-11-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole. Chem.Biol., 12, 2005
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1ZOE
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![BU of 1zoe by Molmil](/molmil-images/mine/1zoe) | Crystal structure of protein kinase CK2 in complex with TBB-derivatives inhibitors | 分子名称: | 4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A. | 登録日 | 2005-05-13 | 公開日 | 2005-11-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole. Chem.Biol., 12, 2005
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7W6G
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![BU of 7w6g by Molmil](/molmil-images/mine/7w6g) | TKS-L190G mutant from Cannabis sativa in complex with lauroyl-CoA | 分子名称: | 3,5,7-trioxododecanoyl-CoA synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Nakashima, Y, Lee, Y.E, Morita, H. | 登録日 | 2021-12-01 | 公開日 | 2022-02-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs. Org.Lett., 24, 2022
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1DWV
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![BU of 1dwv by Molmil](/molmil-images/mine/1dwv) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin | 分子名称: | 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | 著者 | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | 登録日 | 1999-12-14 | 公開日 | 2000-02-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins Biochemistry, 39, 2000
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2F7R
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![BU of 2f7r by Molmil](/molmil-images/mine/2f7r) | Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol | 分子名称: | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kuntz, D.A, Rose, D.R. | 登録日 | 2005-12-01 | 公開日 | 2006-12-12 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol To be Published
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1TLR
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1RX6
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2UZS
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![BU of 2uzs by Molmil](/molmil-images/mine/2uzs) | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K) | 分子名称: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-alpha serine/threonine-protein kinase | 著者 | Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E. | 登録日 | 2007-05-01 | 公開日 | 2007-07-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer. Nature, 448, 2007
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3W1P
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![BU of 3w1p by Molmil](/molmil-images/mine/3w1p) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | 分子名称: | 5-ethenyl-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 | 2012-11-19 | 公開日 | 2013-11-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid To be Published
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1RX4
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1MXJ
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![BU of 1mxj by Molmil](/molmil-images/mine/1mxj) | NMR solution structure of benz[a]anthracene-dG in ras codon 12,2; GGCAGXTGGTG | 分子名称: | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL, 5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*GP*GP*TP*GP*GP*TP*G)-3' | 著者 | Kim, H.-Y.H, Wilkinson, A.S, Harris, C.M, Harris, T.M, Stone, M.P. | 登録日 | 2002-10-02 | 公開日 | 2003-03-11 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Minor Groove Orientation for the (1S,2R,3S,4R)-N2-[1-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-benz[a]anthracenyl)]-2'-deoxyguanosyl Adduct in the N-ras Codon 12 sequence Biochemistry, 42, 2003
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