1BOZ
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![BU of 1boz by Molmil](/molmil-images/mine/1boz) | STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS | 分子名称: | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE) | 著者 | Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W. | 登録日 | 1998-08-06 | 公開日 | 1998-08-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J.Med.Chem., 41, 1998
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5T68
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![BU of 5t68 by Molmil](/molmil-images/mine/5t68) | Crystal structure of Syk catalytic domain in complex with a furo[3,2-d]pyrimidine | 分子名称: | N~4~-cyclopropyl-N~2~-(3-methyl-1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | 著者 | Argiriadi, M.A, Hoemann, M, Wilson, N, Banach, D, Burchat, A, Calderwood, D, Clapham, B, Cox, P, Duignan, D.B, Konopacki, D, Somal, G, Vasudevan, A. | 登録日 | 2016-09-01 | 公開日 | 2016-10-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Synthesis and optimization of furano[3,2-d]pyrimidines as selective spleen tyrosine kinase (Syk) inhibitors. Bioorg. Med. Chem. Lett., 26, 2016
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5VHB
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![BU of 5vhb by Molmil](/molmil-images/mine/5vhb) | |
5VIB
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![BU of 5vib by Molmil](/molmil-images/mine/5vib) | |
5VI9
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![BU of 5vi9 by Molmil](/molmil-images/mine/5vi9) | |
2GA2
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![BU of 2ga2 by Molmil](/molmil-images/mine/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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6X85
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![BU of 6x85 by Molmil](/molmil-images/mine/6x85) | |
6X82
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![BU of 6x82 by Molmil](/molmil-images/mine/6x82) | Crystal Structure of TNFalpha with isoquinoline compound 4 | 分子名称: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline, Tumor necrosis factor | 著者 | Longenecker, K.L, Stoll, V.S. | 登録日 | 2020-06-01 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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6X86
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![BU of 6x86 by Molmil](/molmil-images/mine/6x86) | Crystal Structure of TNFalpha with indolinone compound 11 | 分子名称: | 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor | 著者 | Longenecker, K.L, Stoll, V.S. | 登録日 | 2020-06-01 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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6X83
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![BU of 6x83 by Molmil](/molmil-images/mine/6x83) | |
6X81
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![BU of 6x81 by Molmil](/molmil-images/mine/6x81) | |
1YW8
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![BU of 1yw8 by Molmil](/molmil-images/mine/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
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![BU of 1yw7 by Molmil](/molmil-images/mine/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
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![BU of 1yw9 by Molmil](/molmil-images/mine/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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5UPF
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![BU of 5upf by Molmil](/molmil-images/mine/5upf) | |
5UPE
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![BU of 5upe by Molmil](/molmil-images/mine/5upe) | |
8DYG
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![BU of 8dyg by Molmil](/molmil-images/mine/8dyg) | IL17A homodimer bound to Compound 7 | 分子名称: | (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A | 著者 | Argiriadi, M.A, Goedken, E.R. | 登録日 | 2022-08-04 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYH
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![BU of 8dyh by Molmil](/molmil-images/mine/8dyh) | IL17A homodimer bound to Compound 6 | 分子名称: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A | 著者 | Argiriadi, M.A, Goedken, E.R. | 登録日 | 2022-08-04 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYF
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![BU of 8dyf by Molmil](/molmil-images/mine/8dyf) | IL17A homodimer bound to Compound 10 | 分子名称: | (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A | 著者 | Argiriadi, M.A, Goedken, E.R. | 登録日 | 2022-08-04 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYI
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![BU of 8dyi by Molmil](/molmil-images/mine/8dyi) | IL17A homodimer bound to Compound 5 | 分子名称: | (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A | 著者 | Argiriadi, M.A, Goedken, E.R. | 登録日 | 2022-08-04 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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6E99
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![BU of 6e99 by Molmil](/molmil-images/mine/6e99) | |
6ED6
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![BU of 6ed6 by Molmil](/molmil-images/mine/6ed6) | |
6E9W
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![BU of 6e9w by Molmil](/molmil-images/mine/6e9w) | |
6E9L
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![BU of 6e9l by Molmil](/molmil-images/mine/6e9l) | |
6BL1
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![BU of 6bl1 by Molmil](/molmil-images/mine/6bl1) | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | 分子名称: | (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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