7W6Z
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7W6Y
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![BU of 7w6y by Molmil](/molmil-images/mine/7w6y) | Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1 | 分子名称: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Anti sigma-E protein, RseA, ... | 著者 | Imaizumi, Y, Takanuki, K, Nogi, T. | 登録日 | 2021-12-02 | 公開日 | 2022-09-07 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP. Sci Adv, 8, 2022
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7YI7
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![BU of 7yi7 by Molmil](/molmil-images/mine/7yi7) | Crystal structure of Human HPSE1 in complex with inhibitor | 分子名称: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | 著者 | Mima, M, Fujimoto, N, Imai, Y. | 登録日 | 2022-07-15 | 公開日 | 2022-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor. Bioorg.Med.Chem.Lett., 79, 2022
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7YJC
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![BU of 7yjc by Molmil](/molmil-images/mine/7yjc) | Crystal structure of Human HPSE1 in complex with inhibitor | 分子名称: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | 著者 | Mima, M, Fujimoto, N, Imai, Y. | 登録日 | 2022-07-19 | 公開日 | 2022-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor. Bioorg.Med.Chem.Lett., 79, 2022
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8JYG
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![BU of 8jyg by Molmil](/molmil-images/mine/8jyg) | Crystal structure of Human HPSE1 in complex with inhibitor | 分子名称: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Mima, M, Fujimoto, N, Imai, Y. | 登録日 | 2023-07-03 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor. Bioorg.Med.Chem., 93, 2023
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7UGW
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![BU of 7ugw by Molmil](/molmil-images/mine/7ugw) | M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin | 分子名称: | DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ... | 著者 | Hauk, G, Imai, Y, Lewis, K, Berger, J.M. | 登録日 | 2022-03-25 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis. Nat.Chem.Biol., 18, 2022
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7W6X
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1WY9
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![BU of 1wy9 by Molmil](/molmil-images/mine/1wy9) | Crystal structure of microglia-specific protein, Iba1 | 分子名称: | Allograft inflammatory factor 1, CALCIUM ION | 著者 | Yamada, M, Imai, Y, Kohsaka, S, Kamitori, S. | 登録日 | 2005-02-09 | 公開日 | 2006-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | X-ray Structures of the Microglia/Macrophage-specific Protein Iba1 from Human and Mouse Demonstrate Novel Molecular Conformation Change Induced by Calcium binding J.Mol.Biol., 364, 2006
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7NRF
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![BU of 7nrf by Molmil](/molmil-images/mine/7nrf) | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2) | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | 著者 | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | 登録日 | 2021-03-03 | 公開日 | 2021-04-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
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7NRE
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![BU of 7nre by Molmil](/molmil-images/mine/7nre) | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1) | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | 著者 | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | 登録日 | 2021-03-03 | 公開日 | 2021-04-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
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7NRI
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![BU of 7nri by Molmil](/molmil-images/mine/7nri) | Structure of the darobactin-bound E. coli BAM complex (BamABCDE) | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | 著者 | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | 登録日 | 2021-03-03 | 公開日 | 2021-04-21 | 最終更新日 | 2021-05-19 | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | 主引用文献 | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
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2CYX
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![BU of 2cyx by Molmil](/molmil-images/mine/2cyx) | Structure of human ubiquitin-conjugating enzyme E2 G2 (UBE2G2/UBC7) | 分子名称: | Ubiquitin-conjugating enzyme E2 G2 | 著者 | Yoshikawa, S, Arai, R, Murayama, K, Imai, Y, Takahashi, R, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2005-07-08 | 公開日 | 2006-04-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Structure of human ubiquitin-conjugating enzyme E2 G2 (UBE2G2/UBC7) Acta Crystallogr.,Sect.F, 62, 2006
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7W71
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7W70
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7M17
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![BU of 7m17 by Molmil](/molmil-images/mine/7m17) | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | 著者 | Kern, D.M, Gerber, E.E, Brohawn, S.G. | 登録日 | 2021-03-12 | 公開日 | 2021-03-24 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | 主引用文献 | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes. Nat Commun, 13, 2022
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7M19
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![BU of 7m19 by Molmil](/molmil-images/mine/7m19) | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2) | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | 著者 | Kern, D.M, Gerber, E.E, Brohawn, S.G. | 登録日 | 2021-03-12 | 公開日 | 2021-03-24 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (3.69 Å) | 主引用文献 | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes. Nat Commun, 13, 2022
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8K5W
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![BU of 8k5w by Molmil](/molmil-images/mine/8k5w) | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | 分子名称: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation. Bioorg.Med.Chem.Lett., 97, 2023
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8K5Y
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![BU of 8k5y by Molmil](/molmil-images/mine/8k5y) | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | 分子名称: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation. Bioorg.Med.Chem.Lett., 97, 2023
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8K5V
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![BU of 8k5v by Molmil](/molmil-images/mine/8k5v) | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | 分子名称: | 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation. Bioorg.Med.Chem.Lett., 97, 2023
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8K5X
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![BU of 8k5x by Molmil](/molmil-images/mine/8k5x) | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | 分子名称: | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation. Bioorg.Med.Chem.Lett., 97, 2023
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5T8J
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5T8E
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5UR7
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3WIX
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![BU of 3wix by Molmil](/molmil-images/mine/3wix) | Crystal structure of Mcl-1 in complex with compound 4 | 分子名称: | 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Sogabe, S, Igaki, S, Hayano, Y. | 登録日 | 2013-09-26 | 公開日 | 2013-11-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins. J.Med.Chem., 56, 2013
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3WIY
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![BU of 3wiy by Molmil](/molmil-images/mine/3wiy) | Crystal structure of Mcl-1 in complex with compound 10 | 分子名称: | 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Sogabe, S, Igaki, S, Hayano, Y. | 登録日 | 2013-09-26 | 公開日 | 2013-11-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins. J.Med.Chem., 56, 2013
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