1FQY
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![BU of 1fqy by Molmil](/molmil-images/mine/1fqy) | STRUCTURE OF AQUAPORIN-1 AT 3.8 A RESOLUTION BY ELECTRON CRYSTALLOGRAPHY | Descriptor: | AQUAPORIN-1 | Authors: | Murata, K, Mitsuoka, K, Hirai, T, Walz, T, Agre, P, Heymann, J.B, Engel, A, Fujiyoshi, Y. | Deposit date: | 2000-09-07 | Release date: | 2000-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON CRYSTALLOGRAPHY (3.8 Å) | Cite: | Structural determinants of water permeation through aquaporin-1. Nature, 407, 2000
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3WYY
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![BU of 3wyy by Molmil](/molmil-images/mine/3wyy) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide | Descriptor: | (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y. | Deposit date: | 2014-09-10 | Release date: | 2015-04-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity. Bioorg.Med.Chem., 23, 2015
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1GE6
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![BU of 1ge6 by Molmil](/molmil-images/mine/1ge6) | ZINC PEPTIDASE FROM GRIFOLA FRONDOSA | Descriptor: | PEPTIDYL-LYS METALLOENDOPEPTIDASE, ZINC ION, alpha-D-mannopyranose | Authors: | Hori, T, Kumasaka, T, Yamamoto, M, Nonaka, T, Tanaka, N, Hashimoto, Y, Ueki, T, Takio, K. | Deposit date: | 2000-10-11 | Release date: | 2001-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a new 'aspzincin' metalloendopeptidase from Grifola frondosa: implications for the catalytic mechanism and substrate specificity based on several different crystal forms. Acta Crystallogr.,Sect.D, 57, 2001
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1GEM
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![BU of 1gem by Molmil](/molmil-images/mine/1gem) | STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM | Descriptor: | CYTOCHROME P450CAM, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, D.-S, Park, S.-Y, Yamane, K, Shiro, Y. | Deposit date: | 2000-11-13 | Release date: | 2000-12-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of n-butyl-isocyanide complexes of cytochromes P450nor and P450cam. Biochemistry, 40, 2001
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3WZJ
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![BU of 3wzj by Molmil](/molmil-images/mine/3wzj) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide | Descriptor: | 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | Deposit date: | 2014-09-29 | Release date: | 2015-02-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. J.Med.Chem., 58, 2015
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1GEK
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![BU of 1gek by Molmil](/molmil-images/mine/1gek) | STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM | Descriptor: | CYTOCHROME P450CAM, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, D.-S, Park, S.-Y, Yamane, K, Shiro, Y. | Deposit date: | 2000-11-13 | Release date: | 2000-12-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural characterization of n-butyl-isocyanide complexes of cytochromes P450nor and P450cam. Biochemistry, 40, 2001
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3WYX
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![BU of 3wyx by Molmil](/molmil-images/mine/3wyx) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile | Descriptor: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | Deposit date: | 2014-09-09 | Release date: | 2015-04-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity. Bioorg.Med.Chem., 23, 2015
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3WZK
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![BU of 3wzk by Molmil](/molmil-images/mine/3wzk) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | Deposit date: | 2014-09-29 | Release date: | 2015-02-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. J.Med.Chem., 58, 2015
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1GE5
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![BU of 1ge5 by Molmil](/molmil-images/mine/1ge5) | ZINC PEPTIDASE FROM GRIFOLA FRONDOSA | Descriptor: | PEPTIDYL-LYS METALLOENDOPEPTIDASE, ZINC ION, alpha-D-mannopyranose | Authors: | Hori, T, Kumasaka, T, Yamamoto, M, Nonaka, T, Tanaka, N, Hashimoto, Y, Ueki, T, Takio, K. | Deposit date: | 2000-10-11 | Release date: | 2001-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a new 'aspzincin' metalloendopeptidase from Grifola frondosa: implications for the catalytic mechanism and substrate specificity based on several different crystal forms. Acta Crystallogr.,Sect.D, 57, 2001
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1G12
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![BU of 1g12 by Molmil](/molmil-images/mine/1g12) | ZINC PEPTIDASE FROM GRIFOLA FRONDOSA | Descriptor: | PEPTIDYL-LYS METALLOENDOPEPTIDASE, ZINC ION, alpha-D-mannopyranose | Authors: | Hori, T, Kumasaka, T, Yamamoto, M, Nonaka, T, Tanaka, N, Hashimoto, Y, Ueki, T, Takio, K. | Deposit date: | 2000-10-10 | Release date: | 2001-03-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of a new 'aspzincin' metalloendopeptidase from Grifola frondosa: implications for the catalytic mechanism and substrate specificity based on several different crystal forms. Acta Crystallogr.,Sect.D, 57, 2001
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1GE7
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![BU of 1ge7 by Molmil](/molmil-images/mine/1ge7) | ZINC PEPTIDASE FROM GRIFOLA FRONDOSA | Descriptor: | PEPTIDYL-LYS METALLOENDOPEPTIDASE, ZINC ION, alpha-D-mannopyranose | Authors: | Hori, T, Kumasaka, T, Yamamoto, M, Nonaka, T, Tanaka, N, Hashimoto, Y, Ueki, T, Takio, K. | Deposit date: | 2000-10-11 | Release date: | 2001-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a new 'aspzincin' metalloendopeptidase from Grifola frondosa: implications for the catalytic mechanism and substrate specificity based on several different crystal forms. Acta Crystallogr.,Sect.D, 57, 2001
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1GED
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![BU of 1ged by Molmil](/molmil-images/mine/1ged) | A positive charge route for the access of nadh to heme formed in the distal heme pocket of cytochrome p450nor | Descriptor: | BROMIDE ION, CYTOCHROME P450 55A1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kudo, T, Takaya, N, Park, S.-Y, Shiro, Y, Shoun, H. | Deposit date: | 2000-11-02 | Release date: | 2000-11-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A positively charged cluster formed in the heme-distal pocket of cytochrome P450nor is essential for interaction with NADH J.Biol.Chem., 276, 2001
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1GE8
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![BU of 1ge8 by Molmil](/molmil-images/mine/1ge8) | |
2RVL
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![BU of 2rvl by Molmil](/molmil-images/mine/2rvl) | |
2STD
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![BU of 2std by Molmil](/molmil-images/mine/2std) | SCYTALONE DEHYDRATASE COMPLEXED WITH TIGHT-BINDING INHIBITOR CARPROPAMID | Descriptor: | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, SCYTALONE DEHYDRATASE, SULFATE ION | Authors: | Nakasako, M, Motoyama, T, Kurahashi, Y, Yamaguchi, I. | Deposit date: | 1997-12-21 | Release date: | 1999-02-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cryogenic X-ray crystal structure analysis for the complex of scytalone dehydratase of a rice blast fungus and its tight-binding inhibitor, carpropamid: the structural basis of tight-binding inhibition. Biochemistry, 37, 1998
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1GCU
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![BU of 1gcu by Molmil](/molmil-images/mine/1gcu) | |
5E8D
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![BU of 5e8d by Molmil](/molmil-images/mine/5e8d) | Crystal structure of human epiregulin in complex with the Fab fragment of murine monoclonal antibody 9E5 | Descriptor: | CHLORIDE ION, GLYCEROL, Proepiregulin, ... | Authors: | Kado, Y, Mizohata, E, Nagatoishi, S, Iijima, M, Shinoda, K, Miyafusa, T, Nakayama, T, Yoshizumi, T, Sugiyama, A, Kawamura, T, Lee, Y.H, Matsumura, H, Doi, H, Fujitani, H, Kodama, T, Shibasaki, Y, Tsumoto, K, Inoue, T. | Deposit date: | 2015-10-14 | Release date: | 2015-12-09 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Epiregulin Recognition Mechanisms by Anti-epiregulin Antibody 9E5: STRUCTURAL, FUNCTIONAL, AND MOLECULAR DYNAMICS SIMULATION ANALYSES J.Biol.Chem., 291, 2016
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4U72
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![BU of 4u72 by Molmil](/molmil-images/mine/4u72) | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant) | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | Deposit date: | 2014-07-30 | Release date: | 2015-09-02 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase to be published
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4U74
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![BU of 4u74 by Molmil](/molmil-images/mine/4u74) | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A mutant) | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | Deposit date: | 2014-07-30 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase to be published
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1V9J
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![BU of 1v9j by Molmil](/molmil-images/mine/1v9j) | Solution structure of a BolA-like protein from Mus musculus | Descriptor: | BolA-like protein RIKEN cDNA 1110025L05 | Authors: | Kasai, T, Inoue, M, Koshiba, S, Yabuki, T, Aoki, M, Nunokawa, E, Seki, E, Matsuda, T, Matsuda, N, Tomo, Y, Shirouzu, M, Terada, T, Obayashi, N, Hamana, H, Shinya, N, Tatsuguchi, A, Yasuda, S, Yoshida, M, Hirota, H, Matsuo, Y, Tani, K, Suzuki, H, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-26 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a BolA-like protein from Mus musculus Protein Sci., 13, 2004
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2XZB
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![BU of 2xzb by Molmil](/molmil-images/mine/2xzb) | Pig Gastric H,K-ATPase with bound BeF and SCH28080 | Descriptor: | POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1, POTASSIUM-TRANSPORTING ATPASE SUBUNIT BETA | Authors: | Abe, K, Tani, K, Fujiyoshi, Y. | Deposit date: | 2010-11-24 | Release date: | 2011-01-26 | Last modified: | 2020-09-16 | Method: | ELECTRON CRYSTALLOGRAPHY (7 Å) | Cite: | Conformational Rearrangement of Gastric H(+),K(+)- ATPase Induced by an Acid Suppressant. Nat.Commun., 2, 2011
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2YQH
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![BU of 2yqh by Molmil](/molmil-images/mine/2yqh) | Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the substrate-binding form | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A. | Deposit date: | 2007-03-30 | Release date: | 2007-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism J.Biol.Chem., 282, 2007
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2YN9
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![BU of 2yn9 by Molmil](/molmil-images/mine/2yn9) | Cryo-EM structure of gastric H+,K+-ATPase with bound rubidium | Descriptor: | POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1, POTASSIUM-TRANSPORTING ATPASE SUBUNIT BETA | Authors: | Abe, K, Tani, K, Friedrich, T, Fujiyoshi, Y. | Deposit date: | 2012-10-13 | Release date: | 2012-11-07 | Last modified: | 2014-07-16 | Method: | ELECTRON CRYSTALLOGRAPHY (8 Å) | Cite: | Cryo-Em Structure of Gastric H+,K+-ATPase with a Single Occupied Cation-Binding Site. Proc.Natl.Acad.Sci.USA, 109, 2012
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8X6R
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![BU of 8x6r by Molmil](/molmil-images/mine/8x6r) | KRasG12C in complex with inhibitor | Descriptor: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2023-11-21 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors. Bioorg.Med.Chem., 98, 2023
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5B40
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![BU of 5b40 by Molmil](/molmil-images/mine/5b40) | The nucleosome structure containing H2B-K120 and H4-K31 monoubiquitinations | Descriptor: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Machida, S, Sekine, S, Nishiyama, Y, Horikoshi, N, Kurumizaka, H. | Deposit date: | 2016-03-22 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Monoubiquitination of histones H2B and H4 changes the nucleosome stability without affecting the nucleosome structure To Be Published
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