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3VZV
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CRYSTAL STRUCTURE OF HUMAN MDM2 WITH A DIHYDROIMIDAZOTHIAZOLE INHIBITOR
Descriptor:E3 ubiquitin-protein ligase Mdm2, 1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide
Authors:Shimizu, H., Katakura, S., Miyazaki, M., Naito, H., Sugimoto, Y., Kawato, H., Okayama, T., Soga, T.
Deposit date:2012-10-16
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Lead optimization of novel p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold
Bioorg.Med.Chem.Lett., 23, 2013
3W69
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CRYSTAL STRUCTURE OF HUMAN MDM2 WITH A DIHYDROIMIDAZOTHIAZOLE INHIBITOR
Descriptor:E3 ubiquitin-protein ligase Mdm2, (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole, SULFATE ION
Authors:Shimizu, H., Katakura, S., Miyazaki, M., Naito, H., Sugimoto, Y., Kawato, H., Okayama, T., Soga, T.
Deposit date:2013-02-12
Release date:2013-06-05
Last modified:2014-04-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and evaluation of novel orally active p53-MDM2 interaction inhibitors
Bioorg.Med.Chem., 21, 2013
5X1V
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PKM2 IN COMPLEX WITH COMPOUND 2
Descriptor:Pyruvate kinase PKM, BETA-FRUCTOSE-1,6-DIPHOSPHATE, 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2017-01-27
Release date:2017-05-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
5X1W
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PKM2 IN COMPLEX WITH COMPOUND 5
Descriptor:Pyruvate kinase PKM, BETA-FRUCTOSE-1,6-DIPHOSPHATE, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2017-01-27
Release date:2017-05-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
3ASX
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HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 1-{4-[{4-CHLORO-2-[(2-CHLOROPHENYL)(HYDROXY)METHYL]PHENYL}(2,2-DIMETHYLPROPYL)AMINO]-4-OXOBUTANOYL}PIPERIDINE-3-CARBOXYLIC ACID
Descriptor:Squalene synthase, PHOSPHATE ION, (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid
Authors:Shimizu, H., Suzuki, M., Katakura, S., Yamazaki, K., Higashihashi, N., Ichikawa, M., Yokomizo, A., Itoh, M., Sugita, K., Usui, H.
Deposit date:2010-12-22
Release date:2011-12-21
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
3Q2Z
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HUMAN SQUALENE SYNTHASE IN COMPLEX WITH N-[(3R,5S)-7-CHLORO-5-(2,3-DIMETHOXYPHENYL)-1-NEOPENTYL-2-OXO-1,2,3,5-TETRAHYDRO-4,1-BENZOXAZEPINE-3-ACETYL]-L-ASPARTIC ACID
Descriptor:Squalene synthase, PHOSPHATE ION, N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid
Authors:Suzuki, M., Shimizu, H., Katakura, S., Yamazaki, K., Higashihashi, N., Ichikawa, M., Yokomizo, A., Itoh, M., Sugita, K., Usui, H.
Deposit date:2010-12-21
Release date:2011-12-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
3Q30
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HUMAN SQUALENE SYNTHASE IN COMPLEX WITH (2R,3R)-2-CARBOXYMETHOXY-3-[5-(2-NAPHTHALENYL)PENTYL]AMINOCARBONYL-3-[5-(2-NAPHTHALENYL)PENTYLOXY]PROPIONIC ACID
Descriptor:Squalene synthase, MAGNESIUM ION, (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid, ...
Authors:Suzuki, M., Shimizu, H., Katakura, S., Yamazaki, K., Higashihashi, N., Ichikawa, M., Yokomizo, A., Itoh, M., Sugita, K., Usui, H.
Deposit date:2010-12-21
Release date:2011-12-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
4QBJ
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CRYSTAL STRUCTURE OF N-MYRISTOYL TRANSFERASE FROM ASPERGILLUS FUMIGATUS COMPLEXED WITH A SYNTHETIC INHIBITOR
Descriptor:Glycylpeptide N-tetradecanoyltransferase, SULFATE ION, S-(2-OXO)PENTADECYLCOA, ...
Authors:Suzuki, M., Shimada, T.
Deposit date:2014-05-08
Release date:2015-04-01
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of N-myristoyltransferase from Aspergillus fumigatus
Acta Crystallogr.,Sect.D, 71, 2015
1FAX
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COAGULATION FACTOR XA INHIBITOR COMPLEX
Descriptor:FACTOR XA, CALCIUM ION, (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid
Authors:Brandstetter, H., Engh, R.A.
Deposit date:1996-08-23
Release date:1997-10-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition.
J.Biol.Chem., 271, 1996