4OMF
 
 | | The F420-reducing [NiFe]-hydrogenase complex from Methanothermobacter marburgensis, the first X-ray structure of a group 3 family member | | 分子名称: | CHLORIDE ION, F420-reducing hydrogenase, subunit alpha, ... | | 著者 | Vitt, S, Ma, K, Warkentin, E, Moll, J, Pierik, A, Shima, S, Ermler, U. | | 登録日 | 2014-01-27 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | The F420-Reducing [NiFe]-Hydrogenase Complex from Methanothermobacter marburgensis, the First X-ray Structure of a Group 3 Family Member.
J.Mol.Biol., 426, 2014
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2V7A
 | | Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | | 分子名称: | MAGNESIUM ION, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | | 著者 | Modugno, M, Casale, E, Soncini, C, Rosettani, P, Colombo, R, Lupi, R, Rusconi, L, Fancelli, D, Carpinelli, P, Cameron, A.D, Isacchi, A, Moll, J. | | 登録日 | 2007-07-27 | | 公開日 | 2007-09-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358.
Cancer Res., 67, 2007
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2X9E
 | | HUMAN MPS1 IN COMPLEX WITH NMS-P715 | | 分子名称: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | | 著者 | Colombo, R, Caldarelli, M, Mennecozzi, M, Giorgini, M.L, Sola, F, Cappella, P, Perrera, C, DePaolini, S.R, Rusconi, L, Cucchi, U, Avanzi, N, Bertrand, J.A, Bossi, R.T, Pesenti, E, Galvani, A, Isacchi, A, Colotta, F, Donati, D, Moll, J. | | 登録日 | 2010-03-17 | | 公開日 | 2010-12-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase.
Cancer Res., 70, 2010
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2XRU
 | | AURORA-A T288E COMPLEXED WITH PHA-828300 | | 分子名称: | 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | | 著者 | Bindi, S, Fancelli, D, Alli, C, Berta, D, Bertrand, J.A, Cameron, A.D, Cappella, P, Carpinelli, P, Cervi, G, Croci, W, D'Anello, M, Forte, B, LauraGiorgini, M, Marsiglio, A, Moll, J, Pesenti, E, Pittala, V, Pulici, M, Riccardi-Sirtori, F, Roletto, F, Soncini, C, Storici, P, Varasi, M, Volpi, D, Zugnoni, P, Vianello, P. | | 登録日 | 2010-09-22 | | 公開日 | 2010-09-29 | | 最終更新日 | 2019-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18, 2010
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4GVQ
 | | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with tetrahydromethanpterin | | 分子名称: | 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol, Methenyltetrahydromethanopterin cyclohydrolase | | 著者 | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | | 登録日 | 2012-08-31 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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4GVR
 | | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase | | 分子名称: | Methenyltetrahydromethanopterin cyclohydrolase | | 著者 | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | | 登録日 | 2012-08-31 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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4GVS
 | | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with N5-formyl-tetrahydromethanopterin | | 分子名称: | 1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, Methenyltetrahydromethanopterin cyclohydrolase | | 著者 | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | | 登録日 | 2012-08-31 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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2BMC
 | | Aurora-2 T287D T288D complexed with PHA-680632 | | 分子名称: | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6 | | 著者 | Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P. | | 登録日 | 2005-03-11 | | 公開日 | 2005-03-17 | | 最終更新日 | 2019-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.
J.Med.Chem., 48, 2005
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3IQZ
 | | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin | | 分子名称: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ... | | 著者 | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | | 登録日 | 2009-08-21 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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3IQE
 | | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin and coenzyme F420 | | 分子名称: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, COENZYME F420, ... | | 著者 | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | | 登録日 | 2009-08-20 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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3IQF
 | | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methenyl-tetrahydromethanopterin | | 分子名称: | 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ... | | 著者 | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | | 登録日 | 2009-08-20 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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6SFR
 | | SOS1 in Complex with Inhibitor BI-68BS | | 分子名称: | 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | | 著者 | Kessler, D, Fischer, G, Ramharter, J. | | 登録日 | 2019-08-02 | | 公開日 | 2020-08-26 | | 最終更新日 | 2021-06-02 | | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | | 主引用文献 | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
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6SCM
 | | SOS1 in Complex with Inhibitor BI-3406 | | 分子名称: | 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ... | | 著者 | Kessler, D, Fischer, G, Ramharter, J. | | 登録日 | 2019-07-24 | | 公開日 | 2020-08-26 | | 最終更新日 | 2021-06-02 | | 実験手法 | X-RAY DIFFRACTION (1.866 Å) | | 主引用文献 | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
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6QTJ
 | | Crystal structure of human CDK8/CYCC in complex with BI 919811 | | 分子名称: | Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide | | 著者 | Boettcher, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
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6QTG
 | | Crystal structure of human CDK8/CYCC in complex with BI-1347 | | 分子名称: | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide, Cyclin-C, Cyclin-dependent kinase 8 | | 著者 | Boettcher, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
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6R3S
 | | CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 | | 分子名称: | 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ... | | 著者 | Boettcher, J. | | 登録日 | 2019-03-21 | | 公開日 | 2020-04-08 | | 最終更新日 | 2020-04-22 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
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2J4Z
 | | Structure of Aurora-2 in complex with PHA-680626 | | 分子名称: | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC, SERINE THREONINE-PROTEIN KINASE 6 | | 著者 | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | | 登録日 | 2006-09-08 | | 公開日 | 2006-11-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem., 49, 2006
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2J50
 | | Structure of Aurora-2 in complex with PHA-739358 | | 分子名称: | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION | | 著者 | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | | 登録日 | 2006-09-08 | | 公開日 | 2006-11-06 | | 最終更新日 | 2019-04-03 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | 1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.
J.Med.Chem., 49, 2006
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3H65
 | | The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme in Complex with Methylenetetrahydromethanopterin | | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, ... | | 著者 | Hiromoto, T, Warkentin, E, Shima, S, Ermler, U. | | 登録日 | 2009-04-23 | | 公開日 | 2009-09-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The crystal structure of an [Fe]-hydrogenase-substrate complex reveals the framework for H2 activation.
Angew.Chem.Int.Ed.Engl., 48, 2009
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