2BMC | | AURORA-2 T287D T288D COMPLEXED WITH PHA-680632 | | Descriptor: | SERINE THREONINE-PROTEIN KINASE 6, (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE | | Authors: | 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. | | Deposit date: | 2005-03-11 | | Release date: | 2005-03-17 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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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2V7A | | CRYSTAL STRUCTURE OF THE T315I ABL MUTANT IN COMPLEX WITH THE INHIBITOR PHA-739358 | | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, MAGNESIUM ION | | Authors: | 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. | | Deposit date: | 2007-07-27 | | Release date: | 2007-09-18 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2010-03-17 | | Release date: | 2010-12-29 | | Last modified: | 2019-03-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | 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 | | Descriptor: | SERINE/THREONINE-PROTEIN KINASE 6, 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE | | Authors: | 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. | | Deposit date: | 2010-09-22 | | Release date: | 2010-09-29 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18, 2010
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3IQE | | STRUCTURE OF F420 DEPENDENT METHYLENE-TETRAHYDROMETHANOPTERIN DEHYDROGENASE IN COMPLEX WITH METHYLENE-TETRAHYDROMETHANOPTERIN AND COENZYME F420 | | Descriptor: | F420-dependent methylenetetrahydromethanopterin dehydrogenase, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, COENZYME F420, ... | | Authors: | Ceh, K.E., Demmer, U., Warkentin, E., Moll, J., Thauer, R.K., Shima, S., Ermler, U. | | Deposit date: | 2009-08-20 | | Release date: | 2009-10-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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 | | Descriptor: | F420-dependent methylenetetrahydromethanopterin dehydrogenase, 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, ... | | Authors: | Ceh, K.E., Demmer, U., Warkentin, E., Moll, J., Thauer, R.K., Shima, S., Ermler, U. | | Deposit date: | 2009-08-20 | | Release date: | 2009-10-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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3IQZ | | STRUCTURE OF F420 DEPENDENT METHYLENE-TETRAHYDROMETHANOPTERIN DEHYDROGENASE IN COMPLEX WITH METHYLENE-TETRAHYDROMETHANOPTERIN | | Descriptor: | F420-dependent methylenetetrahydromethanopterin dehydrogenase, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, ... | | Authors: | Ceh, K.E., Demmer, U., Warkentin, E., Moll, J., Thauer, R.K., Shima, S., Ermler, U. | | Deposit date: | 2009-08-21 | | Release date: | 2009-10-06 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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4GVQ | | X-RAY STRUCTURE OF THE ARCHAEOGLOBUS FULGIDUS METHENYL-TETRAHYDROMETHANOPTERIN CYCLOHYDROLASE IN COMPLEX WITH TETRAHYDROMETHANPTERIN | | Descriptor: | Methenyltetrahydromethanopterin cyclohydrolase, 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 | | Authors: | Upadhyay, V., Demmer, U., Warkentin, E., Moll, J., Shima, S., Ermler, U. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-31 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 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 | | Descriptor: | Methenyltetrahydromethanopterin cyclohydrolase | | Authors: | Upadhyay, V., Demmer, U., Warkentin, E., Moll, J., Shima, S., Ermler, U. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-31 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | 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 | | Descriptor: | Methenyltetrahydromethanopterin cyclohydrolase, 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 | | Authors: | Upadhyay, V., Demmer, U., Warkentin, E., Moll, J., Shima, S., Ermler, U. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-31 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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4OMF | | THE F420-REDUCING [NIFE]-HYDROGENASE COMPLEX FROM METHANOTHERMOBACTER MARBURGENSIS, THE FIRST X-RAY STRUCTURE OF A GROUP 3 FAMILY MEMBER | | Descriptor: | F420-reducing hydrogenase, subunit gamma, subunit alpha, ... | | Authors: | Vitt, S., Ma, K., Warkentin, E., Moll, J., Pierik, A., Shima, S., Ermler, U. | | Deposit date: | 2014-01-27 | | Release date: | 2014-06-11 | | Last modified: | 2018-06-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | 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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2J4Z | | STRUCTURE OF AURORA-2 IN COMPLEX WITH PHA-680626 | | Descriptor: | SERINE THREONINE-PROTEIN KINASE 6, 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC | | Authors: | 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. | | Deposit date: | 2006-09-08 | | Release date: | 2006-11-06 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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 | | Descriptor: | SERINE/THREONINE-PROTEIN KINASE 6, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SULFATE ION | | Authors: | 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. | | Deposit date: | 2006-09-08 | | Release date: | 2006-11-06 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 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 | | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, FE (II) ION, ... | | Authors: | Hiromoto, T., Warkentin, E., Shima, S., Ermler, U. | | Deposit date: | 2009-04-23 | | Release date: | 2009-09-01 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 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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