Author results

2BMC
  • Download 2bmc
  • View 2bmc
Molmil generated image of 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:2019-04-03
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
2V7A
  • Download 2v7a
  • View 2v7a
Molmil generated image of 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:2019-04-03
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
2X9E
  • Download 2x9e
  • View 2x9e
Molmil generated image of 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
2XRU
  • Download 2xru
  • View 2xru
Molmil generated image of 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
3IQE
  • Download 3iqe
  • View 3iqe
Molmil generated image of 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
3IQF
  • Download 3iqf
  • View 3iqf
Molmil generated image of 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
3IQZ
  • Download 3iqz
  • View 3iqz
Molmil generated image of 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
4GVQ
  • Download 4gvq
  • View 4gvq
Molmil generated image of 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
4GVR
  • Download 4gvr
  • View 4gvr
Molmil generated image of 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
4GVS
  • Download 4gvs
  • View 4gvs
Molmil generated image of 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
4OMF
  • Download 4omf
  • View 4omf
Molmil generated image of 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
2J4Z
  • Download 2j4z
  • View 2j4z
Molmil generated image of 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
2J50
  • Download 2j50
  • View 2j50
Molmil generated image of 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
3H65
  • Download 3h65
  • View 3h65
Molmil generated image of 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