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5FTQ
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BU of 5ftq by Molmil
Crystal structure of the ALK kinase domain in complex with Cmpd 17
Descriptor: ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE
Authors:Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P.
Deposit date:2016-01-14
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
5FTO
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BU of 5fto by Molmil
Crystal structure of the ALK kinase domain in complex with Entrectinib
Descriptor: ALK TYROSINE KINASE RECEPTOR, Entrectinib
Authors:Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P.
Deposit date:2016-01-14
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
1R0P
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BU of 1r0p by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met in complex with the microbial alkaloid K-252a
Descriptor: Hepatocyte growth factor receptor, K-252A
Authors:Schiering, N, Knapp, S, Marconi, M, Flocco, M.M, Cui, J, Perego, R, Rusconi, L, Cristiani, C.
Deposit date:2003-09-22
Release date:2003-10-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met and its complex with the microbial alkaloid K-252a
Proc.Natl.Acad.Sci.USA, 100, 2003
1R1W
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BU of 1r1w by Molmil
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET
Descriptor: HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:Schiering, N, Knapp, S, Marconi, M, Flocco, M.M, Cui, J, Perego, R, Rusconi, L, Cristiani, C.
Deposit date:2003-09-25
Release date:2003-10-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met and its complex with the microbial alkaloid K-252a
Proc.Natl.Acad.Sci.USA, 100, 2003
2V7A
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BU of 2v7a by Molmil
Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358
Descriptor: 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
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:2023-12-13
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
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BU of 2x9e by Molmil
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:2023-12-20
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
2XBA
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BU of 2xba by Molmil
Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429
Descriptor: 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium, ALK TYROSINE KINASE RECEPTOR
Authors:Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A.
Deposit date:2010-04-08
Release date:2010-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors.
Biochemistry, 49, 2010
2XB7
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BU of 2xb7 by Molmil
Structure of Human Anaplastic Lymphoma Kinase in complex with NVP- TAE684
Descriptor: 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, ALK TYROSINE KINASE RECEPTOR
Authors:Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A.
Deposit date:2010-04-08
Release date:2010-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors.
Biochemistry, 49, 2010
2JGC
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BU of 2jgc by Molmil
Structure of the human eIF4E homologous protein, 4EHP without ligand bound
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1
Authors:Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L.
Deposit date:2007-02-12
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
J. Mol. Biol., 368, 2007
2JGB
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BU of 2jgb by Molmil
Structure of human eIF4E homologous protein 4EHP with m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1
Authors:Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L.
Deposit date:2007-02-12
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
J. Mol. Biol., 368, 2007
3BLQ
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BU of 3blq by Molmil
Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 9, ...
Authors:Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
3BLH
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BU of 3blh by Molmil
Crystal Structure of Human CDK9/cyclinT1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein kinase 9, Cyclin-T1
Authors:Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
3BLR
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BU of 3blr by Molmil
Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol
Descriptor: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Cell division protein kinase 9, Cyclin-T1, ...
Authors:Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
2IVX
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BU of 2ivx by Molmil
Crystal structure of human cyclin T2 at 1.8 A resolution
Descriptor: 1,2-ETHANEDIOL, CYCLIN-T2
Authors:Debreczeni, J.E, Bullock, A.N, Fedorov, O, Savitsky, P, Berridge, G, Das, S, Pike, A.C.W, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Gorrec, F, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-06-21
Release date:2006-07-19
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation.
EMBO J., 27, 2008
2BMC
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BU of 2bmc by Molmil
Aurora-2 T287D T288D complexed with PHA-680632
Descriptor: (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
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
2J50
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BU of 2j50 by Molmil
Structure of Aurora-2 in complex with PHA-739358
Descriptor: 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
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
2J4Z
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BU of 2j4z by Molmil
Structure of Aurora-2 in complex with PHA-680626
Descriptor: 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
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:2023-12-13
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

217705

PDB entries from 2024-03-27

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