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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
1KNP
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BU of 1knp by Molmil
E. coli L-aspartate oxidase: mutant R386L in complex with succinate
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, L-aspartate oxidase, SODIUM ION, ...
Authors:Bossi, R.T, Mattevi, A.
Deposit date:2001-12-19
Release date:2002-04-17
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of FAD-bound L-aspartate oxidase: insight into substrate specificity and catalysis.
Biochemistry, 41, 2002
1KNR
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BU of 1knr by Molmil
L-aspartate oxidase: R386L mutant
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, L-aspartate oxidase, ...
Authors:Bossi, R.T, Mattevi, A.
Deposit date:2001-12-19
Release date:2002-04-17
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of FAD-bound L-aspartate oxidase: insight into substrate specificity and catalysis.
Biochemistry, 41, 2002
1LQT
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BU of 1lqt by Molmil
A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase
Descriptor: 4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Bossi, R.T, Aliverti, A, Raimondi, D, Fischer, F, Zanetti, G, Ferrari, D, Tahallah, N, Maier, C.S, Heck, A.J.R, Rizzi, M, Mattevi, A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-05-13
Release date:2002-07-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase.
Biochemistry, 41, 2002
1LQU
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BU of 1lqu by Molmil
Mycobacterium tuberculosis FprA in complex with NADPH
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, FprA, ...
Authors:Bossi, R.T, Aliverti, A, Raimondi, D, Fischer, F, Zanetti, G, Ferrari, D, Tahallah, N, Maier, C.S, Heck, A.J.R, Rizzi, M, Mattevi, A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-05-13
Release date:2002-07-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase.
Biochemistry, 41, 2002
3KB7
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BU of 3kb7 by Molmil
Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor
Descriptor: 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, L(+)-TARTARIC ACID, Serine/threonine-protein kinase PLK1, ...
Authors:Bossi, R.T, Bertrand, J.A.
Deposit date:2009-10-20
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors
J.Med.Chem., 53, 2010
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
2YAC
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BU of 2yac by Molmil
Crystal structure of Polo-like kinase 1 in complex with NMS-P937
Descriptor: 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ...
Authors:Bertrand, J.A, Bossi, R.T.
Deposit date:2011-02-18
Release date:2011-04-06
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nms-P937, a 4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline Derivative as Potent and Selective Polo-Like Kinase 1 Inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
1EA0
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BU of 1ea0 by Molmil
Alpha subunit of A. brasilense glutamate synthase
Descriptor: 2-OXOGLUTARIC ACID, FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Binda, C, Bossi, R.T, Vanoni, M.A, Mattevi, A.
Deposit date:2000-11-02
Release date:2001-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cross-Talk and Ammonia Channeling between Active Centers in the Unexpected Domain Arrangement of Glutamate Synthase
Structure, 8, 2000
1LLZ
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BU of 1llz by Molmil
Structural studies on the synchronization of catalytic centers in glutamate synthase: reduced enzyme
Descriptor: FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, Ferredoxin-dependent glutamate synthase
Authors:van den Heuvel, R.H, Ferrari, D, Bossi, R.T, Ravasio, S, Curti, B, Vanoni, M.A, Florencio, F.J, Mattevi, A.
Deposit date:2002-04-30
Release date:2002-07-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural studies on the synchronization of catalytic centers in glutamate synthase
J.BIOL.CHEM., 277, 2002
1LLW
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BU of 1llw by Molmil
Structural studies on the synchronization of catalytic centers in glutamate synthase: complex with 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:van den Heuvel, R.H, Ferrari, D, Bossi, R.T, Ravasio, S, Curti, B, Vanoni, M.A, Florencio, F.J, Mattevi, A.
Deposit date:2002-04-30
Release date:2002-07-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies on the synchronization of catalytic centers in glutamate synthase
J.BIOL.CHEM., 277, 2002
1LM1
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BU of 1lm1 by Molmil
Structural studies on the synchronization of catalytic centers in glutamate synthase: native enzyme
Descriptor: ACETATE ION, FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:van Den Heuvel, R.H, Ferrari, D, Bossi, R.T, Ravasio, S, Curti, B, Vanoni, M.A, Florencio, F.J, Mattevi, A.
Deposit date:2002-04-30
Release date:2002-07-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural studies on the synchronization of catalytic centers in glutamate synthase
J.BIOL.CHEM., 277, 2002
3DU8
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BU of 3du8 by Molmil
Crystal structure of GSK-3 beta in complex with NMS-869553A
Descriptor: (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Glycogen synthase kinase-3 beta
Authors:Bossi, R.T.
Deposit date:2008-07-17
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery.
J.Med.Chem., 52, 2009
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
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
4A4L
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BU of 4a4l by Molmil
CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR
Descriptor: 1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ...
Authors:Bertrand, J.A, Bossi, R.T.
Deposit date:2011-10-17
Release date:2012-01-11
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4A4O
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BU of 4a4o by Molmil
CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR
Descriptor: 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ...
Authors:Bertrand, J.A, Bossi, R.T.
Deposit date:2011-10-18
Release date:2012-01-11
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012

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