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3IB4
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BU of 3ib4 by Molmil
The double mutant of Beta-2 microglobulin K58P-W60G
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Beta-2-microglobulin
Authors:Colombo, M, Ricagno, S, Bolognesi, M.
Deposit date:2009-07-15
Release date:2010-07-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the Beta-2 microglobulin mutant K58P-W60G
To be Published
3TM6
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BU of 3tm6 by Molmil
Crystal structure of the beta-2 microglobulin DIMC50 disulphide-linked homodimer mutant
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION
Authors:Colombo, M, Ricagno, S, Bolognesi, M.
Deposit date:2011-08-31
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A recurrent D-strand association interface is observed in beta-2 microglobulin oligomers.
Febs J., 279, 2012
3TLR
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BU of 3tlr by Molmil
Crystal Structure of the tetrameric Beta-2 microglobulin DIMC20 mutant
Descriptor: Beta-2-microglobulin, CADMIUM ION, SODIUM ION
Authors:Colombo, M, Ricagno, S, Bolognesi, M.
Deposit date:2011-08-30
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A recurrent D-strand association interface is observed in beta-2 microglobulin oligomers.
Febs J., 279, 2012
4X8I
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BU of 4x8i by Molmil
de novo crystal structure of the Pyrococcus Furiosus TET3 aminopeptidase
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, COBALT (II) ION, ...
Authors:Colombo, M.
Deposit date:2014-12-10
Release date:2016-02-10
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tuned by metals: the TET peptidase activity is controlled by 3 metal binding sites.
Sci Rep, 6, 2016
5EQT
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BU of 5eqt by Molmil
crystal structure of the ATPase domain of PAN from Pyrococcus horikoshii
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Proteasome-activating nucleotidase, ...
Authors:Colombo, M.
Deposit date:2015-11-13
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:crystal structure of the ATPase domain of PAN from Pyrococcus horikoshii
To Be Published
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
3DHJ
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BU of 3dhj by Molmil
Beta 2 microglobulin mutant W60C
Descriptor: Beta-2-microglobulin
Authors:Ricagno, S, Colombo, M, de Rosa, M, Bolognesi, M, Giorgetti, S, Bellotti, V.
Deposit date:2008-06-18
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:DE loop mutations affect beta2-microglobulin stability and amyloid aggregation
Biochem.Biophys.Res.Commun., 377, 2008
3DHM
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BU of 3dhm by Molmil
Beta 2 microglobulin mutant D59P
Descriptor: Beta-2-microglobulin
Authors:Ricagno, S, Colombo, M, de Rosa, M, Bolognesi, M, Giorgetti, S, Bellotti, V.
Deposit date:2008-06-18
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DE loop mutations affect beta2-microglobulin stability and amyloid aggregation
Biochem.Biophys.Res.Commun., 377, 2008
2WIP
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BU of 2wip by Molmil
STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
Descriptor: 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ...
Authors:Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
Deposit date:2009-05-14
Release date:2009-07-28
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
2WIH
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BU of 2wih by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
Authors:Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
Deposit date:2009-05-13
Release date:2009-07-28
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
4D0X
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BU of 4d0x by Molmil
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
Descriptor: 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2
Authors:Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
Deposit date:2014-04-30
Release date:2014-07-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4D0W
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BU of 4d0w by Molmil
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
Descriptor: 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2
Authors:Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
Deposit date:2014-04-30
Release date:2014-07-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4D1S
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BU of 4d1s by Molmil
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
Descriptor: 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2
Authors:Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
Deposit date:2014-05-05
Release date:2014-07-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
7Q33
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BU of 7q33 by Molmil
Solution structure of RBM39 RRM2 bound to 5'-AGCUUUG-3
Descriptor: RNA (5'-R(*AP*GP*CP*UP*UP*UP*G)-3'), RNA-binding protein 39
Authors:Campagne, S, Allain, F.H.
Deposit date:2021-10-26
Release date:2023-02-08
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Molecular basis of RNA-binding and autoregulation by the cancer-associated splicing factor RBM39.
Nat Commun, 14, 2023
7ZAP
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BU of 7zap by Molmil
Solution structure of RBM39 RRM1 bound to U1 snRNA stem loop 3
Descriptor: RNA-binding protein 39, U1 snRNA SL3
Authors:Campagne, S, Allain, F.H.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Molecular basis of RNA-binding and autoregulation by the cancer-associated splicing factor RBM39.
Nat Commun, 14, 2023
6GBM
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BU of 6gbm by Molmil
Solution structure of FUS-RRM bound to stem-loop RNA
Descriptor: RNA (5'-R(*GP*GP*CP*AP*GP*AP*UP*UP*AP*CP*AP*AP*UP*UP*CP*UP*AP*UP*UP*UP*GP*CP*C)-3'), RNA-binding protein FUS
Authors:Loughlin, F.E, Allain, F.H.-T.
Deposit date:2018-04-15
Release date:2019-02-20
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:The Solution Structure of FUS Bound to RNA Reveals a Bipartite Mode of RNA Recognition with Both Sequence and Shape Specificity.
Mol. Cell, 73, 2019
6G99
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BU of 6g99 by Molmil
Solution structure of FUS-ZnF bound to UGGUG
Descriptor: RNA (5'-R(*UP*GP*GP*UP*G)-3'), RNA-binding protein FUS, ZINC ION
Authors:Loughlin, F.E, Allain, F.H.-T.
Deposit date:2018-04-10
Release date:2019-02-20
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:The Solution Structure of FUS Bound to RNA Reveals a Bipartite Mode of RNA Recognition with Both Sequence and Shape Specificity.
Mol. Cell, 73, 2019
3NA4
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BU of 3na4 by Molmil
D53P beta-2 microglobulin mutant
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Beta-2-microglobulin
Authors:Azinas, S, Ricagno, S, Bolognesi, M.
Deposit date:2010-06-01
Release date:2011-06-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:D-strand perturbation and amyloid propensity in beta-2 microglobulin
Febs J., 278, 2011
6SNJ
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BU of 6snj by Molmil
Solution structure of the FUS/TLS RNA recognition motif in complex with U1 snRNA stem loop III
Descriptor: RNA-binding protein FUS, U1 snRNA stem loop III, RNA (28-MER)
Authors:Campagne, S, Allain, F.H.
Deposit date:2019-08-26
Release date:2020-10-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Aberrant interaction of FUS with the U1 snRNA provides a molecular mechanism of FUS induced amyotrophic lateral sclerosis.
Nat Commun, 11, 2020

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