5OK9
 
 | | CH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with swapped phosphopeptides | | Descriptor: | 14-3-3 protein sigma,Heat shock protein beta-6, DI(HYDROXYETHYL)ETHER | | Authors: | Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A. | | Deposit date: | 2017-07-25 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners.
Sci Rep, 7, 2017
|
|
5OEH
 | | Molecular tweezers modulate 14-3-3 protein-protein interactions. | | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Bier, D, Ottmann, C. | | Deposit date: | 2017-07-07 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular tweezers modulate 14-3-3 protein-protein interactions.
Nat Chem, 5, 2013
|
|
3CRI
 | | Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ser, Glu82Asn and Lys101Ala | | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION | | Authors: | Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
|
|
5QSA
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434778 | | Descriptor: | 2-(trifluoromethoxy)benzoic acid, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
3CRH
 | | Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ser and Lys101Ala | | Descriptor: | Heparin-binding growth factor 1, SULFATE ION | | Authors: | Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M. | | Deposit date: | 2008-04-07 | | Release date: | 2009-02-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
|
|
5QSG
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434903 | | Descriptor: | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
4TTH
 | | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | | Descriptor: | 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6 | | Authors: | Piper, D.E, Walker, N, Wang, Z. | | Deposit date: | 2014-06-20 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
|
|
5QS8
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z1432018343 | | Descriptor: | (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
5QSJ
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z198194394 | | Descriptor: | 4-(4-fluorophenyl)piperazine-1-carboxamide, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
3BAV
 | |
4S3O
 | | PCGF5-RING1B-UbcH5c complex | | Descriptor: | E3 ubiquitin-protein ligase RING2, Polycomb group RING finger protein 5, Ubiquitin-conjugating enzyme E2 D3, ... | | Authors: | Taherbhoy, A.M, Cochran, A.G. | | Deposit date: | 2015-03-23 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | BMI1-RING1B is an autoinhibited RING E3 ubiquitin ligase.
Nat Commun, 6, 2015
|
|
3BB2
 | |
6XVW
 | |
7S1Q
 | | PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (Compound 9) | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | | Deposit date: | 2021-09-02 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
|
|
7SER
 | | PRMT5/MEP50 with compound 30 bound | | Descriptor: | (2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | | Deposit date: | 2021-10-01 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
|
|
7SES
 | | PRMT5/MEP50 with compound 29 bound | | Descriptor: | (2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | | Deposit date: | 2021-10-01 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
|
|
7S1S
 | | PRMT5/MEP50 crystal structure with MTA and MRTX-1719 bound | | Descriptor: | (7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. | | Deposit date: | 2021-09-02 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
|
|
7S1R
 | | PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (compound (M)-31) | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5, ... | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. | | Deposit date: | 2021-09-02 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
|
|
5R4O
 | | PanDDA analysis group deposition of ground-state model of BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-25 | | Release date: | 2020-04-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
|
|
7S1P
 | | PRMT5/MEP50 crystal structure with sinefungin bound | | Descriptor: | Methylosome protein 50, Protein arginine N-methyltransferase 5, SINEFUNGIN | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. | | Deposit date: | 2021-09-02 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
|
|
6UFR
 | | Structure of recombinantly assembled E46K alpha-synuclein fibrils | | Descriptor: | Alpha-synuclein | | Authors: | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Li, B, Jiang, L. | | Deposit date: | 2019-09-24 | | Release date: | 2020-02-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | The alpha-synuclein hereditary mutation E46K unlocks a more stable, pathogenic fibril structure.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6AZE
 | |
3BAG
 | |
3BAQ
 | |
3M9J
 | |
