4Q21
 
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7NR3
 | | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | | Descriptor: | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M. | | Deposit date: | 2021-03-02 | | Release date: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
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7NR9
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7NR8
 | | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | | Descriptor: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | O'Reilly, M, Cleasby, A. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.627 Å) | | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
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7NR5
 | | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | | Descriptor: | (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.766 Å) | | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
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8I53
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7ZNT
 | | CRYSTAL STRUCTURE OF AT7 IN COMPLEX WITH THE SECOND BROMODOMAIN OF HUMAN BRD4 AND PVHL:ELONGINC:ELONGINB | | Descriptor: | (2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | | Authors: | Hughes, S.J, Casement, R, Ciulli, A. | | Deposit date: | 2022-04-22 | | Release date: | 2022-09-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders.
Nat.Chem.Biol., 19, 2023
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7QAZ
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6Z6F
 | | HDAC-PC | | Descriptor: | HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ... | | Authors: | Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. | | Deposit date: | 2020-05-28 | | Release date: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021
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6Z6H
 | | HDAC-DC | | Descriptor: | HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ... | | Authors: | Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. | | Deposit date: | 2020-05-28 | | Release date: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (8.55 Å) | | Cite: | Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021
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6Z6O
 | | HDAC-TC | | Descriptor: | HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ... | | Authors: | Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. | | Deposit date: | 2020-05-28 | | Release date: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021
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4ZF7
 | | Crystal structure of ferret interleukin-2 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Interleukin 2, PENTAETHYLENE GLYCOL, ... | | Authors: | Ren, B, Newman, J, McKinstry, W.J, Adams, T.E. | | Deposit date: | 2015-04-21 | | Release date: | 2015-11-04 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Structural and functional characterisation of ferret interleukin-2.
Dev.Comp.Immunol., 55, 2015
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3FQG
 | | Crystal Structure of the S. pombe Rai1 | | Descriptor: | MAGNESIUM ION, Protein din1 | | Authors: | Xiang, S, Tong, L. | | Deposit date: | 2009-01-07 | | Release date: | 2009-02-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1.
Nature, 458, 2009
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3FQD
 | | Crystal Structure of the S. pombe Rat1-Rai1 Complex | | Descriptor: | 5'-3' exoribonuclease 2, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Xiang, S, Tong, L. | | Deposit date: | 2009-01-07 | | Release date: | 2009-02-03 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1.
Nature, 458, 2009
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8T2R
 | | Structure of a group II intron ribonucleoprotein in the pre-ligation (pre-2F) state | | Descriptor: | 5'exon, AMMONIUM ION, CALCIUM ION, ... | | Authors: | Xu, L, Liu, T, Chung, K, Pyle, A.M. | | Deposit date: | 2023-06-06 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into intron catalysis and dynamics during splicing.
Nature, 624, 2023
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7R1Y
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6SIS
 | | Crystal structure of macrocyclic PROTAC 1 in complex with the second bromodomain of human Brd4 and pVHL:ElonginC:ElonginB | | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | | Authors: | Hughes, S.J, Testa, A, Ciulli, A. | | Deposit date: | 2019-08-10 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure-Based Design of a Macrocyclic PROTAC.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5FA5
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6SFI
 | | Crystal structure of p38 alpha in complex with compound 75 (MCP33) | | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6SFJ
 | | Crystal structure of p38 alpha in complex with compound 77 (MCP41) | | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.
J.Med.Chem., 62, 2019
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1VCB
 | | THE VHL-ELONGINC-ELONGINB STRUCTURE | | Descriptor: | PROTEIN (ELONGIN B), PROTEIN (ELONGIN C), PROTEIN (VHL) | | Authors: | Stebbins, C.E, Kaelin, W.G, Pavletich, N.P. | | Deposit date: | 1999-03-13 | | Release date: | 1999-04-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the VHL-ElonginC-ElonginB complex: implications for VHL tumor suppressor function.
Science, 284, 1999
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4F7T
 | | Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PB1 (498-505) | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | | Authors: | Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, Gao, G.F. | | Deposit date: | 2012-05-16 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals.
J.Virol., 86, 2012
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7L9P
 | | Structure of human SHLD2-SHLD3-REV7-TRIP13(E253Q) complex | | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pachytene checkpoint protein 2 homolog, ... | | Authors: | Xie, W, Patel, D.J. | | Deposit date: | 2021-01-04 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8QX9
 | | TDP-43 amyloid fibrils: Morphology-1a | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | | Deposit date: | 2023-10-24 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils.
Nat Commun, 15, 2024
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4WRQ
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