8TXL
 
 | |
5CQG
 | | Structure of Tribolium telomerase in complex with the highly specific inhibitor BIBR1532 | | Descriptor: | 2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid, Telomerase reverse transcriptase | | Authors: | Bryan, C, Rice, C, Hoffman, H, Harkisheimer, M, Sweeney, M, Skordalakes, E. | | Deposit date: | 2015-07-21 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Telomerase Inhibition by the Highly Specific BIBR1532.
Structure, 23, 2015
|
|
4Z4K
 | |
5YLT
 | | Crystal structure of SET7/9 in complex with a cyproheptadine derivative | | Descriptor: | 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H. | | Deposit date: | 2017-10-19 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine.
ChemMedChem, 13, 2018
|
|
7VDQ
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7 | | Descriptor: | 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ... | | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | Deposit date: | 2021-09-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
|
|
7VDS
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24 | | Descriptor: | 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ... | | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | Deposit date: | 2021-09-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
|
|
5Y3D
 | |
5YQG
 | | The structure of 14-3-3 and pNumb peptide | | Descriptor: | 14-3-3 protein eta, Peptide from Protein numb homolog | | Authors: | Chen, X, Liu, Z, Wen, W. | | Deposit date: | 2017-11-06 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural determinants controlling 14-3-3 recruitment to the endocytic adaptor Numb and dissociation of the Numb/alpha-adaptin complex.
J. Biol. Chem., 293, 2018
|
|
5Y7W
 | | Crystal structure of the Nco-A1 PAS-B domain with YL-2 | | Descriptor: | Nuclear receptor coactivator 1, YL-2 peptide | | Authors: | Lee, Y.J, Yoon, H.S, Lee, J.H, Bae, J.H, Song, J.Y, Lim, H.S. | | Deposit date: | 2017-08-18 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Targeted Inhibition of the NCOA1/STAT6 Protein-Protein Interaction
J. Am. Chem. Soc., 139, 2017
|
|
6PYT
 | | CryoEM Structure of Pyocin R2 - precontracted - trunk | | Descriptor: | Pyocin sheath PA0622, Pyocin tube PA0623 | | Authors: | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | | Deposit date: | 2019-07-30 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
|
|
4Z4M
 | |
1ZGY
 | | Structural and Biochemical Basis for Selective Repression of the Orphan Nuclear Receptor LRH-1 by SHP | | Descriptor: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Nuclear receptor subfamily 0, ... | | Authors: | Li, Y, Choi, M, Suino, K, Kovach, A, Daugherty, J, Kliewer, S.A, Xu, H.E. | | Deposit date: | 2005-04-22 | | Release date: | 2005-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and biochemical basis for selective repression of the orphan nuclear receptor liver receptor homolog 1 by small heterodimer partner.
Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
8G6R
 | | Porcine epidemic diarrhea virus core polymerase complex | | Descriptor: | RNA (5'-R(P*AP*AP*GP*AP*AP*GP*CP*UP*AP*UP*UP*AP*AP*AP*AP*UP*CP*AP*CP*A)-3'), RNA (5'-R(P*GP*GP*UP*UP*GP*UP*GP*AP*UP*UP*UP*UP*AP*AP*UP*AP*GP*CP*UP*U)-3'), ZINC ION, ... | | Authors: | Anderson, T.K, Kirchdoerfer, R.N. | | Deposit date: | 2023-02-15 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | An alphacoronavirus polymerase structure reveals conserved co-factor functions.
Biorxiv, 2023
|
|
8PTG
 | | Structure of the transcription termination factor Rho bound to RNA at the PBS and SBS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Said, N, Hilal, T, Wahl, M.C. | | Deposit date: | 2023-07-14 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Sm-like protein Rof inhibits transcription termination factor rho by binding site obstruction and conformational insulation.
Nat Commun, 15, 2024
|
|
7BY1
 | |
3VJI
 | | Human PPAR gamma ligand binding domain in complex with JKPL53 | | Descriptor: | (2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | | Deposit date: | 2011-10-20 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
|
|
6X0A
 | | X-ray structure of a chimeric ParDE toxin-antitoxin complex from Mesorhizobium opportunistum | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Plasmid stabilization system, Putative addiction module antidote protein, ... | | Authors: | Lite, T.L, Grant, R.A, Laub, M.T. | | Deposit date: | 2020-05-15 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Uncovering the basis of protein-protein interaction specificity with a combinatorially complete library.
Elife, 9, 2020
|
|
6Q6F
 | | Crystal structure of IDH1 R132H in complex with HMS101 | | Descriptor: | (2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine, Isocitrate dehydrogenase [NADP] cytoplasmic | | Authors: | Chaturvedi, A, Goparaju, R, Gupta, C, Kluenemann, T, Araujo Cruz, M.M, Kloos, A, Goerlich, K, Schottmann, R, Struys, E.A, Ganser, A, Preller, M, Heuser, M. | | Deposit date: | 2018-12-10 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | In vivo efficacy of mutant IDH1 inhibitor HMS-101 and structural resolution of distinct binding site.
Leukemia, 34, 2020
|
|
7BFX
 | | deoxyxylose nucleic acid hairpin | | Descriptor: | dXyNA (5'-D(*(XA)P*(XG)P*(XC)P*(XA)P*(XA)P*(XT)P*(XC)P*(XC)P*(XC)P*(XC)P*(XC)P*(XC)P*(XG)P*(XG)P*(XA)P*(XT)P*(XT)P*(XG)P*(XC)P*T)-3') | | Authors: | Mattelaer, C.-A, Mohitosh, M, Smets, L, Maiti, M, Schepers, G, Mattelaer, H.-P, Rosemeyer, H, Herdewijn, P, Lescrinier, E. | | Deposit date: | 2021-01-05 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-31 | | Method: | SOLUTION NMR | | Cite: | Stable Hairpin Structures Formed by Xylose-Based Nucleic Acids.
Chembiochem, 22, 2021
|
|
4ZMK
 | |
1R6G
 | | Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound | | Descriptor: | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1 | | Authors: | Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E. | | Deposit date: | 2003-10-15 | | Release date: | 2005-02-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta.
Bioorg.Med.Chem.Lett., 14, 2004
|
|
5U7G
 | | Crystal Structure of the Catalytic Core of CBP | | Descriptor: | CREB-binding protein, ZINC ION | | Authors: | Park, S, Stanfield, R.L, Martinez-Yamout, M.M, Dyson, H.J, Wilson, I.A, Wright, P.E. | | Deposit date: | 2016-12-12 | | Release date: | 2017-06-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Role of the CBP catalytic core in intramolecular SUMOylation and control of histone H3 acetylation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
8Q25
 | | Outward-facing, open1 proteoliposome complex I at 2.8 A, after deactivation treatment. Initially purified in LMNG. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
|
|
6Y2S
 | |
8Q1U
 | | Inward-facing, open1 proteoliposome complex I at 3.3 A, after deactivation treatment. Initially purified in LMNG. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
|
|
