5LCK
| A Clickable Covalent ERK 1/2 Inhibitor | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide | Authors: | O'Reilly, M, Wright, D. | Deposit date: | 2016-06-22 | Release date: | 2016-07-20 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor. Mol Biosyst, 12, 2016
|
|
4M5R
| High-resolution influenza 2009 H1N1 endonuclease bound to 4-(1H-IMIDAZOL-1-YL)PHENOL | Descriptor: | 1,2-ETHANEDIOL, 4-(1H-IMIDAZOL-1-YL)PHENOL, MANGANESE (II) ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-08 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
|
|
4M5O
| 3-HYDROXY-6-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 H1N1 endonuclease | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-phenylpyridin-2(5H)-one, MANGANESE (II) ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-08 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
|
|
5WOZ
| |
6ZWO
| cryo-EM structure of human mTOR complex 2, focused on one half | Descriptor: | ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T. | Deposit date: | 2020-07-28 | Release date: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The 3.2- angstrom resolution structure of human mTORC2. Sci Adv, 6, 2020
|
|
7WVK
| Crystal structure of human WDR5 in complex with compound 19 | Descriptor: | 1,2-ETHANEDIOL, 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole, GLYCEROL, ... | Authors: | Han, Q.L, Zhang, X.L, Wang, L, Ren, P.X, Cao, Y, Li, K, Bai, F. | Deposit date: | 2022-02-10 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma. Acta Pharmacol.Sin., 44, 2023
|
|
5M25
| Modulation of MLL1 Methyltransferase Activity | Descriptor: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide, WD repeat-containing protein 5 | Authors: | Srinivasan, V. | Deposit date: | 2016-10-11 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Controlled inhibition of methyltransferases using photoswitchable peptidomimetics: towards an epigenetic regulation of leukemia. Chem Sci, 8, 2017
|
|
7ONB
| Structure of the U2 5' module of the A3'-SSA complex | Descriptor: | MINX, PHD finger-like domain-containing protein 5A, RNU2, ... | Authors: | Cretu, C, Pena, V. | Deposit date: | 2021-05-25 | Release date: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors. Nat Commun, 12, 2021
|
|
2QEQ
| |
1MIV
| Crystal structure of Bacillus stearothermophilus CCA-adding enzyme | Descriptor: | MAGNESIUM ION, tRNA CCA-adding enzyme | Authors: | Li, F, Xiong, Y, Wang, J, Cho, H.D, Weiner, A.M, Steitz, T.A. | Deposit date: | 2002-08-23 | Release date: | 2002-12-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structures of the Bacillus stearothermophilus CCA-adding enzyme and
its complexes with ATP or CTP Cell(Cambridge,Mass.), 111, 2002
|
|
1MIW
| Crystal structure of Bacillus stearothermophilus CCA-adding enzyme in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, tRNA CCA-adding enzyme | Authors: | Li, F, Xiong, Y, Wang, J, Cho, H.D, Weiner, A.M, Steitz, T.A. | Deposit date: | 2002-08-23 | Release date: | 2002-12-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of the Bacillus stearothermophilus CCA-adding enzyme and
its complexes with ATP or CTP Cell(Cambridge,Mass.), 111, 2002
|
|
6ZWP
| p38a bound with SR348 | Descriptor: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-28 | Release date: | 2020-08-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
|
|
6USO
| |
5O9Z
| |
5EIF
| |
5EKX
| DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11 | Descriptor: | 4-chloro-5-methylbenzene-1,2-diamine, NS5 METHYLTRANSFERASE, S-ADENOSYLMETHIONINE | Authors: | Barral, K, Bricogne, G, Sharff, A. | Deposit date: | 2015-11-04 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design. Eur.J.Med.Chem., 125, 2016
|
|
5EHI
| |
5EIW
| DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2 | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, NS5 methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Barral, K, Bricogne, G, Sharff, A. | Deposit date: | 2015-10-30 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.611 Å) | Cite: | Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design. Eur.J.Med.Chem., 125, 2016
|
|
7OTL
| Structure of a psychrophilic CCA-adding enzyme crystallized by counter-diffusion | Descriptor: | CCA-adding enzyme, SULFATE ION | Authors: | Rollet, K, de Wijn, R, Hennig, O, Betat, H, Moerl, M, Lorber, B, Sauter, C. | Deposit date: | 2021-06-10 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CCA-addition in the cold: Structural characterization of the psychrophilic CCA-adding enzyme from the permafrost bacterium Planococcus halocryophilus . Comput Struct Biotechnol J, 19, 2021
|
|
7OQX
| Crystal structure of a psychrophilic CCA-adding enzyme in complex with CMPcPP | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ACETATE ION, CCA-adding enzyme, ... | Authors: | Rollet, K, de Wijn, R, Bluhm, A, Hennig, O, Betat, H, Moerl, M, Lorber, B, Sauter, C. | Deposit date: | 2021-06-04 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | CCA-addition in the cold: Structural characterization of the psychrophilic CCA-adding enzyme from the permafrost bacterium Planococcus halocryophilus . Comput Struct Biotechnol J, 19, 2021
|
|
7OTR
| Crystal structure of a psychrophilic CCA-adding enzyme determined by SAD phasing | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CCA-adding protein, ... | Authors: | Rollet, K, de Wijn, R, Rios-Santacruz, R, Hennig, O, Betat, H, Moerl, M, Sauter, C. | Deposit date: | 2021-06-10 | Release date: | 2021-11-03 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | CCA-addition in the cold: Structural characterization of the psychrophilic CCA-adding enzyme from the permafrost bacterium Planococcus halocryophilus . Comput Struct Biotechnol J, 19, 2021
|
|
5WJI
| Crystal structure of the F61S mutant of HsNUDT16 | Descriptor: | ACETIC ACID, CHLORIDE ION, SULFATE ION, ... | Authors: | Thirawatananond, P, Gabelli, S.B. | Deposit date: | 2017-07-23 | Release date: | 2018-10-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins. Sci Rep, 9, 2019
|
|
6UIS
| HIV-1 M184V reverse transcriptase-DNA complex with dCTP | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primer DNA, ... | Authors: | Lansdon, E.B. | Deposit date: | 2019-10-01 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.74833822 Å) | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance. Commun Biol, 2, 2019
|
|
6UIR
| HIV-1 M184V reverse transcriptase-DNA complex with (-)-FTC-TP | Descriptor: | MAGNESIUM ION, Primer DNA, SULFATE ION, ... | Authors: | Lansdon, E.B. | Deposit date: | 2019-10-01 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.63900113 Å) | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance. Commun Biol, 2, 2019
|
|
6UJX
| HIV-1 wild-type reverse transcriptase-DNA complex with (-)-FTC-TP | Descriptor: | DNA primer, DNA template, MAGNESIUM ION, ... | Authors: | Lansdon, E.B. | Deposit date: | 2019-10-03 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.70451212 Å) | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance. Commun Biol, 2, 2019
|
|