6MY5
 
 | |
7OKP
 | | Crystal structure of mouse CARM1 in complex with histone H3_13-22 K18 acetylated | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.3, Histone-arginine methyltransferase CARM1, ... | | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2021-05-18 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors.
Chembiochem, 22, 2021
|
|
6VZ9
 | |
7WX2
 | | CBP-BrD complexed with NEO2734 | | Descriptor: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein | | Authors: | Zeng, L, Lei, J.D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
|
|
7OZQ
 | | Crystal structure of archaeal L7Ae bound to eukaryotic kink-loop | | Descriptor: | 50S ribosomal protein L7Ae, ACETATE ION, CALCIUM ION, ... | | Authors: | Hoefler, S, Lukat, P, Carlomagno, T, Blankenfeldt, W. | | Deposit date: | 2021-06-28 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Eukaryotic Box C/D methylation machinery has two non-symmetric protein assembly sites.
Sci Rep, 11, 2021
|
|
5C02
 | |
8CP2
 | |
6VZA
 | | Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-02-28 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
|
|
7OOL
 | | Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Gavira, J.A, Ibarra-Molero, B, Gamiz-Arco, G, Risso, V, Sanchez-Ruiz, J.M. | | Deposit date: | 2021-05-28 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Combining Ancestral Reconstruction with Folding-Landscape Simulations to Engineer Heterologous Protein Expression.
J.Mol.Biol., 433, 2021
|
|
5C0I
 | | HAL-A02 carrying RQFGPDFPTI | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | | Deposit date: | 2015-06-12 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
|
|
8CPH
 | | Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form) | | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-03-02 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
|
|
7P75
 | |
6MYW
 | | Gluconobacter Ene-Reductase (GluER) mutant - T36A | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Garfinkle, S.E, Jeffrey, P, Hyster, T.K. | | Deposit date: | 2018-11-02 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.157 Å) | | Cite: | Photoexcitation of flavoenzymes enables a stereoselective radical cyclization.
Science, 364, 2019
|
|
6BCE
 | | Wild-type I-LtrI bound to cognate substrate (pre-cleavage complex) | | Descriptor: | CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | | Authors: | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
|
|
7XH0
 | | crystal structure of Csn-PD from Paenibacillus dendritiformis | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Chitosanase | | Authors: | Sun, H.H, Cheng, Y.M, Cao, R, Liu, Q, Zhao, L. | | Deposit date: | 2022-04-07 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | crystal structure of Csn-PD from Paenibacillus dendritiformis
To Be Published
|
|
6W7B
 | | K2P2.1 (TREK-1), 0 mM K+ | | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | | Authors: | Lolicato, M, Minor, D.L. | | Deposit date: | 2020-03-19 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.88 Å) | | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
|
|
7P8Z
 | | Short wilavidin biotin complex | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, BIOTIN, ... | | Authors: | Avraham, O, Livnah, O. | | Deposit date: | 2021-07-23 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
|
|
6PNG
 | |
7WWZ
 | | BRD4-BD1 complexed with NEO2734 | | Descriptor: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4 | | Authors: | Zeng, L, Lei, J.D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
|
|
6W84
 | | K2P2.1 (TREK-1), 200 mM K+ | | Descriptor: | CADMIUM ION, DODECANE, N-OCTANE, ... | | Authors: | Lolicato, M, Minor, D.L. | | Deposit date: | 2020-03-20 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
|
|
7XIJ
 | | Crystal structure of CBP bromodomain liganded with Y08175 | | Descriptor: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | Deposit date: | 2022-04-13 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of CBP bromodomain liganded with Y08175
To Be Published
|
|
6PO9
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-03 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.808 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
|
|
8COY
 | | Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex with inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.507 Å) | | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
7TGL
 | |
6W8A
 | | K2P2.1 (TREK-1):ML335 complex, 10 mM K+ | | Descriptor: | CADMIUM ION, DODECANE, HEXADECANE, ... | | Authors: | Lolicato, M, Minor, D.L. | | Deposit date: | 2020-03-20 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
|
|
