7OY6
 
 | | Crystal structure of human DYRK1A in complex with ARN25068 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
|
|
7OBT
 | |
8KA6
 | | De novo design protein -NA7 | | Descriptor: | De novo design protein -NA7 | | Authors: | Wang, S, Liu, Y. | | Deposit date: | 2023-08-02 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | De novo design protein -NA7
To Be Published
|
|
7ON2
 | | SaFtsZ complexed with GDP (soaking in 10 mM CyDTA) | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-25 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
|
|
7P8H
 | | chicken GRIFIN bound to blood group tetrasaccharide B (type 1) | | Descriptor: | Galectin, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2021-07-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Structural Characterization of Rat Galectin-5, an N-Tailed Monomeric Proto-Type-like Galectin.
Biomolecules, 11, 2021
|
|
5ETI
 | | Structure of dead kinase MAPK14 | | Descriptor: | Mitogen-activated protein kinase 14 | | Authors: | Pellegrini, E, Bowler, M.W. | | Deposit date: | 2015-11-17 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
|
|
5ETE
 | |
8KBL
 | | Structure of AcrIIA7 complexed with 1',3'-cADPR and cGG | | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Inhibitor of Type II CRISPR-Cas system | | Authors: | Xiao, Y, Feng, Y. | | Deposit date: | 2023-08-04 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of AcrIIA7 complexed with 1',3'-cADPR and cGG
To Be Published
|
|
7NZF
 | | Crystal structure of HLA-DR4 in complex with a mutated human collagen type II peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Ge, C, Dobritzsch, D, Holmdahl, R. | | Deposit date: | 2021-03-24 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
|
|
7OMJ
 | | SaFtsZ complexed with GDPPCP | | Descriptor: | Cell division protein FtsZ, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, POTASSIUM ION | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-24 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
|
|
5LUH
 | | AadA E87Q in complex with ATP, calcium and streptomycin | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Stern, A.L, Van der Verren, S.E, Selmer, M. | | Deposit date: | 2016-09-08 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
|
|
5F3I
 | | Crystal structure of human KDM4A in complex with compound 54j | | Descriptor: | 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
|
|
7W21
 | | Structure of the M. tuberculosis HtrA N269A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
|
|
8KDK
 | |
7OL9
 | |
5LUV
 | |
5ETF
 | | Structure of dead kinase MAPK14 with bound the KIM domain of MKK6 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, Mitogen-activated protein kinase 14 | | Authors: | Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M. | | Deposit date: | 2015-11-17 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
|
|
7OJB
 | | SaFtsZ(R143K) complexed with GDP | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-14 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
|
|
7OJZ
 | | SaFtsZ complexed with GMPCP | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
|
|
5F4N
 | | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | | Authors: | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | | Deposit date: | 2015-12-03 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J.Med.Chem., 59, 2016
|
|
5WB0
 | |
5ETC
 | |
7OXG
 | | ttSlyD FKBP domain with M8A pseudo-wild-type S2 peptide | | Descriptor: | 30S ribosomal protein S2, CHLORIDE ION, IMIDAZOLE, ... | | Authors: | Pazicky, S, Lei, J, Loew, C. | | Deposit date: | 2021-06-22 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022
|
|
8KBD
 | |
7OG1
 | | AP2 clathrin adaptor core in complex with cargo peptide and FCHO2 | | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | Authors: | Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J. | | Deposit date: | 2021-05-05 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
|
|
