9IUY
 
 | |
9F1T
 | |
9D8S
 | |
9BJF
 | |
9BRV
 | | SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 5 | | Descriptor: | CHLORIDE ION, N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea, Papain-like protease nsp3, ... | | Authors: | Amporndanai, K, Zhao, B, Fesik, S.W. | | Deposit date: | 2024-05-11 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PL pro ).
Acs Med.Chem.Lett., 15, 2024
|
|
9FP6
 | |
9F14
 | | The crystal structure of full length tetramer CysB from Klebsiella aerogenes in complex with N-acetylserine | | Descriptor: | HTH-type transcriptional regulator CysB, N-ACETYL-SERINE | | Authors: | Verschueren, K.H.G, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2024-04-18 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Structure of the LysR-type Transcriptional Regulator, CysB, Bound to the Inducer, N-acetylserine.
Eur.Biophys.J., 53, 2024
|
|
9ILP
 | | Structure of the bacteriophage T5 portal complex | | Descriptor: | Head completion protein, Portal protein pb7 | | Authors: | Peng, Y.N, Liu, H.R. | | Deposit date: | 2024-07-01 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection.
Int J Mol Sci, 25, 2024
|
|
9EU9
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 15i | | Descriptor: | (4-chloranyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
|
|
9B6D
 | | Cryo-EM structure of the mouse TRPM8 channel in the ligand-free desensitized state | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8 | | Authors: | Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y. | | Deposit date: | 2024-03-25 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Sci Adv, 10, 2024
|
|
9BK8
 | |
7AHL
 | | ALPHA-HEMOLYSIN FROM STAPHYLOCOCCUS AUREUS | | Descriptor: | ALPHA-HEMOLYSIN | | Authors: | Song, L, Hobaugh, M, Shustak, C, Cheley, S, Bayley, H, Gouaux, J.E. | | Deposit date: | 1996-12-02 | | Release date: | 1998-01-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure of staphylococcal alpha-hemolysin, a heptameric transmembrane pore.
Science, 274, 1996
|
|
9BKN
 | | DHODH in complex with Ligand 16 | | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
|
|
9C4G
 | |
9EY4
 | | The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide | | Descriptor: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Krajczy, P, Hausch, F. | | Deposit date: | 2024-04-09 | | Release date: | 2024-06-12 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding Proteins.
Chemistry, 30, 2024
|
|
9FQI
 | | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | | Descriptor: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2024-06-17 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
|
|
9INY
 | | Structure of bacteriophage T5 tail tube | | Descriptor: | Tail tube protein pb6 | | Authors: | Peng, Y.N, Liu, H.R. | | Deposit date: | 2024-07-08 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection.
Int J Mol Sci, 25, 2024
|
|
4OR8
 | |
9BKC
 | |
9B1U
 | | Crystal structure of PqqT with PQQ bound | | Descriptor: | PYRROLOQUINOLINE QUINONE, Putative ABC transporter periplasmic solute-binding protein, SODIUM ION | | Authors: | Boggs, D, Bruchs, A, Thompson, P, Olshansky, L, Bridwell-Rabb, J. | | Deposit date: | 2024-03-13 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structure-driven development of a biomimetic rare earth artificial metalloprotein.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7AJP
 | | Crystal Structure of Human Adenovirus 56 Fiber Knob | | Descriptor: | 1,2-ETHANEDIOL, Fiber, GLYCEROL, ... | | Authors: | Strebl, M, Mindler, K, Stehle, T. | | Deposit date: | 2020-09-29 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.382018 Å) | | Cite: | Human species D adenovirus hexon capsid protein mediates cell entry through a direct interaction with CD46.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
9C54
 | | Crystal structure of human PTPN2 catalytic domain | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 2 | | Authors: | Bester, S.M, Linwood, R, Wu, W.-I, Mou, T.-C. | | Deposit date: | 2024-06-05 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Enhancing the apo protein tyrosine phosphatase non-receptor type 2 crystal soaking strategy through inhibitor-accessible binding sites.
Acta Crystallogr.,Sect.F, 80, 2024
|
|
9BBE
 | | Co-crystal structure of human DDB1 bound to fragment UB028668 | | Descriptor: | 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-05 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028668
To be published
|
|
9IUK
 | | The structure of Candida albicans Cdr1 in apo state | | Descriptor: | Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1 | | Authors: | Peng, Y, Sun, H, Yan, Z.F. | | Deposit date: | 2024-07-22 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
|
|
9FCJ
 | | USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (ordered subset, focused refinement) | | Descriptor: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, Polyubiquitin-C, Ubiquitin carboxyl-terminal hydrolase 1, ... | | Authors: | Rennie, M.L, Gundogdu, M, Walden, H. | | Deposit date: | 2024-05-15 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural and Biochemical Insights into the Mechanism of Action of the Clinical USP1 Inhibitor, KSQ-4279.
J.Med.Chem., 67, 2024
|
|
