7L0D
 
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML188 | | Descriptor: | 3C-like proteinase, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide | | Authors: | Lockbaum, G.J, Lee, J.M, Reyes, A.C, Nalivaika, E.A, Ali, A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | | Deposit date: | 2020-12-11 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188.
Viruses, 13, 2021
|
|
7KHL
 | | BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | | Authors: | Murray, J.M. | | Deposit date: | 2020-10-21 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.286 Å) | | Cite: | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
|
|
7KHH
 | | Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide) | | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | | Authors: | Murray, J.M. | | Deposit date: | 2020-10-21 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
|
|
2E6L
 | | structure of mouse WRN exonuclease domain | | Descriptor: | SULFATE ION, Werner syndrome ATP-dependent helicase homolog, ZINC ION | | Authors: | Cho, Y, Choi, J.M. | | Deposit date: | 2006-12-27 | | Release date: | 2007-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | probing the roles of active site residues in 3'-5' exonuclease of werner syndrome protein
TO BE PUBLISHED
|
|
7QHH
 | | Desensitized state of GluA1/2 AMPA receptor in complex with TARP-gamma 8 (TMD-LBD) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, GLUTAMIC ACID, ... | | Authors: | Herguedas, B, Kohegyi, B, Dohrke, J.N, Watson, J.F, Zhang, D, Ho, H, Shaikh, S, Lape, R, Krieger, J.M, Greger, I.H. | | Deposit date: | 2021-12-12 | | Release date: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Mechanisms underlying TARP modulation of the GluA1/2-gamma 8 AMPA receptor.
Nat Commun, 13, 2022
|
|
7KEN
 | |
8Q5P
 | | Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1 | | Descriptor: | Activated CDC42 kinase 1, Histone-lysine N-methyltransferase SETD2, S-ADENOSYLMETHIONINE, ... | | Authors: | Mechaly, A, Le Coadou, L, Dupret, J.M, Haouz, A, Rodrigues Lima, F. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.814 Å) | | Cite: | Structural and enzymatic evidence for the methylation of the ACK1 tyrosine kinase by the histone lysine methyltransferase SETD2.
Biochem.Biophys.Res.Commun., 695, 2024
|
|
3FPT
 | | The Crystal Structure of the Complex between Evasin-1 and CCL3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Evasin-1 | | Authors: | Shaw, J.P, Dias, J.M. | | Deposit date: | 2009-01-06 | | Release date: | 2010-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of chemokine sequestration by a tick chemokine binding protein: the crystal structure of the complex between Evasin-1 and CCL3
Plos One, 4, 2009
|
|
7L30
 | | Binjari virus (BinJV) | | Descriptor: | Envelope protein E, prM protein | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-12-17 | | Release date: | 2021-03-10 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | The structure of an infectious immature flavivirus redefines viral architecture and maturation.
Sci Adv, 7, 2021
|
|
8Q3W
 | | ATP-bound IstB in complex to duplex DNA | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (48-MER) Target DNA FW, DNA (48-MER) Traget DNA Rv, ... | | Authors: | de la Gandara, A, Spinola-Amilibia, M, Araujo-Bazan, L, Nunez-Ramirez, R, Berger, J.M, Arias-Palomo, E. | | Deposit date: | 2023-08-04 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Molecular basis for transposase activation by a dedicated AAA+ ATPase.
Nature, 630, 2024
|
|
7KYL
 | | Powassan virus Envelope protein DIII in complex with neutralizing Fab POWV-80 | | Descriptor: | CHLORIDE ION, Envelope protein domain III, POWV-80 Fab heavy chain, ... | | Authors: | Errico, J.M, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-12-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Broadly neutralizing monoclonal antibodies protect against multiple tick-borne flaviviruses.
J.Exp.Med., 218, 2021
|
|
2BSK
 | | Crystal structure of the TIM9 Tim10 hexameric complex | | Descriptor: | MITOCHONDRIAL IMPORT INNER MEMBRANE TRANSLOCASE SUBUNIT TIM10, MITOCHONDRIAL IMPORT INNER MEMBRANE TRANSLOCASE SUBUNIT TIM9 A | | Authors: | Webb, C.T, Gorman, M.A, Lazarus, M, Ryan, M.T, Gulbis, J.M. | | Deposit date: | 2005-05-23 | | Release date: | 2006-01-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal Structure of the Mitochondrial Chaperone Tim910 Reveals a Six-Bladed Alpha-Propeller.
Mol.Cell, 21, 2006
|
|
2BKS
 | | crystal structure of Renin-PF00074777 complex | | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | | Authors: | Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. | | Deposit date: | 2005-02-18 | | Release date: | 2006-04-05 | | Last modified: | 2021-07-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
|
|
8Q4D
 | | IstA-IstB(E167Q) Strand Transfer Complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (118-MER) / TIR-transferred strand, ... | | Authors: | de la Gandara, A, Spinola-Amilibia, M, Araujo-Bazan, L, Nunez-Ramirez, R, Berger, J.M, Arias-Palomo, E. | | Deposit date: | 2023-08-06 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Molecular basis for transposase activation by a dedicated AAA+ ATPase.
Nature, 630, 2024
|
|
8QB7
 | |
8QBD
 | | Helical reconstruction of yeast eisosome protein Pil1 bound to membrane composed of lipid mixture +PIP2/+sterol (DOPC, DOPE, DOPS, cholesterol, PI(4,5)P2 35:20:20:15:10) | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, Sphingolipid long chain base-responsive protein PIL1 | | Authors: | Kefauver, J.M, Zou, L, Desfosses, A, Loewith, R.J. | | Deposit date: | 2023-08-24 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Cryo-EM architecture of a near-native stretch-sensitive membrane microdomain.
Nature, 2024
|
|
7QDH
 | | SARS-CoV-2 S protein S:D614G mutant 1-up | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | Authors: | Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M. | | Deposit date: | 2021-11-27 | | Release date: | 2022-05-25 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation.
Plos Pathog., 18, 2022
|
|
8QBF
 | | Compact state - Pil1 dimer with lipid headgroups fitted in native eisosome lattice bound to plasma membrane microdomain | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, PHOSPHOSERINE, Sphingolipid long chain base-responsive protein PIL1 | | Authors: | Kefauver, J.M, Zou, L, Desfosses, A, Loewith, R.J. | | Deposit date: | 2023-08-24 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Cryo-EM architecture of a near-native stretch-sensitive membrane microdomain.
Nature, 2024
|
|
8QB9
 | | Helical reconstruction of yeast eisosome protein Pil1 bound to membrane composed of lipid mixture -PIP2/+sterol (DOPC, DOPE, DOPS, cholesterol 30:20:20:30) | | Descriptor: | Sphingolipid long chain base-responsive protein PIL1 | | Authors: | Kefauver, J.M, Zou, L, Desfosses, A, Loewith, R.J. | | Deposit date: | 2023-08-24 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Cryo-EM architecture of a near-native stretch-sensitive membrane microdomain.
Nature, 2024
|
|
8QBG
 | |
8QBE
 | |
8QB8
 | |
8QBB
 | | Helical reconstruction of yeast eisosome protein Pil1 bound to membrane composed of lipid mixture +PIP2/-sterol (DOPC, DOPE, DOPS, PI(4,5)P2 50:20:20:10) | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Sphingolipid long chain base-responsive protein PIL1 | | Authors: | Kefauver, J.M, Zou, L, Desfosses, A, Loewith, R.J. | | Deposit date: | 2023-08-24 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Cryo-EM architecture of a near-native stretch-sensitive membrane microdomain.
Nature, 2024
|
|
7QDG
 | | SARS-CoV-2 S protein S:A222V + S:D614G mutant 1-up | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M. | | Deposit date: | 2021-11-27 | | Release date: | 2022-05-25 | | Last modified: | 2022-08-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation.
Plos Pathog., 18, 2022
|
|
8Q0V
 | | Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-073) | | Descriptor: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | | Deposit date: | 2023-07-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits
To Be Published
|
|
