3O57
| Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor | Descriptor: | 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ... | Authors: | Somers, D.O, Neu, M. | Deposit date: | 2010-07-28 | Release date: | 2011-08-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR. Bioorg.Med.Chem.Lett., 20, 2010
|
|
8CT2
| Local refinement of AQP1 tetramer (C1; refinement mask included D1 of protein 4.2 and Ankyrin-1 AR1-5) in Class 2 of erythrocyte ankyrin-1 complex | Descriptor: | Aquaporin-1, CHOLESTEROL | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-13 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
|
|
5AKN
| THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE non-CODING STRAND B AND IN THE PRESENCE OF 2MM MN | Descriptor: | 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP *CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', ... | Authors: | Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J. | Deposit date: | 2015-03-04 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold. J.Biol.Chem., 290, 2015
|
|
7V19
| Local refinement of Band 3-II transmembrane domains, class 1 of erythrocyte ankyrin-1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ... | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-11 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
|
|
6KIG
| Structure of cyanobacterial photosystem I-IsiA supercomplex | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Cao, P, Cao, D.F, Si, L, Su, X.D, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | Deposit date: | 2019-07-18 | Release date: | 2020-02-12 | Last modified: | 2020-03-04 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for energy and electron transfer of the photosystem I-IsiA-flavodoxin supercomplex. Nat.Plants, 6, 2020
|
|
4YJO
| THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000222 | Descriptor: | 5-chloro-N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase SYK | Authors: | Somers, D.O, Neu, M. | Deposit date: | 2015-03-03 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
|
|
1CDK
| CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ... | Authors: | Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R. | Deposit date: | 1994-07-04 | Release date: | 1995-10-15 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24). EMBO J., 12, 1993
|
|
5HLP
| X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | Descriptor: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-01-15 | Release date: | 2016-05-25 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. Acs Chem.Biol., 11, 2016
|
|
6BUG
| |
5TD4
| |
7U9G
| Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ... | Authors: | Callaway, H.M, Zyla, D, Larrous, F, Dias de Melo, G, Hastie, K.M, Avalos, R.D, Agarwal, A, Bouhry, H, Corti, D, Saphire, E.O. | Deposit date: | 2022-03-10 | Release date: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody. Sci Adv, 8, 2022
|
|
5KU9
| Crystal structure of MCL1 with compound 1 | Descriptor: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-07-13 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
|
|
6Z6W
| Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) from a mammalian expression system. | Descriptor: | Capsid proteins, VP0, VP1, ... | Authors: | Bahar, M.W, Porta, C, Fry, E.E, Stuart, D.I. | Deposit date: | 2020-05-29 | Release date: | 2020-12-30 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mammalian expression of virus-like particles as a proof of principle for next generation polio vaccines. NPJ Vaccines, 6, 2021
|
|
4UF1
| Deerpox virus DPV022 in complex with Bak BH3 | Descriptor: | Antiapoptotic membrane protein, Bcl-2 homologous antagonist/killer, SULFATE ION | Authors: | Burton, D.R, Kvansakul, M. | Deposit date: | 2014-12-23 | Release date: | 2015-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis. Acta Crystallogr.,Sect.D, 71, 2015
|
|
8QW6
| Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting cancer with small-molecule pan-KRAS degraders. Science, 385, 2024
|
|
8D6G
| Nanorana parkeri saxiphilin | Descriptor: | PENTAETHYLENE GLYCOL, Saxiphilin | Authors: | Zakrzewska, S, Chen, Z, Minor, D.L. | Deposit date: | 2022-06-06 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5HLK
| Crystal structure of the ternary EcoRV-DNA-Lu complex with cleaved DNA substrate. | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP)-3'), DNA (5'-D(*AP*TP*CP*TP*TP*TP)-3'), ... | Authors: | Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L. | Deposit date: | 2016-01-15 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex. Biochemistry, 55, 2016
|
|
6G66
| |
8D6T
| Rana catesbeiana saxiphilin mutant - Y558I:STX (co-crystal) | Descriptor: | CACODYLATE ION, Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | Authors: | Chen, Z, Zakrzewska, S, Minor, D.L. | Deposit date: | 2022-06-06 | Release date: | 2022-11-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
8D3Q
| Type I-C Cas4-Cas1-Cas2 complex bound to a PAM/NoPAM prespacer | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endonuclease Cas2, CRISPR-associated exonuclease Cas4, ... | Authors: | Dhingra, Y, Suresh, S.K, Juneja, P, Sashital, D.G. | Deposit date: | 2022-06-01 | Release date: | 2022-11-02 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | PAM binding ensures orientational integration during Cas4-Cas1-Cas2-mediated CRISPR adaptation. Mol.Cell, 82, 2022
|
|
8Q6H
| HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 11) | Descriptor: | 1,2-ETHANEDIOL, 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine, MAGNESIUM ION, ... | Authors: | Somers, D.O. | Deposit date: | 2023-08-11 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Covalent targeting of non-cysteine residues in PI4KIII beta. Rsc Chem Biol, 4, 2023
|
|
8D3M
| Type I-C Cas4-Cas1-Cas2 complex bound to a PAM/Processed prespacer | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endonuclease Cas2, CRISPR-associated exonuclease Cas4, ... | Authors: | Dhingra, Y, Suresh, S.K, Juneja, P, Sashital, D.G. | Deposit date: | 2022-06-01 | Release date: | 2022-11-02 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | PAM binding ensures orientational integration during Cas4-Cas1-Cas2-mediated CRISPR adaptation. Mol.Cell, 82, 2022
|
|
5ZO2
| Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain in complex with mouse nectin-like molecule 1 (mNecl-1) Ig1 domain, 3.3A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 3, Cell adhesion molecule 4 | Authors: | Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X. | Deposit date: | 2018-04-12 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
8D6P
| |
7LQV
| Cryo-EM structure of NTD-directed neutralizing antibody 4-8 Fab in complex with SARS-CoV-2 S2P spike | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-8 Heavy Chain, 4-8 Light chain, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2021-02-15 | Release date: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Potent SARS-CoV-2 Neutralizing Antibodies Directed Against Spike N-Terminal Domain Target a Single Supersite Cell Host Microbe, 2021
|
|