6SGT
| Cryo-EM structure of Escherichia coli AcrB and DARPin in Saposin A-nanodisc with cardiolipin | Descriptor: | DARPin, Multidrug efflux pump subunit AcrB | Authors: | Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F. | Deposit date: | 2019-08-05 | Release date: | 2020-05-13 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment. Structure, 28, 2020
|
|
6SCS
| |
6LZB
| crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with AN-P2-5H-06 | Descriptor: | 1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide, COBALT (II) ION, GLYCEROL, ... | Authors: | sandeep, C.B, Addlagatta, A. | Deposit date: | 2020-02-18 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Selective inhibition of Helicobacter pylori methionine aminopeptidase by azaindole hydroxamic acid derivatives: Design, synthesis, in vitro biochemical and structural studies. Bioorg.Chem., 115, 2021
|
|
8RJ4
| E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ... | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-12-20 | Release date: | 2024-07-10 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Magnesium induced structural reorganization in the active site of adenylate kinase. Sci Adv, 10, 2024
|
|
4QUB
| Caspase-3 K137A | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | Deposit date: | 2014-07-10 | Release date: | 2014-11-05 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.689 Å) | Cite: | Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
|
|
4QUM
| |
6LZC
| crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with KV-P2-4H-05 | Descriptor: | COBALT (II) ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Sandeep, C.B, Addlagatta, A. | Deposit date: | 2020-02-18 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Selective inhibition of Helicobacter pylori methionine aminopeptidase by azaindole hydroxamic acid derivatives: Design, synthesis, in vitro biochemical and structural studies. Bioorg.Chem., 115, 2021
|
|
5JZB
| Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | Descriptor: | 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | Deposit date: | 2016-05-16 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
|
|
6SDF
| N-terminal SH3 domain of Grb2 protein | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Growth factor receptor-bound protein 2 | Authors: | Bolgov, A.A, Korban, S.A, Luzik, D.A, Rogacheva, O.N, Zhemkov, V.A, Kim, M, Skrynnikov, N.R, Bezprozvanny, I.B. | Deposit date: | 2019-07-26 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the SH3 domain of growth factor receptor-bound protein 2. Acta Crystallogr.,Sect.F, 76, 2020
|
|
8RTE
| |
6PXJ
| Crystal structure of human thrombin mutant I16T | Descriptor: | GLYCEROL, MAGNESIUM ION, Thrombin heavy chain, ... | Authors: | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | Deposit date: | 2019-07-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Role of the I16-D194 ionic interaction in the trypsin fold. Sci Rep, 9, 2019
|
|
8W04
| |
7S01
| X-ray structure of the phage AR9 non-virion RNA polymerase holoenzyme in complex with a forked oligonucleotide containing the P077 promoter | Descriptor: | DNA-directed RNA polymerase, DNA-directed RNA polymerase beta subunit, DNA-directed RNA polymerase beta' subunit, ... | Authors: | Leiman, P.G, Sokolova, M.L, Gordeeva, J, Fraser, A, Severinov, K.V. | Deposit date: | 2021-08-28 | Release date: | 2022-07-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis of template strand deoxyuridine promoter recognition by a viral RNA polymerase. Nat Commun, 13, 2022
|
|
7S51
| Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATA peptide | Descriptor: | LEU-PRO-ALA-THR-ALA, Sortase | Authors: | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
|
|
7S4O
| Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATS peptide | Descriptor: | LEU-PRO-ALA-THR-SER-GLY, Sortase | Authors: | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
|
|
7AH4
| Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363 | Descriptor: | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | Deposit date: | 2020-09-24 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
|
|
6SEW
| X-ray structure of the gold/lysozyme adduct formed upon 24h exposure of protein crystals to compound 2 | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | Deposit date: | 2019-07-30 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme. Dalton Trans, 48, 2019
|
|
3M6W
| Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus in space group P21212 in complex with S-Adenosyl-L-Methionine | Descriptor: | CHLORIDE ION, S-ADENOSYLMETHIONINE, rRNA methylase | Authors: | Demirci, H, Larsen, H.G.L, Hansen, T, Rasmussen, A, Cadambi, A, Gregory, S.T, Kirpekar, F, Jogl, G. | Deposit date: | 2010-03-16 | Release date: | 2010-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus. Rna, 16, 2010
|
|
7NO8
| Structure of the mature RSV CA lattice: Group I, pentamer-hexamer interface, class 1"6 | Descriptor: | Capsid protein p27, alternate cleaved 1 | Authors: | Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A. | Deposit date: | 2021-02-25 | Release date: | 2021-04-21 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer. Nat Commun, 12, 2021
|
|
4Y6N
| Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-1 | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, Glucosyl-3-phosphoglycerate synthase, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-13 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
6PZ1
| Crystal Structure of human Indoleamine 2,3-Dioxygenase 1 in complex with PF-06840003 in Active Site and Si site | Descriptor: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | Deposit date: | 2019-07-31 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase. J.Am.Chem.Soc., 141, 2019
|
|
7AH6
| Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0752 | Descriptor: | 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | Deposit date: | 2020-09-24 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.998 Å) | Cite: | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
|
|
8RSU
| |
6YPR
| Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.26 A in H32 space group | Descriptor: | GLYCEROL, Histidine triad nucleotide-binding protein 2, mitochondrial | Authors: | Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C. | Deposit date: | 2020-04-16 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
|
|
7NOM
| Structure of the mature RSV CA lattice: Group IV, hexamer-hexamer interface, class 4'Beta | Descriptor: | Capsid protein p27, alternate cleaved 1 | Authors: | Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A. | Deposit date: | 2021-02-25 | Release date: | 2021-04-21 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer. Nat Commun, 12, 2021
|
|