7BOJ
| Cryo-EM structure of the encapsulin shell from Mycobacterium smegmatis | Descriptor: | 29 kDa antigen Cfp29 | Authors: | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7CL0
| Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
7CL1
| Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
2O7N
| CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | Descriptor: | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L | Authors: | Sheriff, S. | Deposit date: | 2006-12-11 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold. Bioorg.Med.Chem.Lett., 17, 2007
|
|
7E1V
| Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-13 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
|
|
7E1X
| Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
|
|
7E1W
| Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
|
|
6IHJ
| |
6IEW
| |
7F6H
| Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and bradykinin | Descriptor: | Bradykinin, Bradykinin receptor BK2R, CHOLESTEROL, ... | Authors: | Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H. | Deposit date: | 2021-06-25 | Release date: | 2022-01-05 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of human bradykinin receptor-G q proteins complexes. Nat Commun, 13, 2022
|
|
7F6I
| Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and kallidin | Descriptor: | Bradykinin receptor BK2R, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H. | Deposit date: | 2021-06-25 | Release date: | 2022-01-05 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of human bradykinin receptor-G q proteins complexes. Nat Commun, 13, 2022
|
|
8JWY
| Crystal structure of A2AR-T4L in complex with 2-118 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors. Sci China Life Sci, 67, 2024
|
|
8JWZ
| Crystal structure of A2AR-T4L in complex with AB928 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors. Sci China Life Sci, 67, 2024
|
|
7XRP
| Cryo-EM structure of SARS-CoV-2 spike protein in complex with nanobody C5G2 (localized refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C5G2 nanobody, Spike protein S1 | Authors: | Liu, L, Sun, H, Jiang, Y, Liu, X, Zhao, D, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2022-05-11 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | A potent synthetic nanobody with broad-spectrum activity neutralizes SARS-CoV-2 virus and the Omicron variant BA.1 through a unique binding mode. J Nanobiotechnology, 20, 2022
|
|
5YDR
| Structure of DNMT1 RFTS domain in complex with ubiquitin | Descriptor: | DNA (cytosine-5)-methyltransferase 1, PHOSPHATE ION, Polyubiquitin-B, ... | Authors: | Qian, C. | Deposit date: | 2017-09-14 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Structural and mechanistic insights into UHRF1-mediated DNMT1 activation in the maintenance DNA methylation. Nucleic Acids Res., 46, 2018
|
|
7WFY
| |
2F9V
| HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines | Descriptor: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID, NS3 protease/helicase, ZINC ION, ... | Authors: | Bogen, S.L, Ruan, S, Liu, R, Agrawal, S, Pichardo, J, Prongay, A, Baroudy, B, Saksena, A, Girijavallabhan, V, Njoroge, F.G. | Deposit date: | 2005-12-06 | Release date: | 2007-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity. Bioorg.Med.Chem.Lett., 16, 2006
|
|
8WKJ
| |
8WOU
| |
7YGI
| Crystal structure of p53 DBD domain in complex with azurin | Descriptor: | Azurin, Cellular tumor antigen p53, PHOSPHATE ION, ... | Authors: | Jiang, W.X, Zuo, J.Q, Hu, J.J, Chen, X.Q, Ma, L.X, Liu, Z, Xing, Q. | Deposit date: | 2022-07-11 | Release date: | 2023-02-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of bacterial effector protein azurin targeting tumor suppressor p53 and inhibiting its ubiquitination. Commun Biol, 6, 2023
|
|
6BBU
| Crystal Structure of JAK1 in complex with compound 25 | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | Authors: | Han, S. | Deposit date: | 2017-10-19 | Release date: | 2018-01-17 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
|
|
6BGA
| 2B4 I-Ek TCR-MHC complex with affinity-enhancing Velcro peptide | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 peptide,MHC I-Ek B chain, ... | Authors: | Gee, M.H, Sibener, L.V, Birnbaum, M.E, Jude, K.M, Garcia, K.C. | Deposit date: | 2017-10-27 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Stress-testing the relationship between T cell receptor/peptide-MHC affinity and cross-reactivity using peptide velcro. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6BJ3
| TCR55 in complex with HIV(Pol448-456)/HLA-B35 | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HIV Pol B35 peptide, ... | Authors: | Jude, K.M, Sibener, L.V, Garcia, K.C. | Deposit date: | 2017-11-03 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding. Cell, 174, 2018
|
|
2F9U
| HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane | Descriptor: | 1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE, NS3 protease/helicase', ZINC ION, ... | Authors: | Venkatraman, S, Njoroge, F.G, Wu, W, Girijavallabhan, V, Prongay, A.J, Butkiewicz, N, Pichardo, J. | Deposit date: | 2005-12-06 | Release date: | 2006-06-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel Inhibitors of Hepatitis C NS3-NS4A Serine Protease Derived from 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid. Bioorg.Med.Chem.Lett., 16, 2006
|
|
6BBV
| Crystal Structure of JAK2 in complex with compound 25 | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Han, S. | Deposit date: | 2017-10-19 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
|
|