7NOR
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with 2-fluoro-4-hydroxybenzonitrile. | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
|
|
7NNV
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with carbamoyl phosphate. | Descriptor: | 1,2-ETHANEDIOL, Ornithine carbamoyltransferase, PHOSPHATE ION, ... | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-25 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
|
|
7NOV
| Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-methyl-3-nitrophenyl)boronic acid. | Descriptor: | (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron, Ornithine carbamoyltransferase, PHOSPHATE ION | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
|
|
6WPD
| |
7NB9
| E. coli NfsA with nitrofurantoin | Descriptor: | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione, DIMETHYL SULFOXIDE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Day, M.D, Jarrom, D, Grainger, A.I, Parr, R.J, Hyde, E.I, White, S.A. | Deposit date: | 2021-01-25 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN. Biochem.J., 478, 2021
|
|
7NNX
| E. coli NfsA with 1,4-benzoquinone | Descriptor: | 1,2-ETHANEDIOL, 1,4-benzoquinone, CHLORIDE ION, ... | Authors: | Day, M.D, Jarrom, D, Hyde, E.I, White, S.A. | Deposit date: | 2021-02-25 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN. Biochem.J., 478, 2021
|
|
7NMP
| E. coli NfsA with hydroquinone | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Day, M.D, Jarrom, D, Parr, R.J, Hyde, E.I, White, S.A. | Deposit date: | 2021-02-23 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN. Biochem.J., 478, 2021
|
|
7N44
| Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13) | Descriptor: | 3C-like proteinase, 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | Authors: | Reilly, R.A, Zhang, C.H, Deshmukh, M.G, Ippolito, J.A, Hollander, K, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-06-03 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency. Acs Med.Chem.Lett., 12, 2021
|
|
7N27
| Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261 | Descriptor: | Isoform 2 of Chromodomain Y-like protein, SODIUM ION, UNKNOWN ATOM OR ION, ... | Authors: | Beldar, S, Dong, A, Loppnau, P, Min, J, Arrowsmith, C.H, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2021-05-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261 To Be Published
|
|
4YO5
| EAEC T6SS TssA-Cterminus | Descriptor: | TssA | Authors: | Durand, E, Zoued, A, Spinelli, S, Douzi, B, Brunet, Y.R, Bebeacua, C, Legrand, P, Journet, L, Mignot, T, Cambillau, C, Cascales, E. | Deposit date: | 2015-03-11 | Release date: | 2016-02-17 | Last modified: | 2017-06-14 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Priming and polymerization of a bacterial contractile tail structure. Nature, 531, 2016
|
|
6X2C
| |
4YOS
| p107 pocket domain complexed with LIN52 peptide | Descriptor: | 1,2-ETHANEDIOL, Protein lin-52 homolog, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, ... | Authors: | Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M. | Deposit date: | 2015-03-12 | Release date: | 2015-05-27 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural mechanisms of DREAM complex assembly and regulation. Genes Dev., 29, 2015
|
|
7N1F
| SARS-CoV-2 YLQ peptide-specific TCR pYLQ7 binds to YLQ-HLA-A2 | Descriptor: | Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ... | Authors: | Wu, D, Mariuzza, R.A. | Deposit date: | 2021-05-27 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors. Nat Commun, 13, 2022
|
|
7N1D
| SARS-CoV-2 YLQ peptide-specific TCR pYLQ7 | Descriptor: | pYLQ7 T cell receptor alpha chain, pYLQ7 T cell receptor beta chain | Authors: | Wu, D, Mariuzza, R.A. | Deposit date: | 2021-05-27 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors. Nat Commun, 13, 2022
|
|
7N3E
| Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C032 | Descriptor: | C032 Fab Heavy Chain, C032 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
|
|
7N1E
| SARS-CoV-2 RLQ peptide-specific TCR pRLQ3 binds to RLQ-HLA-A2 | Descriptor: | Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ... | Authors: | Wu, D, Mariuzza, R.A. | Deposit date: | 2021-05-27 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors. Nat Commun, 13, 2022
|
|
7N1C
| SARS-CoV-2 RLQ peptide-specific TCR pRLQ3 | Descriptor: | pRLQ3 T cell receptor alpha chain, pRLQ3 T cell receptor beta chain | Authors: | Wu, D, Mariuzza, R.A. | Deposit date: | 2021-05-27 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors. Nat Commun, 13, 2022
|
|
7N3G
| Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C098 | Descriptor: | C098 Fab Heavy Chain, C098 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
|
|
7N3H
| Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C099 | Descriptor: | C099 Fab Heavy Chain, C099 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
|
|
7N3F
| Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C080 | Descriptor: | C080 Fab Heavy Chain, C080 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
|
|
4YU5
| Crystal structure of selenomethionine variant of Bacillus anthracis immune inhibitor A2 peptidase zymogen | Descriptor: | 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, CALCIUM ION, GLYCEROL, ... | Authors: | Arolas, J.L, Goulas, T, Gomis-Ruth, F.X. | Deposit date: | 2015-03-18 | Release date: | 2015-10-28 | Last modified: | 2016-01-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome. Structure, 24, 2016
|
|
4YTV
| Crystal structure of Mdm35 | Descriptor: | COBALT (II) ION, GLYCEROL, Mitochondrial distribution and morphology protein 35 | Authors: | Watanabe, Y, Tamura, Y, Kawano, S, Endo, T. | Deposit date: | 2015-03-18 | Release date: | 2015-08-12 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria. Nat Commun, 6, 2015
|
|
7S0K
| HAP2 from Cyanidioschyzon merolae | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Feng, J, Dong, X.C, Springer, T.A. | Deposit date: | 2021-08-30 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Monomeric prefusion structure of an extremophile gamete fusogen and stepwise formation of the postfusion trimeric state. Nat Commun, 13, 2022
|
|
8F0F
| HIV-1 wild type protease with GRL-110-19A, a chloroacetamide derivative based on Darunavir as P2' group | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-11-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies. Bioorg.Med.Chem.Lett., 83, 2023
|
|
6OOL
| Structural elucidation of the Ectodomain of mouse UNC5H2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Netrin receptor UNC5B, ... | Authors: | Stetefeld, J, McDougall, M.D, Loewen, P.C, Moya, A, Meier, M. | Deposit date: | 2019-04-23 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural elucidation of the Ectodomain of mouse UNC5H2 To be published
|
|