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
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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
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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
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6WPD
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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
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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
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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
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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
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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
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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
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6X2C
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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