7S86
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7R3U
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Katariya, M, Leys, D, Levy, C. | Deposit date: | 2022-02-07 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7RVA
| Updated Crystal Structure of Replication Initiator Protein REPE54. | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ... | Authors: | Ward, A.R, Snow, C.D. | Deposit date: | 2021-08-18 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA Crystals, 12, 2022
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8ERX
| Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide | Descriptor: | Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01 | Authors: | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | Deposit date: | 2022-10-13 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules. Front Immunol, 14, 2023
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8EGK
| Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120 | Descriptor: | AZIDE ION, All4481 protein | Authors: | Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M. | Deposit date: | 2022-09-12 | Release date: | 2023-05-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis. J.Biol.Chem., 299, 2023
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8EUO
| Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations | Descriptor: | (S)-hydroxynitrile lyase | Authors: | Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L. | Deposit date: | 2022-10-19 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | to be published To Be Published
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8FSD
| P130R mutant of soybean SHMT8 in complex with PLP-glycine and formylTHF | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | Authors: | Beamer, L.J, Korasick, D.A. | Deposit date: | 2023-01-09 | Release date: | 2023-10-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance. Febs J., 291, 2024
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8PXI
| Crystal structure of Endothiapepsin soaked with FRG283 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol, DIMETHYL SULFOXIDE, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-23 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8QI7
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8RZC
| SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11 | Descriptor: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-imidazol-1-yl-benzoic acid, ... | Authors: | Kalnins, G. | Deposit date: | 2024-02-12 | Release date: | 2024-02-21 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for inhibition of the SARS-CoV-2 nsp16 by substrate-based dual site inhibitors. Chemmedchem, 2024
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8RZD
| SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9 | Descriptor: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-hydroxyphenyl)benzoic acid, ... | Authors: | Kalnins, G. | Deposit date: | 2024-02-12 | Release date: | 2024-02-21 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for inhibition of the SARS-CoV-2 nsp16 by substrate-based dual site inhibitors. Chemmedchem, 2024
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8RZE
| SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 10 | Descriptor: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid, ... | Authors: | Kalnins, G. | Deposit date: | 2024-02-12 | Release date: | 2024-02-21 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for inhibition of the SARS-CoV-2 nsp16 by substrate-based dual site inhibitors. Chemmedchem, 2024
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8S8A
| Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ... | Authors: | Brenner, M, Gohla, A, Schindelin, H. | Deposit date: | 2024-03-06 | Release date: | 2024-06-12 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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8S0B
| H. sapiens MCM bound to double stranded DNA and ORC6 as part of the MCM-ORC complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (45-mer), DNA replication licensing factor MCM2, ... | Authors: | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | Deposit date: | 2024-02-13 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | MCM Double Hexamer Loading Visualised with Human Proteins Nature, 2024
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8S0F
| H. sapiens OC1M bound to double stranded DNA | Descriptor: | DNA (39-mer), DNA replication factor Cdt1, DNA replication licensing factor MCM2, ... | Authors: | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | Deposit date: | 2024-02-13 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | MCM Double Hexamer Loading Visualised with Human Proteins Nature, 2024
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8S0A
| H. sapiens MCM2-7 hexamer bound to double stranded DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (22-mer), ... | Authors: | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | Deposit date: | 2024-02-13 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | MCM Double Hexamer Loading Visualised with Human Proteins Nature, 2024
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8S0D
| H. sapiens MCM bound to double stranded DNA and ORC1-6 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (58-mer), DNA replication licensing factor MCM2, ... | Authors: | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | Deposit date: | 2024-02-13 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | MCM Double Hexamer Loading Visualised with Human Proteins Nature, 2024
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8S0C
| H. sapiens ORC1-5 bound to double stranded DNA as part of the MCM-ORC complex | Descriptor: | DNA (26-mer), Isoform 2 of Origin recognition complex subunit 3, MAGNESIUM ION, ... | Authors: | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | Deposit date: | 2024-02-13 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | MCM Double Hexamer Loading Visualised with Human Proteins Nature, 2024
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8S0E
| H. sapiens OCCM bound to double stranded DNA | Descriptor: | Cell division control protein 6 homolog, DNA (39-mer), DNA replication factor Cdt1, ... | Authors: | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | Deposit date: | 2024-02-13 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | MCM Double Hexamer Loading Visualised with Human Proteins Nature, 2024
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8S09
| H. sapiens MCM2-7 double hexamer bound to double stranded DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (45-mer), ... | Authors: | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | Deposit date: | 2024-02-13 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | MCM Double Hexamer Loading Visualised with Human Proteins Nature, 2024
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8QU3
| NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ... | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-10-13 | Release date: | 2024-03-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
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8QU2
| NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | Authors: | Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-10-13 | Release date: | 2024-03-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
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8QU4
| NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ... | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-10-13 | Release date: | 2024-03-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
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8QZO
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8R15
| Crystal structure of Fusarium oxysporum NADase I | Descriptor: | GLYCEROL, TNT domain-containing protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | Deposit date: | 2023-11-01 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage. Protein Sci., 33, 2024
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