8PXI
 
 | | Crystal structure of Endothiapepsin soaked with FRG283 | | 分子名称: | (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, ... | | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | | 登録日 | 2023-07-23 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits
To Be Published
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8QI7
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8R61
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8RZC
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11 | | 分子名称: | 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, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-02-12 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-02-12 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-02-12 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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 | | 分子名称: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ... | | 著者 | Brenner, M, Gohla, A, Schindelin, H. | | 登録日 | 2024-03-06 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 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 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA (45-mer), DNA replication licensing factor MCM2, ... | | 著者 | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | MCM Double Hexamer Loading Visualised with Human Proteins
Nature, 2024
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8S0F
 | | H. sapiens OC1M bound to double stranded DNA | | 分子名称: | DNA (39-mer), DNA replication factor Cdt1, DNA replication licensing factor MCM2, ... | | 著者 | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | 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 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (22-mer), ... | | 著者 | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | 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 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA (58-mer), DNA replication licensing factor MCM2, ... | | 著者 | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | 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 | | 分子名称: | DNA (26-mer), Isoform 2 of Origin recognition complex subunit 3, MAGNESIUM ION, ... | | 著者 | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | MCM Double Hexamer Loading Visualised with Human Proteins
Nature, 2024
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8S0E
 | | H. sapiens OCCM bound to double stranded DNA | | 分子名称: | Cell division control protein 6 homolog, DNA (39-mer), DNA replication factor Cdt1, ... | | 著者 | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | 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 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (45-mer), ... | | 著者 | Greiwe, J.F, Weissmann, F, Diffley, J.F.X, Costa, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-10-02 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | 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 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ... | | 著者 | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | 登録日 | 2023-10-13 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | 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 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | | 著者 | Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | 登録日 | 2023-10-13 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | 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 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ... | | 著者 | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | 登録日 | 2023-10-13 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | 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 | | 分子名称: | 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 | | 著者 | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | | 登録日 | 2023-11-01 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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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8RIW
 | | T2R-TTL-1-L01 complex | | 分子名称: | (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E. | | 登録日 | 2023-12-19 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
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8RIV
 | | T2R-TTL-1-K08 complex | | 分子名称: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | | 登録日 | 2023-12-19 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
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8SBH
 | | YeiE effector binding domain from E. coli | | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | 著者 | Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E. | | 登録日 | 2023-04-03 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
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8RUU
 | | Fabs derived from bimekizumab in complex with IL-17F | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ... | | 著者 | Adams, R, Lawson, A.D.G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition.
J Invest Dermatol., 2024
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8QY4
 | | Structure of interleukin 11 (gp130 P496L mutant). | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ... | | 著者 | Gardner, S, Bubeck, D, Jin, Y. | | 登録日 | 2023-10-25 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-09-04 | | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | | 主引用文献 | Structural insights into IL-11-mediated signalling and human IL6ST variant-associated immunodeficiency.
Nat Commun, 15, 2024
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8QY5
 | | Structure of interleukin 6. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-6, ... | | 著者 | Gardner, S, Bubeck, D, Jin, Y. | | 登録日 | 2023-10-25 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural insights into IL-11-mediated signalling and human IL6ST variant-associated immunodeficiency.
Nat Commun, 15, 2024
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