8SMS
 
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase, FabB, and cerulenin crosslinker-crypto Acyl Carrier Protein, AcpP | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide | | 著者 | Jiang, Z, Chen, A, Chen, J, Sekhon, A, Louie, G.V, Noel, J.P, La Clair, J.J, Burkart, M.D. | | 登録日 | 2023-04-26 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Masked cerulenin enables a dual-site selective protein crosslink.
Chem Sci, 14, 2023
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7AMD
 | | In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design | | 分子名称: | Choline O-acetyltransferase, SODIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | 著者 | Allgardsson, A, Ekstrom, F.J, Wiktelius, D, Bergstrom, T, Hoster, N, Akfur, C, Forsgren, N, Lejon, C, Hedenstrom, M, Linusson, A. | | 登録日 | 2020-10-08 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6XBE
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F | | 分子名称: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F | | 著者 | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | 登録日 | 2020-06-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6F9R
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6XCI
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D | | 分子名称: | ACETATE ION, BlaNDM-4_1_JQ348841, CADMIUM ION, ... | | 著者 | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | 登録日 | 2020-06-08 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7S87
 | | Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01 | | 分子名称: | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2021-09-17 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01
To Be Published
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6BFY
 | | Crystal structure of enolase from Escherichia coli with bound 2-phosphoglycerate substrate | | 分子名称: | 2-PHOSPHOGLYCERIC ACID, Enolase, GLYCEROL, ... | | 著者 | Erlandsen, H, Wright, D, Krucinska, J. | | 登録日 | 2017-10-27 | | 公開日 | 2018-10-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
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7ANV
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6J6M
 | | Co-crystal structure of BTK kinase domain with Zanubrutinib | | 分子名称: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | | 著者 | Zhou, X, Hong, Y. | | 登録日 | 2019-01-15 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
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6ETA
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7AQ0
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A/S550A | | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.584 Å) | | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7S5A
 | | Crystal structure of human chemokine CCL8 | | 分子名称: | C-C motif chemokine 8 | | 著者 | Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J. | | 登録日 | 2021-09-10 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6X6F
 | | The structure of Pf6r from the filamentous phage Pf6 of Pseudomonas aeruginosa PA01 | | 分子名称: | NITRATE ION, Pf6r | | 著者 | Michie, K.A, Norrian, P, Duggin, I.G, McDougald, D, Rice, S.A. | | 登録日 | 2020-05-28 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.735 Å) | | 主引用文献 | The Repressor C Protein, Pf4r, Controls Superinfection of Pseudomonas aeruginosa PAO1 by the Pf4 Filamentous Phage and Regulates Host Gene Expression.
Viruses, 13, 2021
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7ZC3
 | | Crystal structure of human copper chaperone Atox1 bound to zinc ion by CxxC motif | | 分子名称: | Copper transport protein ATOX1, SULFATE ION, ZINC ION | | 著者 | Mangini, V, Belviso, B.D, Arnesano, F, Caliandro, R. | | 登録日 | 2022-03-25 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of the Human Copper Chaperone ATOX1 Bound to Zinc Ion.
Biomolecules, 12, 2022
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7YZS
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8SMU
 | | Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP | | 分子名称: | CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ... | | 著者 | Mahoney, B.J, Cascio, D, Clubb, R.T. | | 登録日 | 2023-04-26 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens.
J.Inorg.Biochem., 249, 2023
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6ETY
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU3371 | | 分子名称: | (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Barinka, C, Novakova, Z, Motlova, L. | | 登録日 | 2017-10-27 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
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6BCI
 | | Wild-type I-LtrI bound to non-cognate C4 substrate (pre-cleavage complex) | | 分子名称: | CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein | | 著者 | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | 登録日 | 2017-10-20 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
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6FBX
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6PDG
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83 | | 分子名称: | 5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | 登録日 | 2019-06-18 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.919 Å) | | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6FC4
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6PDM
 | | Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9) | | 分子名称: | Protein arginine N-methyltransferase 9, UNKNOWN ATOM OR ION | | 著者 | Halabelian, L, Tempel, W, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-19 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
To Be Published
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6J85
 | | Crystal structure of HinD apo | | 分子名称: | Nocardicin N-oxygenase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Fei, H, Mori, T, Abe, I. | | 登録日 | 2019-01-18 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
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7B34
 | | MST3 in complex with compound MRIA12 | | 分子名称: | 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-11-28 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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7SB8
 | | d(GA(CGA)5) parallel-stranded homo-duplex | | 分子名称: | COBALT HEXAMMINE(III), GA(CGA)5, SODIUM ION, ... | | 著者 | Luteran, E.M, Paukstelis, P.J. | | 登録日 | 2021-09-24 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.317 Å) | | 主引用文献 | The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands.
Acta Crystallogr D Struct Biol, 78, 2022
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