7Q2I
 
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine | | 分子名称: | 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium | | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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5H4I
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7KNG
 | | 2.10A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-2 Y7F) | | 分子名称: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, DTY-ASP-TYR-PRO-GLY-ASP-PHE-CYS-TYR-LEU-TYR-GLY-THR-CYS, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J. | | 登録日 | 2020-11-04 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
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7KWY
 | | X-ray Crystal Structure of PlyCB Mutant R66K | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, PlyCB | | 著者 | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | | 登録日 | 2020-12-02 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus.
Mol.Microbiol., 116, 2021
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8A3A
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7KL5
 | | Structure of Calmodulin Bound to the Cardiac Ryanodine Receptor (RyR2) at Residues: Phe4246 to Val4271 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-1, ... | | 著者 | Fisher, A.J, Ames, J.B, Yu, Q. | | 登録日 | 2020-10-29 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The Crystal Structure of Calmodulin Bound to the Cardiac Ryanodine Receptor (RyR2) at Residues Phe4246-Val4271 Reveals a Fifth Calcium Binding Site.
Biochemistry, 60, 2021
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8SBN
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8A07
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6FD8
 | | Gamma-s crystallin dimer | | 分子名称: | Beta-crystallin S | | 著者 | Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A. | | 登録日 | 2017-12-22 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation.
J. Mol. Biol., 431, 2019
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7Q2M
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with but-3-yn-2-amine hydrochloride | | 分子名称: | (2S)-but-3-yn-2-amine, Cholinephosphate cytidylyltransferase | | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.F. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
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7KJO
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8SBV
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7Q5F
 | | Crystal structure of F2F-2020216-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | 分子名称: | (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2021-11-03 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
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8A0T
 | | MTH1 in complex with TH012532 | | 分子名称: | 5-(phenylmethyl)pyrimidine-2,4-diol, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | 著者 | Scaletti, E, Stenmark, P. | | 登録日 | 2022-05-30 | | 公開日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | MTH1 in complex with TH012532
To Be Published
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6CW2
 | | Crystal structure of a yeast SAGA transcriptional coactivator Ada2/Gcn5 HAT subcomplex, crystal form 1 | | 分子名称: | Histone acetyltransferase GCN5, Transcriptional adapter 2, ZINC ION, ... | | 著者 | Sun, J, Paduch, M, Kim, S.A, Kramer, R.M, Barrios, A.F, Lu, V, Luke, J, Usatyuk, S, Kossiakoff, A.A, Tan, S. | | 登録日 | 2018-03-29 | | 公開日 | 2018-09-19 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Structural basis for activation of SAGA histone acetyltransferase Gcn5 by partner subunit Ada2.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7Q5E
 | | Crystal structure of F2F-2020209-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | 分子名称: | 3C-like proteinase, CHLORIDE ION, SODIUM ION, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2021-11-03 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
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7ZJV
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6YOM
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP, dCMPNPP, Mn and Mg | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | 登録日 | 2020-04-14 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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7KWT
 | | X-ray Crystal Structure of PlyCB Mutant Y28H | | 分子名称: | PlyCB | | 著者 | Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S. | | 登録日 | 2020-12-02 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus.
Mol.Microbiol., 116, 2021
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6YP3
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-028 | | 分子名称: | 1-(4-methylphenyl)-1,2,4-triazole, 14-3-3 protein sigma, CHLORIDE ION, ... | | 著者 | Wolter, M, Ottmann, C. | | 登録日 | 2020-04-15 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7ZJU
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7PZX
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-10-13 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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6YP8
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8A34
 | | MTH1 in complex with TH013071 | | 分子名称: | 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | 著者 | Liu, H, Scaletti, E, Stenmark, P. | | 登録日 | 2022-06-07 | | 公開日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | MTH1 in complex with TH013071
To Be Published
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6FDU
 | | Structure of Chlamydia trachomatis effector protein Cdu1 bound to Compound 3 | | 分子名称: | (2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide, CHLORIDE ION, Deubiquitinase and deneddylase Dub1 | | 著者 | Ramirez, Y, Kisker, C, Altmann, E. | | 登録日 | 2017-12-26 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from Chlamydia trachomatis.
ChemMedChem, 13, 2018
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