7L8O
 
 | | OXA-48 bound by Compound 4.3 | | 分子名称: | 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ... | | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | | 登録日 | 2020-12-31 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
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7LJI
 | | Structure of poly(aspartic acid) hydrolase PahZ2 with Gd+3 bound | | 分子名称: | GADOLINIUM ION, Poly(Aspartic acid) hydrolase | | 著者 | Brambley, C.A, Yared, T.J, Gonzalez, M, Jansch, A.L, Wallen, J.R, Weiland, M.H, Miller, J.M. | | 登録日 | 2021-01-29 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Sphingomonas sp. KT-1 PahZ2 Structure Reveals a Role for Conformational Dynamics in Peptide Bond Hydrolysis.
J.Phys.Chem.B, 125, 2021
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7LJH
 | | Structure of poly(aspartic acid) hydrolase PahZ2 with Zn+2 bound | | 分子名称: | Poly(Aspartic acid) hydrolase, ZINC ION | | 著者 | Brambley, C.A, Yared, T.J, Gonzalez, M, Jansch, A.L, Wallen, J.R, Weiland, M.H, Miller, J.M. | | 登録日 | 2021-01-29 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Sphingomonas sp. KT-1 PahZ2 Structure Reveals a Role for Conformational Dynamics in Peptide Bond Hydrolysis.
J.Phys.Chem.B, 125, 2021
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8D6N
 | | Q108K:K40L:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V | | 分子名称: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, ACETATE ION, ... | | 著者 | Bingham, C.R, Geiger, J.H, Borhan, B. | | 登録日 | 2022-06-06 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
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8DB2
 | | Q108K:K40L:T51C:T53A:R58L:Q38F mutant of hCRBPII bound to synthetic fluorophore CM1V | | 分子名称: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, Retinol-binding protein 2 | | 著者 | Bingham, C.R, Geiger, J.H, Borhan, B, Staples, R. | | 登録日 | 2022-06-14 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
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7LNU
 | | Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to isopentenyl monophosphate and ATP | | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | | 登録日 | 2021-02-08 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
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7LNW
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7QVS
 | | Pseudomonas aeruginosa nicotinamide adenine dinucleotide kinase (NADK) structure in complex with NADP | | 分子名称: | NAD kinase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION | | 著者 | Rahimova, R, Gelin, M, Labesse, G, Lionne, C. | | 登録日 | 2022-01-23 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-based design, synthesis and biological evaluation of a NAD + analogue targeting Pseudomonas aeruginosa NAD kinase.
Febs J., 290, 2023
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7LO9
 | | RNA dodecamer containing a GNA A residue | | 分子名称: | Chains: A,B,C,D | | 著者 | Harp, J.M, Wawrzak, Z, Egli, M. | | 登録日 | 2021-02-09 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Overcoming GNA/RNA base-pairing limitations using isonucleotides improves the pharmacodynamic activity of ESC+ GalNAc-siRNAs.
Nucleic Acids Res., 49, 2021
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7LML
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-(((3-(4-Carboxyphenoxy)benzyl)oxy)methyl)phenyl)-1H-indole-2-carboxylic acid | | 分子名称: | 6-iodanyl-1~{H}-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | | 著者 | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | 登録日 | 2021-02-05 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
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7LNX
 | | I146A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus | | 分子名称: | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate, (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Thomas, L.M, Singh, S, Johnson, B.P. | | 登録日 | 2021-02-08 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
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6TX7
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7LNT
 | | Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to benzyl monophosphate and ATP | | 分子名称: | (phenylmethyl) dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | 著者 | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | | 登録日 | 2021-02-08 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
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8DJG
 | | ADGRL3-lectin domain in complex with an activating synthetic antibody fragment | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoform 2 of Adhesion G protein-coupled receptor L3, ... | | 著者 | Kordon, S.P, Bandekar, S.J, Arac, D. | | 登録日 | 2022-06-30 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder.
Nat Commun, 14, 2023
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8FOA
 | | Cryo-EM structure of human TRPV6 in complex with the natural phytoestrogen genistein | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Neuberger, A, Yelshanskaya, M.V, Nadezhdin, K.D, Sobolevsky, A.I. | | 登録日 | 2022-12-30 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | Structural mechanism of human oncochannel TRPV6 inhibition by the natural phytoestrogen genistein.
Nat Commun, 14, 2023
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7QOA
 | | Structure of CodB, a cytosine transporter in an outward-facing conformation | | 分子名称: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ... | | 著者 | Hatton, C.E, Cameron, A.D. | | 登録日 | 2021-12-23 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism.
Embo J., 41, 2022
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7LUH
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7M0Q
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7LUJ
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7LVZ
 | | Crystal structure of ADO | | 分子名称: | 2-aminoethanethiol dioxygenase, CHLORIDE ION, FE (II) ION, ... | | 著者 | Bingman, C.A, Fernandez, R.L, Smith, R.W, Fox, B.G, Brunold, T.C. | | 登録日 | 2021-02-26 | | 公開日 | 2022-01-05 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | The Crystal Structure of Cysteamine Dioxygenase Reveals the Origin of the Large Substrate Scope of This Vital Mammalian Enzyme.
Biochemistry, 60, 2021
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7LNV
 | | Apo Structure of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus | | 分子名称: | GLYCEROL, Isopentenyl phosphate kinase, MALONATE ION | | 著者 | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | | 登録日 | 2021-02-08 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
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6U36
 | | PCSK9 in complex with a Fab and compound 14 | | 分子名称: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | | 著者 | Lu, J, Soisson, S. | | 登録日 | 2019-08-21 | | 公開日 | 2019-11-06 | | 最終更新日 | 2020-01-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U6A
 | | Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A | | 分子名称: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase | | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-08-29 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
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8PWK
 | | human HINT1 in complex with compound AT8003 | | 分子名称: | Histidine triad nucleotide-binding protein 1, SODIUM ION, [(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | 著者 | Zimberger, C, Canard, B, Ferron, F. | | 登録日 | 2023-07-20 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.095 Å) | | 主引用文献 | The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.
Plos Biol., 22, 2024
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7LCU
 | | X-ray structure of Furin bound to BOS-318, a small molecule inhibitor | | 分子名称: | (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Campobasso, N, Reid, R. | | 登録日 | 2021-01-11 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease.
Cell Chem Biol, 29, 2022
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