7ALG
 
 | | The RSLex - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0 | | 分子名称: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | 著者 | Ramberg, K, Engilberge, S, Crowley, P.B. | | 登録日 | 2020-10-06 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.452 Å) | | 主引用文献 | Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
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7MBH
 | | Structure of Human Enolase 2 in complex with phosphoserine | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ... | | 著者 | Leonard, P.G, Hicks, K.G, Rutter, J. | | 登録日 | 2021-03-31 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
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8T4V
 | | Crystal structure of compound 1 bound to K-Ras(G12D) | | 分子名称: | 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Zhang, Z, Zheng, Q, Guiley, K.Z, Shokat, K.M. | | 登録日 | 2023-06-10 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D.
Nat.Chem.Biol., 20, 2024
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6JCB
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7QXZ
 | | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 5 | | 分子名称: | 2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | | 登録日 | 2022-01-27 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
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7AEM
 | | Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series | | 分子名称: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | | 著者 | Hargreaves, D. | | 登録日 | 2020-09-17 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
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6JDA
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8SLO
 | | Plasmodium falciparum M1 aminopeptidase bound to selective inhibitor MIPS2673 | | 分子名称: | 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | McGowan, S.M, Drinkwater, N. | | 登録日 | 2023-04-24 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Chemoproteomics validates selective targeting of Plasmodium M1 alanyl aminopeptidase as an antimalarial strategy.
Elife, 13, 2024
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6IYU
 | | Crystal Structure Analysis of an Eukaryotic Membrane Protein | | 分子名称: | CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A | | 著者 | Wang, X.H, Zeng, Y, Su, M, Gao, F, Chen, Y.H. | | 登録日 | 2018-12-17 | | 公開日 | 2019-05-01 | | 最終更新日 | 2019-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | | 主引用文献 | Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8SM8
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6IZ1
 | | Crystal Structure Analysis of a Eukaryotic Membrane Protein | | 分子名称: | CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A | | 著者 | Wang, X.H, Zeng, Y, Gao, F, Su, M, Chen, Y.H. | | 登録日 | 2018-12-18 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.399 Å) | | 主引用文献 | Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6DK1
 | | Human sigma-1 receptor bound to (+)-pentazocine | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, GLYCEROL, ... | | 著者 | Schmidt, H.R, Kruse, A.C. | | 登録日 | 2018-05-28 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
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7RAQ
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7ARO
 | | Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor | | 分子名称: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | 著者 | Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A. | | 登録日 | 2020-10-25 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.119 Å) | | 主引用文献 | Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
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7R6U
 | | Paracoccidioides americana Pb03 Calcium Binding Protein 1 (Cbp1) | | 分子名称: | CBP domain-containing protein | | 著者 | Herrera, N, Azimova, D, Sil, A, Rosenberg, O.S. | | 登録日 | 2021-06-23 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Cbp1, a fungal virulence factor under positive selection, forms an effector complex that drives macrophage lysis.
Plos Pathog., 18, 2022
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8SBQ
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7AKO
 | | Crystal structure of CHK1 kinase domain in complex with a CLASPIN phosphopeptide | | 分子名称: | 1,2-ETHANEDIOL, Claspin, STAUROSPORINE, ... | | 著者 | Day, M, Oliver, A.W, Pearl, L.H. | | 登録日 | 2020-10-01 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein.
Structure, 29, 2021
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7AGH
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8SJ1
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7AX4
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7AG4
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7QXY
 | | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 3 | | 分子名称: | 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | | 登録日 | 2022-01-27 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.478 Å) | | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
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6JG1
 | | Crystal structure of barley exohydrolaseI wildtype in complex with 4I,4III,4V-S-trithiocellohexaose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Barley exohydrolase I, GLYCEROL, ... | | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | | 登録日 | 2019-02-13 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6DLX
 | | FtsY-NG domain bound to fragment 3. | | 分子名称: | 4-bromo-2,5-dimethoxyaniline, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ataide, F.S, Faoro, C. | | 登録日 | 2018-06-04 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.848 Å) | | 主引用文献 | Discovery of fragments that target key interactions in the signal recognition particle (SRP) as potential leads for a new class of antibiotics.
PLoS ONE, 13, 2018
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6JGG
 | | Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 2-thio-beta-sophoroside. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | 著者 | Luang, S, Streltsov, V.A, Hrmova, M. | | 登録日 | 2019-02-14 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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