5GNF
 
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5IMX
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9B97
 | | Crystal structure of the human PAD2 protein bound to small molecule | | 分子名称: | (1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | 著者 | Byrnes, L.J, Vajdos, F. | | 登録日 | 2024-04-01 | | 公開日 | 2024-10-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism.
Acs Chem.Biol., 19, 2024
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9B96
 | | Crystal structure of the human PAD2 protein bound to inhibitor | | 分子名称: | 1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide, ACETATE ION, CALCIUM ION, ... | | 著者 | Byrnes, L.J, Vajdos, F. | | 登録日 | 2024-04-01 | | 公開日 | 2024-10-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Discovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism.
Acs Chem.Biol., 19, 2024
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9B98
 | | Crystal structure of the human PAD2 protein bound to small molecule | | 分子名称: | (5P)-N,N-diethyl-2-fluoro-5-(2-[({1-[2-(methylamino)-2-oxoethyl]cyclohexyl}methyl)amino]-6-{methyl[1-(2-methyl-1-phenyl-1H-1,3-benzimidazole-5-carbonyl)piperidin-4-yl]amino}pyrimidin-4-yl)benzamide, ACETATE ION, CALCIUM ION, ... | | 著者 | Byrnes, L.J, Vajdos, F. | | 登録日 | 2024-04-01 | | 公開日 | 2024-10-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | Discovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism.
Acs Chem.Biol., 19, 2024
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9INR
 | | Crystal structure of PIN1 in complex with inhibitor C3 | | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | | 著者 | Zhang, L.J, Zhang, L.Y. | | 登録日 | 2024-07-08 | | 公開日 | 2024-09-25 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
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4ZO5
 | | PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione | | 分子名称: | 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ... | | 著者 | Yan, Y. | | 登録日 | 2015-05-06 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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9IYB
 | | Cryo-EM Structure of the Prostaglandin D2 Receptor 2-PGD2 Coupled to G Protein | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Xu, J, Xu, Y, Wu, C, Xu, H.E. | | 登録日 | 2024-07-30 | | 公開日 | 2024-12-04 | | 最終更新日 | 2025-02-26 | | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | | 主引用文献 | Molecular basis of lipid and ligand regulation of prostaglandin receptor DP2.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3J3Y
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3J3Q
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5YGI
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6KYF
 | | Crystal structure of an anti-CRISPR protein | | 分子名称: | AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Niu, Y, Wang, H, Zhang, Y, Feng, Y. | | 登録日 | 2019-09-18 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
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3F62
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5EOR
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5EOQ
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9JQG
 | | Crystal structure of rice DWARF14 in complex with Cyclo(L-Leu-L-Pro) | | 分子名称: | (3~{S},8~{a}~{S})-3-(2-methylpropyl)-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,3-PROPANDIOL, 1,4-BUTANEDIOL, ... | | 著者 | Wang, Q.X, Feng, Q.X, Wang, B, Bai, Y. | | 登録日 | 2024-09-27 | | 公開日 | 2025-05-21 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Root microbiota regulates tiller number in rice.
Cell, 188, 2025
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6U8Y
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7LYI
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3 | | 分子名称: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | 著者 | Sacco, M, Wang, J, Chen, Y. | | 登録日 | 2021-03-07 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
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7LYH
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1 | | 分子名称: | 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | | 著者 | Sacco, M, Wang, J, Chen, Y. | | 登録日 | 2021-03-07 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
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6CB6
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6BR8
 | | Structure of A6 reveals a novel lipid transporter | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | 著者 | Deng, J, Peng, S, Pathak, P. | | 登録日 | 2017-11-30 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DJV
 | | Mtb ClpB in complex with ATPgammaS and casein, Conformer 2 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | 著者 | Yu, H.J, Li, H.L. | | 登録日 | 2018-05-26 | | 公開日 | 2018-09-26 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BR9
 | | Structure of A6 reveals a novel lipid transporter | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | 著者 | Deng, J, Peng, S, Pathak, P. | | 登録日 | 2017-11-30 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CB7
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6DJU
 | | Mtb ClpB in complex with ATPgammaS and casein, Conformer 1 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | 著者 | Yu, H.J, Li, H.L. | | 登録日 | 2018-05-26 | | 公開日 | 2018-09-26 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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