8H6I
 
 | | The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors | | 分子名称: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5 | | 著者 | Lin, M, Liu, X. | | 登録日 | 2022-10-17 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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4XFV
 | | Crystal Structure of Elp2 | | 分子名称: | Elongator complex protein 2 | | 著者 | Lin, Z, Dong, C, Long, J, Shen, Y. | | 登録日 | 2014-12-29 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The elp2 subunit is essential for elongator complex assembly and functional regulation
Structure, 23, 2015
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4N8R
 | | Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008 | | 分子名称: | 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | | 著者 | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | | 登録日 | 2013-10-17 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
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4N75
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4N5G
 | | Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012 | | 分子名称: | 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | | 著者 | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | | 登録日 | 2013-10-09 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
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4U97
 | | Crystal Structure of Asymmetric IRAK4 Dimer | | 分子名称: | Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION | | 著者 | Ferrao, R, Wu, H. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
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4U9A
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7C1L
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | 登録日 | 2020-05-05 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1U
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation | | 分子名称: | Non-ribosomal peptide synthetase modules | | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | 登録日 | 2020-05-05 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1R
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | 登録日 | 2020-05-05 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1H
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA | | 分子名称: | Non-ribosomal peptide synthetase modules | | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | 登録日 | 2020-05-04 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1S
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA and Leu-SNAC | | 分子名称: | Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A, S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate | | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | 登録日 | 2020-05-05 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.586 Å) | | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1P
 | | Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A | | 分子名称: | Non-ribosomal peptide synthetase modules | | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D. | | 登録日 | 2020-05-05 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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7C1K
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A | | 分子名称: | Non-ribosomal peptide synthetase modules | | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | 登録日 | 2020-05-04 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.755 Å) | | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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5SZC
 | | Structure of human Dpf3 double-PHD domain bound to histone H3 tail peptide with monomethylated K4 and acetylated K14 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Histone H3 tail peptide, ZINC ION, ... | | 著者 | Singh, N, Local, A, Shiau, A, Ren, B, Corbett, K.D. | | 登録日 | 2016-08-13 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.193 Å) | | 主引用文献 | Identification of H3K4me1-associated proteins at mammalian enhancers.
Nat. Genet., 50, 2018
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5SZB
 | | Structure of human Dpf3 double-PHD domain bound to histone H3 tail peptide with acetylated K14 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Histone H3 tail peptide, ZINC ION, ... | | 著者 | Singh, N, Local, A, Shiau, A, Ren, B, Corbett, K.D. | | 登録日 | 2016-08-13 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Identification of H3K4me1-associated proteins at mammalian enhancers.
Nat. Genet., 50, 2018
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8INH
 | | ZjOGT3, flavonoid 7,4'-di-O-glycosyltransferase | | 分子名称: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | 著者 | Wang, Z.L, Wang, H.D, Li, F.D, Ye, M. | | 登録日 | 2023-03-09 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di- O -glycosyltransferase from Ziziphus jujuba var. spinosa.
Chem Sci, 14, 2023
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8TYP
 | | Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | | 分子名称: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide, Complement C1s subcomponent, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Geisbrecht, B.V. | | 登録日 | 2023-08-25 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs.
J Immunol., 212, 2024
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6LT8
 | | HSP90 in complex with KW-2478 | | 分子名称: | 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide, Heat shock protein HSP 90-alpha | | 著者 | Cao, H.L. | | 登録日 | 2020-01-21 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.593 Å) | | 主引用文献 | Anti-NSCLC activity in vitro of Hsp90 N inhibitor KW-2478 and complex crystal structure determination of Hsp90 N -KW-2478.
J.Struct.Biol., 213, 2021
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5XLR
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6X5Y
 | | IDO1 in complex with compound 4 | | 分子名称: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lesburg, C.A, Lammens, A. | | 登録日 | 2020-05-27 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors
To Be Published
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7YP0
 | | Crystal structure of CtGST | | 分子名称: | Glutathione S-transferase | | 著者 | Yang, J, Fan, J.P, Lei, X.G. | | 登録日 | 2022-08-02 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7.
Jacs Au, 4, 2024
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7YOC
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7RRC
 | | IDO1 IN COMPLEX WITH COMPOUND 14 | | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide | | 著者 | Lesburg, C.A. | | 登録日 | 2021-08-09 | | 公開日 | 2022-03-16 | | 最終更新日 | 2022-05-11 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
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7RRB
 | | IDO1 IN COMPLEX WITH COMPOUND 9 | | 分子名称: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lesburg, C.A. | | 登録日 | 2021-08-09 | | 公開日 | 2022-03-16 | | 最終更新日 | 2022-05-11 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
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