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7VHP
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Structural insights into the membrane microdomain organization by SPFH family proteins
分子名称: ATP-dependent zinc metalloprotease FtsH, Modulator of FtsH protease HflC, Protein HflK
著者Ma, C.Y, Wang, C.K, Luo, D.Y, Yan, L, Yang, W.X, Li, N.N, Gao, N.
登録日2021-09-22
公開日2022-03-23
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural insights into the membrane microdomain organization by SPFH family proteins.
Cell Res., 32, 2022
8HDV
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BU of 8hdv by Molmil
De novo design cavitated protein without predefined topology
分子名称: De novo design cavitated protein
著者Hu, X, Xu, Y.
登録日2022-11-06
公開日2023-01-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8HDU
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BU of 8hdu by Molmil
De novo design cavitated protein without predefined topology
分子名称: De novo design cavitated protein
著者Hu, X, Xu, Y.
登録日2022-11-06
公開日2023-01-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
7YD9
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BU of 7yd9 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YDA
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BU of 7yda by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87V/T268V/A184V in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.557 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YDB
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BU of 7ydb by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,ethylbenzene and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.472 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YDD
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BU of 7ydd by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,propylbenzene and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, HYDROXYAMINE, P450 BM3 heme domain mutant F87A/T268P/V78I, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.663 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YDC
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BU of 7ydc by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87L/T268V/V78C in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.609 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YJF
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BU of 7yjf by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, HYDROXYAMINE, P450 BM3 heme domain mutant F87A/T268P/V78I, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-20
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.515 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YDE
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BU of 7yde by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YFT
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BU of 7yft by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, 2,3-dihydro-1H-indene, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-09
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YJE
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BU of 7yje by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, ACETATE ION, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-20
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YJG
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BU of 7yjg by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-20
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
9D53
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BU of 9d53 by Molmil
PAK4 in complex with compound 7
分子名称: N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4
著者Boone, C.D, Olland, A.M, Suto, R.K.
登録日2024-08-13
公開日2025-04-02
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 2025
8FA1
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BU of 8fa1 by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with N969K mutation
分子名称: Ferritin, Dps family protein and Spike protein S2' chimera, Spike protein S2' HR2
著者Yang, K, Brunger, A.T.
登録日2022-11-25
公開日2023-03-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FA2
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Cryo-EM structure of the SARS-CoV-2 Omicron HR1-42G complex
分子名称: Scaffolded Spike protein S2' HR1, Spike protein S2' 42G
著者Yang, K, Brunger, A.T.
登録日2022-11-25
公開日2023-03-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
4DRX
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BU of 4drx by Molmil
GTP-Tubulin in complex with a DARPIN
分子名称: Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Pecqueur, L, Gigant, B, Knossow, M.
登録日2012-02-17
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献A designed ankyrin repeat protein selected to bind to tubulin caps the microtubule plus end.
Proc.Natl.Acad.Sci.USA, 109, 2012
4KB5
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BU of 4kb5 by Molmil
Crystal structure of MycP1 from Mycobacterium smegmatis
分子名称: GLYCEROL, Membrane-anchored mycosin mycp1
著者Sun, D.M, He, Y, Tian, C.L.
登録日2013-04-23
公開日2014-02-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The putative propeptide of MycP1 in mycobacterial type VII secretion system does not inhibit protease activity but improves protein stability.
Protein Cell, 4, 2013
9JUY
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X-ray crystal structure of Y16513 in CBP
分子名称: (5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE
著者Hu, J, Zhang, C, Luo, G, Tang, X, Wu, T, Shen, H, Zhao, X, Wu, X, Smaill, J, Zhang, Y, Xu, Y, Xiang, Q.
登録日2024-10-08
公開日2025-03-12
最終更新日2025-06-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 5-imidazole-3-methylbenz[d]isoxazole derivatives as potent and selective CBP/p300 bromodomain inhibitors for the treatment of acute myeloid leukemia.
Acta Pharmacol.Sin., 46, 2025
9JUT
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X-ray crystal structure of Y16524 in EP300
分子名称: (6~{S})-1-(3-chloranyl-4-methoxy-phenyl)-6-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]piperidin-2-one, Histone acetyltransferase p300
著者Hu, J, Zhang, C, Luo, G, Tang, X, Wu, T, Shen, H, Zhao, X, Wu, X, Smaill, J, Zhang, Y, Xu, Y, Xiang, Q.
登録日2024-10-08
公開日2025-03-12
最終更新日2025-06-04
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery of 5-imidazole-3-methylbenz[d]isoxazole derivatives as potent and selective CBP/p300 bromodomain inhibitors for the treatment of acute myeloid leukemia.
Acta Pharmacol.Sin., 46, 2025
9JUU
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BU of 9juu by Molmil
X-ray crystal structure of Y16515 in CBP
分子名称: (5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{R})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Hu, J, Zhang, C, Luo, G, Tang, X, Wu, T, Shen, H, Zhao, X, Wu, X, Smaill, J, Zhang, Y, Xu, Y, Xiang, Q.
登録日2024-10-08
公開日2025-03-12
最終更新日2025-06-04
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of 5-imidazole-3-methylbenz[d]isoxazole derivatives as potent and selective CBP/p300 bromodomain inhibitors for the treatment of acute myeloid leukemia.
Acta Pharmacol.Sin., 46, 2025
7WMW
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BU of 7wmw by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis
分子名称: Methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMY
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BU of 7wmy by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5-methyltetrahydrofolate
分子名称: methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.266 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMX
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Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5,10-methylenetetrahydrofolate
分子名称: Methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.264 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMZ
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Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.916 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023

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