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7YJF
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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
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
7YDE
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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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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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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
7YJH
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BU of 7yjh by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87V/T268I 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 (1.792 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
5BOA
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Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb bound to the disaccharide receptor Gb2
分子名称: Translation initiation factor 2 (IF-2 GTPase), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose
著者Zhang, C, Yu, Y, Yang, M, Jiang, Y.
登録日2015-05-27
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structural basis of the interaction between the meningitis pathogen Streptococcus suis adhesin Fhb and its human receptor.
Febs Lett., 590, 2016
4EF4
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BU of 4ef4 by Molmil
Crystal structure of STING CTD complex with c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173
著者Ouyang, S, Ru, H, Shaw, N, Jiang, Y, Niu, F, Zhu, Y, Qiu, W, Li, Y, Liu, Z.-J.
登録日2012-03-29
公開日2012-05-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Structural analysis of the STING adaptor protein reveals a hydrophobic dimer interface and mode of cyclic di-GMP binding
Immunity, 36, 2012
4EF5
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Crystal structure of STING CTD
分子名称: Transmembrane protein 173
著者Ouyang, S, Ru, H, Shaw, N, Jiang, Y, Niu, F, Zhu, Y, Qiu, W, Li, Y, Liu, Z.-J.
登録日2012-03-29
公開日2012-05-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural analysis of the STING adaptor protein reveals a hydrophobic dimer interface and mode of cyclic di-GMP binding
Immunity, 36, 2012
2AEF
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BU of 2aef by Molmil
Crystal Structures of the MthK RCK Domain in Ca2+ bound form
分子名称: CALCIUM ION, Calcium-gated potassium channel mthK
著者Dong, J, Shi, N, Berke, I, Chen, L, Jiang, Y.
登録日2005-07-22
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of the MthK RCK Domain and the Effect of Ca2+ on Gating Ring Stability
J.Biol.Chem., 280, 2005
2AHY
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Na+ complex of the NaK Channel
分子名称: CALCIUM ION, Potassium channel protein, SODIUM ION
著者Shi, N, Ye, S, Alam, A, Chen, L, Jiang, Y.
登録日2005-07-28
公開日2006-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Atomic structure of a Na+- and K+-conducting channel.
Nature, 440, 2006
5JCP
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BU of 5jcp by Molmil
RhoGAP domain of ARAP3 in complex with RhoA in the transition state
分子名称: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3,Linker,Transforming protein RhoA, GUANOSINE-5'-DIPHOSPHATE, ...
著者Bao, H, Li, F, Wang, C, Wang, N, Jiang, Y, Tang, Y, Wu, J, Shi, Y.
登録日2016-04-15
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for the Specific Recognition of RhoA by the Dual GTPase-activating Protein ARAP3
J.Biol.Chem., 291, 2016
4MZ4
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BU of 4mz4 by Molmil
Discovery of an Irreversible HCV NS5B Polymerase Inhibitor
分子名称: 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
著者Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A.
登録日2013-09-29
公開日2013-12-11
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
3U4R
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Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides
分子名称: 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, RNA-directed RNA polymerase
著者Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannagrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A.
登録日2011-10-10
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
3U4O
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Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides
分子名称: 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
著者Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannigrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A.
登録日2011-10-10
公開日2011-12-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
2YOJ
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HCV NS5B polymerase complexed with pyridonylindole compound
分子名称: 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
著者Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G.
登録日2012-10-24
公開日2013-10-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
8GY7
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Cryo-EM structure of ACTH-bound melanocortin-2 receptor in complex with MRAP1 and Gs protein
分子名称: CALCIUM ION, Corticotropin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Luo, P, Feng, W.B, Ma, S.S, Dai, A.T, Yuan, Q.N, Wu, K, Yang, D.H, Wang, M.W, Xu, H.E, Jiang, Y.
登録日2022-09-21
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of signaling regulation of the human melanocortin-2 receptor by MRAP1.
Cell Res., 33, 2023
5TUA
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structure of a Na+-selective mutant of two-pore channel from Arabidopsis thaliana AtTPC1
分子名称: BARIUM ION, CALCIUM ION, SODIUM ION, ...
著者Guo, J, Zeng, W, Jiang, Y.
登録日2016-11-05
公開日2017-01-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Tuning the ion selectivity of two-pore channels.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8WZ2
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Structure of 26RFa-pyroglutamylated RFamide peptide receptor complex
分子名称: G-alpha q, 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, ...
著者Jin, S, Li, X, Xu, Y, Guo, S, Wu, C, Zhang, H, Yuan, Q, Xu, H.E, Xie, X, Jiang, Y.
登録日2023-11-01
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structural basis for recognition of 26RFa by the pyroglutamylated RFamide peptide receptor.
Cell Discov, 10, 2024
7LFY
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Cryo-EM structure of human cGMP-bound open CNGA1 channel in Na+
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-19
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFT
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Cryo-EM structure of human Apo CNGA1 channel in K+/Ca2+
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, POTASSIUM ION, ...
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-18
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFX
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Cryo-EM structure of human cGMP-bound open CNGA1 channel in Na+/Ca2+
分子名称: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-19
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFW
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Cryo-EM structure of human cGMP-bound open CNGA1 channel in K+/Ca2+
分子名称: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-18
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LG1
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Cryo-EM structure of human cGMP-bound CNGA1_E365Q channel in Na+/Ca2+
分子名称: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-19
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021

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