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4U88
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BU of 4u88 by Molmil
Structure of the DNA-Binding Domain of the Response Regulator SaeR from Staphylococcus aureus
分子名称: Transcriptional regulator SaeR
著者Liu, J.S, Huang, C.H, Yang, C.S, Chen, S.C, Chen, Y.
登録日2014-08-01
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.355 Å)
主引用文献Structure of the DNA-Binding Domain of the Response Regulator SaeR from Staphylococcus aureus
To Be Published
4V8X
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BU of 4v8x by Molmil
Structure of Thermus thermophilus ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Feng, S, Chen, Y, Kamada, K, Wang, H, Tang, K, Wang, M, Gao, Y.G.
登録日2013-07-19
公開日2014-07-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Yoeb-Ribosome Structure: A Canonical Rnase that Requires the Ribosome for its Specific Activity.
Nucleic Acids Res., 41, 2013
7MP7
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BU of 7mp7 by Molmil
Rules for designing protein fold switches and their implications for the folding code
分子名称: Sb3
著者He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
登録日2021-05-04
公開日2022-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MN1
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BU of 7mn1 by Molmil
Rules for designing protein fold switches and their implications for the folding code
分子名称: Sa1
著者He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
登録日2021-04-30
公開日2022-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MQ4
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BU of 7mq4 by Molmil
Rules for designing protein fold switches and their implications for the folding code
分子名称: Sb1
著者He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
登録日2021-05-05
公開日2022-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
5DI0
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BU of 5di0 by Molmil
Crystal structure of Dln1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
登録日2015-08-31
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
7RSJ
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BU of 7rsj by Molmil
Structure of the VPS34 kinase domain with compound 14
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
著者Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
登録日2021-08-11
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSP
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BU of 7rsp by Molmil
Structure of the VPS34 kinase domain with compound 14
分子名称: (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
登録日2021-08-11
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSV
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BU of 7rsv by Molmil
Structure of the VPS34 kinase domain with compound 5
分子名称: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
著者Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
登録日2021-08-11
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
9MJ9
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BU of 9mj9 by Molmil
Condensing wing of FASN with phosphopantetheine-modified partial ACP
分子名称: Fatty acid synthase
著者Choi, W, Li, C, Chen, Y, Wang, Y, Cheng, Y.
登録日2024-12-14
公開日2025-02-26
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Structural dynamics of human fatty acid synthase in the condensing cycle.
Nature, 641, 2025
5K5T
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BU of 5k5t by Molmil
Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
著者Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
登録日2016-05-23
公開日2016-08-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
2IE3
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BU of 2ie3 by Molmil
Structure of the Protein Phosphatase 2A Core Enzyme Bound to Tumor-inducing Toxins
分子名称: MANGANESE (II) ION, Protein Phosphatase 2, regulatory subunit A (PR 65), ...
著者Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y.
登録日2006-09-17
公開日2006-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
4CXY
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BU of 4cxy by Molmil
Crystal structure of human FTO in complex with acylhydrazine inhibitor 21
分子名称: (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CXX
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BU of 4cxx by Molmil
Crystal structure of human FTO in complex with acylhydrazine inhibitor 16
分子名称: (2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CXW
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BU of 4cxw by Molmil
Crystal structure of human FTO in complex with subfamily-selective inhibitor 12
分子名称: (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4D6V
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BU of 4d6v by Molmil
Crystal structure of signal transducing protein
分子名称: G PROTEIN BETA SUBUNIT GIB2
著者Ero, R, Dimitrova, V.T, Chen, Y, Bu, W, Feng, S, Liu, T, Wang, P, Xue, C, Tan, S.M, Gao, Y.G.
登録日2014-11-17
公開日2015-03-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Gib2, a Signal-Transducing Protein Scaffold Associated with Ribosomes in Cryptococcus Neoformans.
Sci.Rep., 5, 2015
4UAI
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BU of 4uai by Molmil
Crystal structure of CXCL12 in complex with inhibitor
分子名称: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
著者Smith, E.W, Chen, Y.
登録日2014-08-09
公開日2014-11-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine.
J.Med.Chem., 57, 2014
4UA9
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BU of 4ua9 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Boronic Acid Acylation Transition State Analog at Sub-Angstrom Resolution
分子名称: Beta-lactamase CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Nichols, D.A, Chen, Y.
登録日2014-08-08
公開日2015-06-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UAA
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BU of 4uaa by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
分子名称: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
著者Nichols, D.A, Chen, Y.
登録日2014-08-08
公開日2015-06-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
3J2H
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BU of 3j2h by Molmil
Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM
分子名称: 16S rRNA
著者Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N.
登録日2012-09-28
公開日2013-01-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (18.799999 Å)
主引用文献Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process.
Nucleic Acids Res., 41, 2013
4UA6
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BU of 4ua6 by Molmil
CTX-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution
分子名称: Beta-lactamase CTX-M-14, PHOSPHATE ION, POTASSIUM ION
著者Nichols, D.A, Chen, Y.
登録日2014-08-08
公開日2015-06-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (0.79 Å)
主引用文献Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
3J2B
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BU of 3j2b by Molmil
Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM
分子名称: 16S rRNA
著者Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N.
登録日2012-09-28
公開日2013-01-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (13.6 Å)
主引用文献Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process
Nucleic Acids Res., 41, 2013
3J2A
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BU of 3j2a by Molmil
Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM
分子名称: 16S rRNA
著者Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N.
登録日2012-09-28
公開日2013-01-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (13.1 Å)
主引用文献Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process
Nucleic Acids Res., 41, 2013
6EFJ
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BU of 6efj by Molmil
Crystal structure of NDM-1 with compound 9
分子名称: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION
著者Akhtar, A, Chen, Y.
登録日2018-08-16
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
7RN0
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BU of 7rn0 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R
分子名称: (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, 3C-like proteinase, GLYCEROL
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-08-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021

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