6IGD
 
 | | Crystal structure of HPV58/33 chimeric L1 pentamer | | 分子名称: | Major capsid protein L1 | | 著者 | Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W. | | 登録日 | 2018-09-25 | | 公開日 | 2018-11-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
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3LHG
 | | Bace1 in complex with the aminohydantoin Compound 4g | | 分子名称: | (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | | 著者 | Olland, A.M. | | 登録日 | 2010-01-22 | | 公開日 | 2010-04-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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8E5B
 | | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone and Sofosbuvir at 3.3 Angstrom resolution | | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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8E59
 | | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution | | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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8E5A
 | | Human L-type voltage-gated calcium channel Cav1.3 treated with 1.4 mM Sofosbuvir at 3.3 Angstrom resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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8E57
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution | | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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8E56
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution | | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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8E58
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution | | 分子名称: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-08-20 | | 公開日 | 2022-12-07 | | 最終更新日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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4WVD
 | | Identification of a novel FXR ligand that regulates metabolism | | 分子名称: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | | 著者 | Wang, R, Li, Y. | | 登録日 | 2014-11-05 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
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6IUG
 | | Cryo-EM structure of the plant actin filaments from Zea mays pollen | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, pollen F-actin | | 著者 | Ren, Z.H, Zhang, Y, Zhang, Y, He, Y.Q, Du, P.Z, Wang, Z.X, Sun, F, Ren, H.Y. | | 登録日 | 2018-11-28 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Cryo-EM Structure of Actin Filaments fromZea maysPollen.
Plant Cell, 31, 2019
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3GAD
 | | Structure of apomif | | 分子名称: | ACETIC ACID, Macrophage migration inhibitory factor-like protein, SULFATE ION | | 著者 | Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H. | | 登録日 | 2009-02-17 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host
Mol.Immunol., 47, 2010
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3GAC
 | | Structure of mif with HPP | | 分子名称: | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, Macrophage migration inhibitory factor-like protein, ... | | 著者 | Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H. | | 登録日 | 2009-02-17 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host
Mol.Immunol., 47, 2010
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3SIE
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3SHY
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Chen, T, Xu, Y.C. | | 登録日 | 2011-06-17 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.647 Å) | | 主引用文献 | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
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3SHZ
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Chen, T, Xu, Y.C. | | 登録日 | 2011-06-17 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | | 主引用文献 | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
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3NKS
 | | Structure of human protoporphyrinogen IX oxidase | | 分子名称: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Shen, Y. | | 登録日 | 2010-06-21 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural insight into human variegate porphyria disease
Faseb J., 25, 2011
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6VJT
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8YAN
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8YAM
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5D0O
 | | BamABCDE complex, outer membrane beta barrel assembly machinery entire complex | | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | 著者 | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | | 登録日 | 2015-08-03 | | 公開日 | 2016-03-09 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
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5D0Q
 | | BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex | | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ... | | 著者 | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | | 登録日 | 2015-08-03 | | 公開日 | 2016-03-09 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
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5GSA
 | | EED in complex with an allosteric PRC2 inhibitor | | 分子名称: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-08-15 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
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4G2W
 | | Crystal structure of PDE5A in complex with its inhibitor | | 分子名称: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | 著者 | Ren, J, Chen, T.T, Xu, Y.C. | | 登録日 | 2012-07-13 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
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4G2Y
 | | Crystal structure of PDE5A complexed with its inhibitor | | 分子名称: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | 著者 | Ren, J, Chen, T.T, Xu, Y.C. | | 登録日 | 2012-07-13 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
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8ERA
 | | RMC-5552 in complex with mTORC1 and FKBP12 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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