8W9A
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![BU of 8w9a by Molmil](/molmil-images/mine/8w9a) | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site | 分子名称: | 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Huang, X, Ren, X, Zhong, W. | 登録日 | 2023-09-05 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 2024
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8E59
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![BU of 8e59 by Molmil](/molmil-images/mine/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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8E5B
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![BU of 8e5b by Molmil](/molmil-images/mine/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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8E57
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![BU of 8e57 by Molmil](/molmil-images/mine/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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8E5A
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![BU of 8e5a by Molmil](/molmil-images/mine/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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8E56
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![BU of 8e56 by Molmil](/molmil-images/mine/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
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![BU of 8e58 by Molmil](/molmil-images/mine/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
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![BU of 4wvd by Molmil](/molmil-images/mine/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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7DMO
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7DMN
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![BU of 7dmn by Molmil](/molmil-images/mine/7dmn) | Crystal structure of two pericyclases catalyzing [4+2] cycloaddition | 分子名称: | Diels-Alderase fsa2, GLYCEROL | 著者 | Chi, C.B, Wang, Z.D, Liu, T, Zhang, Z.Y, Ma, M. | 登録日 | 2020-12-04 | 公開日 | 2021-10-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis. Acs Omega, 6, 2021
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3GAD
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![BU of 3gad by Molmil](/molmil-images/mine/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
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![BU of 3gac by Molmil](/molmil-images/mine/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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8WE7
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![BU of 8we7 by Molmil](/molmil-images/mine/8we7) | Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 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 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WE6
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![BU of 8we6 by Molmil](/molmil-images/mine/8we6) | Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WEA
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![BU of 8wea by Molmil](/molmil-images/mine/8wea) | Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 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, Fan, X, Yan, N. | 登録日 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WE8
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![BU of 8we8 by Molmil](/molmil-images/mine/8we8) | Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine, amlodipine and pinaverium at 2.9 Angstrom resolution | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8WE9
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![BU of 8we9 by Molmil](/molmil-images/mine/8we9) | Human L-type voltage-gated calcium channel Cav1.2 (Class I) in the presence of pinaverium at 3.0 Angstrom resolution | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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, Fan, X, Yan, N. | 登録日 | 2023-09-17 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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3SHZ
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![BU of 3shz by Molmil](/molmil-images/mine/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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3SHY
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![BU of 3shy by Molmil](/molmil-images/mine/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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3NKS
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![BU of 3nks by Molmil](/molmil-images/mine/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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5D0Q
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![BU of 5d0q by Molmil](/molmil-images/mine/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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5D0O
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![BU of 5d0o by Molmil](/molmil-images/mine/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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3SIE
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![BU of 3sie by Molmil](/molmil-images/mine/3sie) | |
6LQC
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![BU of 6lqc by Molmil](/molmil-images/mine/6lqc) | |
6ORO
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![BU of 6oro by Molmil](/molmil-images/mine/6oro) | Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab874NHP | 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, Ab874NHP antibody Fab heavy chain, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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