8IKH
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![BU of 8ikh by Molmil](/molmil-images/mine/8ikh) | Cryo-EM structure of human receptor with G proteins | 分子名称: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Shen, S.Y, Shao, Z.H. | 登録日 | 2023-02-28 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
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8IKG
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![BU of 8ikg by Molmil](/molmil-images/mine/8ikg) | Cryo-EM structure of human receptor with G proteins | 分子名称: | 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Shen, S.Y, Shao, Z.H. | 登録日 | 2023-02-28 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
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4UVD
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![BU of 4uvd by Molmil](/molmil-images/mine/4uvd) | Discovery of pyrimidine isoxazoles InhA in complex with compound 6 | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVE
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![BU of 4uve by Molmil](/molmil-images/mine/4uve) | Discovery of pyrimidine isoxazoles InhA in complex with compound 9 | 分子名称: | 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVG
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![BU of 4uvg by Molmil](/molmil-images/mine/4uvg) | Discovery of pyrimidine isoxazoles InhA in complex with compound 15 | 分子名称: | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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8IYX
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![BU of 8iyx by Molmil](/molmil-images/mine/8iyx) | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | 分子名称: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | 著者 | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | 登録日 | 2023-04-06 | 公開日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Proc.Natl.Acad.Sci.USA, 120, 2023
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3NAY
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![BU of 3nay by Molmil](/molmil-images/mine/3nay) | PDK1 in complex with inhibitor MP6 | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one | 著者 | Yan, Y, Munshi, S.K, Allison, T. | 登録日 | 2010-06-02 | 公開日 | 2010-11-24 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines J.Biol.Chem., 2010
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3NAX
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![BU of 3nax by Molmil](/molmil-images/mine/3nax) | PDK1 in complex with inhibitor MP7 | 分子名称: | 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1 | 著者 | Yan, Y, Munshi, S.K, Allison, T. | 登録日 | 2010-06-02 | 公開日 | 2010-11-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor. J.Biol.Chem., 286, 2011
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8JIL
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![BU of 8jil by Molmil](/molmil-images/mine/8jil) | Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex | 分子名称: | CHOLESTEROL, 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 | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | 登録日 | 2023-05-26 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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8JII
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![BU of 8jii by Molmil](/molmil-images/mine/8jii) | Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex | 分子名称: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | 登録日 | 2023-05-26 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | 主引用文献 | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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8JHY
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![BU of 8jhy by Molmil](/molmil-images/mine/8jhy) | Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex | 分子名称: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | 登録日 | 2023-05-25 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (2.87 Å) | 主引用文献 | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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8JIM
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![BU of 8jim by Molmil](/molmil-images/mine/8jim) | Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex | 分子名称: | (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | 登録日 | 2023-05-26 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | 主引用文献 | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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5KVT
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![BU of 5kvt by Molmil](/molmil-images/mine/5kvt) | THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB | 分子名称: | Entrectinib, GLYCEROL, High affinity nerve growth factor receptor | 著者 | Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M. | 登録日 | 2016-07-15 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials To Be Published
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5YLL
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![BU of 5yll by Molmil](/molmil-images/mine/5yll) | Structure of GH113 beta-1,4-mannanase complex with M6. | 分子名称: | beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | 著者 | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | 登録日 | 2017-10-17 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus J. Biol. Chem., 293, 2018
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5YLI
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![BU of 5yli by Molmil](/molmil-images/mine/5yli) | Complex structure of GH113 beta-1,4-mannanase | 分子名称: | beta-1,4-mannanas, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | 著者 | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | 登録日 | 2017-10-17 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus J. Biol. Chem., 293, 2018
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7FBT
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![BU of 7fbt by Molmil](/molmil-images/mine/7fbt) | Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (sp p32 2 1, MR) | 分子名称: | Chitinase, MAGNESIUM ION | 著者 | Jiang, Z.Q, Hu, S.Q, Zhu, Q, Liu, Y.C, Ma, J.W, Yan, Q.J, Gao, Y.G, Yang, S.Q. | 登録日 | 2021-07-12 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel. Biochim Biophys Acta Proteins Proteom, 1869, 2021
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6UIP
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![BU of 6uip by Molmil](/molmil-images/mine/6uip) | |
7CKX
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![BU of 7ckx by Molmil](/molmil-images/mine/7ckx) | Cryo-EM structure of A77636 bound dopamine receptor DRD1-Gs signaling complex | 分子名称: | (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | 著者 | Yan, W, Shao, Z. | 登録日 | 2020-07-20 | 公開日 | 2021-03-03 | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CRH
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![BU of 7crh by Molmil](/molmil-images/mine/7crh) | Cryo-EM structure of SKF83959 bound dopamine receptor DRD1-Gs signaling complex | 分子名称: | (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol, D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Yan, W, Shao, Z.H. | 登録日 | 2020-08-13 | 公開日 | 2021-03-03 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKY
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![BU of 7cky by Molmil](/molmil-images/mine/7cky) | Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex | 分子名称: | 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ... | 著者 | Yan, W, Shao, Z. | 登録日 | 2020-07-20 | 公開日 | 2021-03-03 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKW
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![BU of 7ckw by Molmil](/molmil-images/mine/7ckw) | Cryo-EM structure of Fenoldopam bound dopamine receptor DRD1-Gs signaling complex | 分子名称: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | 著者 | Yan, W, Shao, W. | 登録日 | 2020-07-20 | 公開日 | 2021-03-03 | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKZ
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![BU of 7ckz by Molmil](/molmil-images/mine/7ckz) | Cryo-EM structure of Dopamine and LY3154207 bound dopamine receptor DRD1-Gs signaling complex | 分子名称: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | 著者 | Yan, W, Shao, Z. | 登録日 | 2020-07-20 | 公開日 | 2021-03-03 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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5YLH
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![BU of 5ylh by Molmil](/molmil-images/mine/5ylh) | Structure of GH113 beta-1,4-mannanase | 分子名称: | beta-1,4-mannanase | 著者 | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | 登録日 | 2017-10-17 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus J. Biol. Chem., 293, 2018
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7FEE
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![BU of 7fee by Molmil](/molmil-images/mine/7fee) | Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | 著者 | Wang, X, Zhao, C, Shao, Z. | 登録日 | 2021-07-19 | 公開日 | 2022-06-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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5YLK
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![BU of 5ylk by Molmil](/molmil-images/mine/5ylk) | Complex structure of GH 113 family beta-1,4-mannanase with mannobiose | 分子名称: | beta-1,4-mannanase, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | 著者 | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | 登録日 | 2017-10-17 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase fromn Amphibacillus xylanus J. Biol. Chem., 293, 2018
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