4HIQ
 
 | | The Structure of V122I Mutant Transthyretin in Complex with AG10 | | 分子名称: | 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin | | 著者 | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | | 登録日 | 2012-10-11 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HIS
 | | The Structure of V122I Mutant Transthyretin in Complex with Tafamidis | | 分子名称: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | 著者 | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | | 登録日 | 2012-10-11 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HTU
 | | Structure of 5-chlorouracil modified A:U base pair | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*(UCL)P*CP*GP*CP*G)-3'), GLYCEROL, ... | | 著者 | Patra, A, Egli, M. | | 登録日 | 2012-11-01 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.489 Å) | | 主引用文献 | Structure, stability and function of 5-chlorouracil modified A:U and G:U base pairs.
Nucleic Acids Res., 41, 2013
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6WB4
 | | Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine | | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ... | | 著者 | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | | 登録日 | 2020-03-26 | | 公開日 | 2021-04-21 | | 最終更新日 | 2021-12-15 | | 実験手法 | X-RAY DIFFRACTION (2.593 Å) | | 主引用文献 | The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
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6WB5
 | | Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP | | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ... | | 著者 | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | | 登録日 | 2020-03-26 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | | 主引用文献 | The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
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6WB7
 | | Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP | | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ... | | 著者 | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | | 登録日 | 2020-03-26 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
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3U3Q
 | | The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6) | | 分子名称: | Tumor necrosis factor receptor superfamily member 21 | | 著者 | Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J. | | 登録日 | 2011-10-06 | | 公開日 | 2012-05-02 | | 最終更新日 | 2013-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
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3U3P
 | | The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6) | | 分子名称: | Tumor necrosis factor receptor superfamily member 21 | | 著者 | Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J. | | 登録日 | 2011-10-06 | | 公開日 | 2012-05-02 | | 最終更新日 | 2013-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS
Acta Crystallogr.,Sect.D, 68, 2012
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3U3S
 | | The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6) | | 分子名称: | Tumor necrosis factor receptor superfamily member 21 | | 著者 | Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J. | | 登録日 | 2011-10-06 | | 公開日 | 2012-05-02 | | 最終更新日 | 2013-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
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8I0A
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6J6K
 | | Apo-state streptavidin | | 分子名称: | Streptavidin | | 著者 | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | | 登録日 | 2019-01-15 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
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6J6J
 | | Biotin-bound streptavidin | | 分子名称: | BIOTIN, Streptavidin | | 著者 | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | | 登録日 | 2019-01-15 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
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6AK4
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | 分子名称: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | 著者 | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | 登録日 | 2018-08-30 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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6AEJ
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | 分子名称: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | 著者 | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | 登録日 | 2018-08-05 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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7FIN
 | | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GIPR-Gs complex | | 分子名称: | CHOLESTEROL, GAMMA-L-GLUTAMIC ACID, Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, ... | | 著者 | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | 登録日 | 2021-07-31 | | 公開日 | 2022-02-23 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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7FIY
 | | Cryo-EM structure of the tirzepatide-bound human GIPR-Gs complex | | 分子名称: | CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | 登録日 | 2021-08-01 | | 公開日 | 2022-03-02 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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7FIM
 | | Cryo-EM structure of the tirzepatide (LY3298176)-bound human GLP-1R-Gs complex | | 分子名称: | Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,human glucagon like peptide 1 receptor, 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, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | 登録日 | 2021-07-31 | | 公開日 | 2022-03-02 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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5GT1
 | | crystal structure of cbpa from L. salivarius REN | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Choline binding protein A, ... | | 著者 | Jiang, L, Ren, F. | | 登録日 | 2016-08-18 | | 公開日 | 2017-07-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The Adhesion of Lactobacillus salivarius REN to a Human Intestinal Epithelial Cell Line Requires S-layer Proteins
Sci Rep, 7, 2017
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5ULA
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3Q8H
 | | Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028 | | 分子名称: | 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine, ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2011-01-06 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 23, 2013
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8I0C
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | 分子名称: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | 登録日 | 2023-01-10 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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8UVL
 | | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | | 分子名称: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | | 登録日 | 2023-11-03 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 2024
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6OQL
 | | CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | | 分子名称: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6 | | 著者 | Murray, J.M. | | 登録日 | 2019-04-26 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.707 Å) | | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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6OQO
 | | CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine | | 分子名称: | Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | | 著者 | Murray, J.M, Boenig, G.D.L. | | 登録日 | 2019-04-26 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.977 Å) | | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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6OQI
 | | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | | 分子名称: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | | 著者 | Murray, J.M. | | 登録日 | 2019-04-26 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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