7Y1A
 
 | | Lateral hexamer | | 分子名称: | B-phycoerythrin beta chain, LRH, PHYCOERYTHROBILIN, ... | | 著者 | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F. | | 登録日 | 2022-06-07 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (6.3 Å) | | 主引用文献 | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Nature, 616, 2023
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7Y7A
 | | In situ double-PBS-PSII-PSI-LHCs megacomplex from Porphyridium purpureum. | | 分子名称: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F. | | 登録日 | 2022-06-22 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Nature, 616, 2023
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7Y4L
 | | PBS of PBS-PSII-PSI-LHCs from Porphyridium purpureum. | | 分子名称: | Allophycocyanin alpha subunit, Allophycocyanin beta 18 subunit, Allophycocyanin beta subunit, ... | | 著者 | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F. | | 登録日 | 2022-06-15 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Nature, 616, 2023
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7Y5E
 | | In situ single-PBS-PSII-PSI-LHCs megacomplex. | | 分子名称: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sui, S.F. | | 登録日 | 2022-06-17 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-04-26 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Nature, 616, 2023
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7X3L
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | | 分子名称: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | | 登録日 | 2022-03-01 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.86 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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7X3M
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | | 分子名称: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | | 登録日 | 2022-03-01 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.694 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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6B4U
 | | Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | | 分子名称: | 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Judge, R.A, Souers, A.J. | | 登録日 | 2017-09-27 | | 公開日 | 2017-10-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
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6B4L
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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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8HNC
 | | Cryo-EM structure of human OATP1B1 in complex with bilirubin | | 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, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ... | | 著者 | Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y. | | 登録日 | 2022-12-07 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | ELECTRON MICROSCOPY (3.73 Å) | | 主引用文献 | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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8HND
 | | Cryo-EM structure of human OATP1B1 in complex with estrone-3-sulfate | | 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, Solute carrier organic anion transporter family member 1B1, ... | | 著者 | Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y. | | 登録日 | 2022-12-07 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | | 主引用文献 | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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8HTX
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8HNB
 | | Cryo-EM structure of human OATP1B1 in apo state | | 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, Solute carrier organic anion transporter family member 1B1 | | 著者 | Shan, Z, Yang, X, Zhang, Y. | | 登録日 | 2022-12-07 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | | 主引用文献 | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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8HNH
 | | Cryo-EM structure of human OATP1B1 in complex with simeprevir | | 分子名称: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 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 | Shan, Z, Yang, X, Zhang, Y. | | 登録日 | 2022-12-07 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | ELECTRON MICROSCOPY (3.73 Å) | | 主引用文献 | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
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4IVC
 | | JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE | | 分子名称: | (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1 | | 著者 | Eigenbrot, C, Shia, S. | | 登録日 | 2013-01-22 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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4IVD
 | | JAK1 kinase (JH1 domain) in complex with compound 34 | | 分子名称: | 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1 | | 著者 | Eigenbrot, C, Steffek, M. | | 登録日 | 2013-01-22 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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4JI9
 | | JAK2 kinase (JH1 domain) in complex with TG101209 | | 分子名称: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2 | | 著者 | Eigenbrot, C, Ultsch, M. | | 登録日 | 2013-03-05 | | 公開日 | 2013-08-07 | | 最終更新日 | 2013-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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7VEH
 | | Type I-F Anti-CRISPR protein AcrIF13 | | 分子名称: | AcrIF13 | | 著者 | Gao, T, Feng, Y. | | 登録日 | 2021-09-08 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
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4IVB
 | | JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE | | 分子名称: | Tyrosine-protein kinase JAK1, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | | 著者 | Eigenbrot, C, Steffek, M. | | 登録日 | 2013-01-22 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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4JAJ
 | | Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE | | 分子名称: | Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one | | 著者 | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | | 登録日 | 2013-02-18 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4JAI
 | | Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | | 分子名称: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | | 著者 | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | | 登録日 | 2013-02-18 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4LXD
 | | Bcl_2-Navitoclax Analog (without Thiophenyl) Complex | | 分子名称: | 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2 | | 著者 | Park, C.H. | | 登録日 | 2013-07-29 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
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4JIA
 | | JAK2 kinase (JH1 domain) in complex with compound 9 | | 分子名称: | 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Eigenbrot, C, Ultsch, M. | | 登録日 | 2013-03-05 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4IVA
 | | JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | | 分子名称: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | | 著者 | Eigenbrot, C, Shia, S. | | 登録日 | 2013-01-22 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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4MAN
 | | Bcl_2-Navitoclax Analog (with Indole) Complex | | 分子名称: | 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Park, C.H. | | 登録日 | 2013-08-16 | | 公開日 | 2014-01-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
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