7XTZ
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![BU of 7xtz by Molmil](/molmil-images/mine/7xtz) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-1 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU1
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![BU of 7xu1 by Molmil](/molmil-images/mine/7xu1) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-122 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU4
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![BU of 7xu4 by Molmil](/molmil-images/mine/7xu4) | Structure of SARS-CoV-2 D614G Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-2 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU5
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![BU of 7xu5 by Molmil](/molmil-images/mine/7xu5) | Structure of SARS-CoV-2 D614G Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU3
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![BU of 7xu3 by Molmil](/molmil-images/mine/7xu3) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU6
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![BU of 7xu6 by Molmil](/molmil-images/mine/7xu6) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), incubated in Low pH after 40-Day Storage in PBS, Locked-2 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7Y1A
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![BU of 7y1a by Molmil](/molmil-images/mine/7y1a) | Lateral hexamer | Descriptor: | B-phycoerythrin beta chain, LRH, PHYCOERYTHROBILIN, ... | Authors: | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F. | Deposit date: | 2022-06-07 | Release date: | 2023-01-18 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex. Nature, 616, 2023
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7Y7A
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![BU of 7y7a by Molmil](/molmil-images/mine/7y7a) | In situ double-PBS-PSII-PSI-LHCs megacomplex from Porphyridium purpureum. | Descriptor: | (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, ... | Authors: | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F. | Deposit date: | 2022-06-22 | Release date: | 2023-02-08 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex. Nature, 616, 2023
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7Y4L
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![BU of 7y4l by Molmil](/molmil-images/mine/7y4l) | PBS of PBS-PSII-PSI-LHCs from Porphyridium purpureum. | Descriptor: | Allophycocyanin alpha subunit, Allophycocyanin beta 18 subunit, Allophycocyanin beta subunit, ... | Authors: | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F. | Deposit date: | 2022-06-15 | Release date: | 2023-01-18 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex. Nature, 616, 2023
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7Y5E
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![BU of 7y5e by Molmil](/molmil-images/mine/7y5e) | In situ single-PBS-PSII-PSI-LHCs megacomplex. | Descriptor: | (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, ... | Authors: | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sui, S.F. | Deposit date: | 2022-06-17 | Release date: | 2023-02-01 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex. Nature, 616, 2023
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7VRD
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![BU of 7vrd by Molmil](/molmil-images/mine/7vrd) | |
7V67
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![BU of 7v67 by Molmil](/molmil-images/mine/7v67) | |
7XKG
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![BU of 7xkg by Molmil](/molmil-images/mine/7xkg) | Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of Roseiflexus castenholzii | Descriptor: | Acyl-CoA transferase/carnitine dehydratase-like protein | Authors: | Min, Z.Z, Fan, C.P, Wu, W.P, Xin, Y.Y, Liu, M.H, Zhang, X, Wang, Z.G, Xu, X.L. | Deposit date: | 2022-04-19 | Release date: | 2022-06-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of an Intramolecular Mesaconyl-Coenzyme A Transferase From the 3-Hydroxypropionic Acid Cycle of Roseiflexus castenholzii . Front Microbiol, 13, 2022
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7X0X
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![BU of 7x0x by Molmil](/molmil-images/mine/7x0x) | |
7X0Y
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![BU of 7x0y by Molmil](/molmil-images/mine/7x0y) | |
7XQP
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![BU of 7xqp by Molmil](/molmil-images/mine/7xqp) | PSI-LHCI-LHCII-Lhcb9 supercomplex of Physcomitrella patens | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Zhang, S, Tang, K.L, Li, X.Y, Wang, W.D, Yan, Q.J, Shen, L.L, Kuang, T.Y, Han, G.Y, Shen, J.R, Zhang, X. | Deposit date: | 2022-05-08 | Release date: | 2023-04-26 | Last modified: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural insights into a unique PSI-LHCI-LHCII-Lhcb9 supercomplex from moss Physcomitrium patens. Nat.Plants, 9, 2023
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7VKM
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![BU of 7vkm by Molmil](/molmil-images/mine/7vkm) | Crystal structure of TrkA (G595R) kinase domain | Descriptor: | Tyrosine-protein kinase receptor | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | Deposit date: | 2021-09-30 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol.Cancer Ther., 20, 2021
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7VKO
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![BU of 7vko by Molmil](/molmil-images/mine/7vko) | Crystal structure of TrkA kinase with repotrectinib | Descriptor: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | Deposit date: | 2021-09-30 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol.Cancer Ther., 20, 2021
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7VKN
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![BU of 7vkn by Molmil](/molmil-images/mine/7vkn) | Crystal structure of TrkA (G595R) kinase with repotrectinib | Descriptor: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | Deposit date: | 2021-09-30 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol.Cancer Ther., 20, 2021
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7WQR
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![BU of 7wqr by Molmil](/molmil-images/mine/7wqr) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28 | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQS
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![BU of 7wqs by Molmil](/molmil-images/mine/7wqs) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-26 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQM
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![BU of 7wqm by Molmil](/molmil-images/mine/7wqm) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7X3O
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![BU of 7x3o by Molmil](/molmil-images/mine/7x3o) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 | Descriptor: | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | 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. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 To Be Published
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7X3L
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![BU of 7x3l by Molmil](/molmil-images/mine/7x3l) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 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
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![BU of 7x3m by Molmil](/molmil-images/mine/7x3m) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | 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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