4U7P
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![BU of 4u7p by Molmil](/molmil-images/mine/4u7p) | Crystal structure of DNMT3A-DNMT3L complex | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Wang, L, Guo, X, Li, J, Xiao, J, Yin, X, He, S, Wang, J, Xu, Y. | Deposit date: | 2014-07-31 | Release date: | 2014-11-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.821 Å) | Cite: | Structural insight into autoinhibition and histone H3-induced activation of DNMT3A Nature, 517, 2015
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7PUP
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![BU of 7pup by Molmil](/molmil-images/mine/7pup) | INOSITOL 1,3,4-TRISPHOSPHATE 5/6-KINASE 4 from Arabidopsis thaliana (AtITPK4) in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol 1,3,4-trisphosphate 5/6-kinase 4 | Authors: | Whitfield, H, He, S, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2021-09-30 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Diversification in the inositol tris/tetrakisphosphate kinase (ITPK) family: crystal structure and enzymology of the outlier AtITPK4. Biochem.J., 480, 2023
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4GQ6
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![BU of 4gq6 by Molmil](/molmil-images/mine/4gq6) | Human menin in complex with MLL peptide | Descriptor: | Histone-lysine N-methyltransferase MLL, Menin, PENTAETHYLENE GLYCOL, ... | Authors: | Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. | Deposit date: | 2012-08-22 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia. Blood, 120, 2012
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4GQ3
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![BU of 4gq3 by Molmil](/molmil-images/mine/4gq3) | Human menin with bound inhibitor MI-2 | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, Menin, ... | Authors: | Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. | Deposit date: | 2012-08-22 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia. Blood, 120, 2012
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4GPQ
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![BU of 4gpq by Molmil](/molmil-images/mine/4gpq) | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Menin, ... | Authors: | Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. | Deposit date: | 2012-08-21 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia. Blood, 120, 2012
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4GQ4
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![BU of 4gq4 by Molmil](/molmil-images/mine/4gq4) | Human menin with bound inhibitor MI-2-2 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, ... | Authors: | Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. | Deposit date: | 2012-08-22 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia. Blood, 120, 2012
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8I0C
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![BU of 8i0c by Molmil](/molmil-images/mine/8i0c) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 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 | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 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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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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6KL9
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![BU of 6kl9 by Molmil](/molmil-images/mine/6kl9) | Structure of LbCas12a-crRNA complex bound to AcrVA4 (form A complex) | Descriptor: | AcrVA4, LbCas12a, MAGNESIUM ION, ... | Authors: | Peng, R, Li, Z, Xu, Y, He, S, Peng, Q, Shi, Y, Gao, G.F. | Deposit date: | 2019-07-30 | Release date: | 2019-09-11 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural insight into multistage inhibition of CRISPR-Cas12a by AcrVA4. Proc.Natl.Acad.Sci.USA, 116, 2019
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6KLB
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![BU of 6klb by Molmil](/molmil-images/mine/6klb) | Structure of LbCas12a-crRNA complex bound to AcrVA4 (form B complex) | Descriptor: | AcrVA4, LbCas12a, MAGNESIUM ION, ... | Authors: | Peng, R, Li, Z, Xu, Y, He, S, Peng, Q, Shi, Y, Gao, G.F. | Deposit date: | 2019-07-30 | Release date: | 2019-09-11 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural insight into multistage inhibition of CRISPR-Cas12a by AcrVA4. Proc.Natl.Acad.Sci.USA, 116, 2019
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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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7Y8R
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![BU of 7y8r by Molmil](/molmil-images/mine/7y8r) | The nucleosome-bound human PBAF complex | Descriptor: | ACTB protein (Fragment), ADENOSINE-5'-DIPHOSPHATE, AT-rich interactive domain-containing protein 2, ... | Authors: | Wang, L, Yu, J, Yu, Z, Wang, Q, He, S, Xu, Y. | Deposit date: | 2022-06-24 | Release date: | 2022-12-07 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure of nucleosome-bound human PBAF complex. Nat Commun, 13, 2022
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