8GXS
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![BU of 8gxs by Molmil](/molmil-images/mine/8gxs) | PIC-Mediator in complex with +1 nucleosome (T40N) in H-binding state | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X. | Deposit date: | 2022-09-21 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | Structures of +1 nucleosome-bound PIC-Mediator complex. Science, 378, 2022
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8GZD
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5Z10
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![BU of 5z10 by Molmil](/molmil-images/mine/5z10) | Structure of the mechanosensitive Piezo1 channel | Descriptor: | Piezo-type mechanosensitive ion channel component 1 | Authors: | Zhao, Q, Zhou, H, Chi, S, Wang, Y, Wang, J, Geng, J, Wu, K, Liu, W, Zhang, T, Dong, M.-Q, Wang, J, Li, X, Xiao, B. | Deposit date: | 2017-12-22 | Release date: | 2018-01-31 | Last modified: | 2020-01-29 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Structure and mechanogating mechanism of the Piezo1 channel. Nature, 554, 2018
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5Z8O
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7XP7
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![BU of 7xp7 by Molmil](/molmil-images/mine/7xp7) | Crystal Structure of the Flavoprotein ColB1 Catalyzing Assembly Line-Tethered Cysteine Dehydrogenation | Descriptor: | Cyclohexanecarboxyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Ma, X.Y, Tang, Z.J, Liu, W, Ma, M. | Deposit date: | 2022-05-03 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Mechanistic Insights into ColB1, a Flavoprotein Functioning in-trans in the 2,2'-Bipyridine Assembly Line for Cysteine Dehydrogenation. Acs Chem.Biol., 18, 2023
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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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7EL7
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![BU of 7el7 by Molmil](/molmil-images/mine/7el7) | NMR solution structure of the 1:1 complex of a quadruplex-duplex hybrid MYT1L and a platinum(II) ligand L1Pt(dien) | Descriptor: | G-quadruplex DNA MYT1L, Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | Authors: | Liu, L.-Y, Liu, W, Mao, Z.-W. | Deposit date: | 2021-04-08 | Release date: | 2021-12-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Spatial Matching Selectivity and Solution Structure of Organic-Metal Hybrid to Quadruplex-Duplex Hybrid. Angew.Chem.Int.Ed.Engl., 60, 2021
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7CMA
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![BU of 7cma by Molmil](/molmil-images/mine/7cma) | Structure of A151R from African swine fever virus Georgia | Descriptor: | A151R, ZINC ION | Authors: | Niu, D, Liu, K, Huang, J, Chen, C, Liu, W, Guo, R. | Deposit date: | 2020-07-26 | Release date: | 2021-06-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure basis of non-structural protein pA151R from African Swine Fever Virus. Biochem.Biophys.Res.Commun., 532, 2020
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7X3A
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![BU of 7x3a by Molmil](/molmil-images/mine/7x3a) | NMR solution structure of the 1:1 complex of a pyridostatin (PDS) bound to a G-quadruplex MYT1L | Descriptor: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide, G-quadruplex DNA MYT1L | Authors: | Liu, L.-Y, Mao, Z.-W, Liu, W. | Deposit date: | 2022-02-28 | Release date: | 2022-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of Pyridostatin and Its Derivatives Specifically Binding to G-Quadruplexes. J.Am.Chem.Soc., 144, 2022
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7X2Z
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![BU of 7x2z by Molmil](/molmil-images/mine/7x2z) | NMR solution structure of the 1:1 complex of a pyridostatin derivative (PyPDS) bound to a G-quadruplex MYT1L | Descriptor: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide, G-quadruplex DNA MYT1L | Authors: | Liu, L.-Y, Mao, Z.-W, Liu, W. | Deposit date: | 2022-02-26 | Release date: | 2022-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of Pyridostatin and Its Derivatives Specifically Binding to G-Quadruplexes. J.Am.Chem.Soc., 144, 2022
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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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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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6K28
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![BU of 6k28 by Molmil](/molmil-images/mine/6k28) | Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia in complex with TZE | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-05-13 | Release date: | 2019-07-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 518, 2019
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6JYY
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![BU of 6jyy by Molmil](/molmil-images/mine/6jyy) | Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia | Descriptor: | Hydroxyethylthiazole kinase | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-04-29 | Release date: | 2019-06-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 518, 2019
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6K2L
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![BU of 6k2l by Molmil](/molmil-images/mine/6k2l) | Crystal structure of the Siderophore-interacting protein SipS from Aeromonas hydrophila | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Siderophore-interacting protein | Authors: | Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-05-14 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the Siderophore-interacting protein SIP from Aeromonas hydrophila. Biochem.Biophys.Res.Commun., 519, 2019
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6KZW
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![BU of 6kzw by Molmil](/molmil-images/mine/6kzw) | Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum | Descriptor: | PHOSPHATE ION, Pyridoxal phosphate homeostasis protein | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-09-25 | Release date: | 2019-10-16 | Last modified: | 2021-01-13 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum To Be Published
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6L3E
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![BU of 6l3e by Molmil](/molmil-images/mine/6l3e) | Crystal structure of Salmonella enterica sugar-binding protein MalE | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y. | Deposit date: | 2019-10-10 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of Salmonella enterica sugar-binding protein MalE To Be Published
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6L0Z
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![BU of 6l0z by Molmil](/molmil-images/mine/6l0z) | The crystal structure of Salmonella enterica sugar-binding protein MalE | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-anhydro-D-glucitol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y. | Deposit date: | 2019-09-27 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of Salmonella enterica sugar-binding protein MalE To Be Published
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6L19
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![BU of 6l19 by Molmil](/molmil-images/mine/6l19) | The crystal structure of competence or damage-inducible protein from Enterobacter asburiae | Descriptor: | CHLORIDE ION, GLYCEROL, PncC family amidohydrolase, ... | Authors: | Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y. | Deposit date: | 2019-09-28 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The crystal structure of Competence or damage-inducible protein from Enterobacter asburiae To Be Published
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6L1K
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![BU of 6l1k by Molmil](/molmil-images/mine/6l1k) | Crystal structure of NADH-dependent butanol dehydrogenase A from Fusobacterium nucleatum | Descriptor: | NADH-dependent butanol dehydrogenase A, PHOSPHATE ION | Authors: | Lan, J, Shang, F, Liu, W, Xu, Y, Chen, Y. | Deposit date: | 2019-09-29 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of NADH-dependent butanol dehydrogenase A from Fusobacterium nucleatum To Be Published
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6ME7
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![BU of 6me7 by Molmil](/molmil-images/mine/6me7) | XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ... | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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6ME6
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![BU of 6me6 by Molmil](/molmil-images/mine/6me6) | XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ... | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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