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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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
| 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
| 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
| 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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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
| 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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6ME2
| XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, 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: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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6ME4
| XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, 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: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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6M9T
| Crystal structure of EP3 receptor bound to misoprostol-FA | Descriptor: | (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, ... | Authors: | Audet, M, White, K.L, Breton, B, Zarzycka, B, Han, G.W, Lu, Y, Gati, C, Batyuk, A, Popov, P, Velasquez, J, Manahan, D, Hu, H, Weierstall, U, Liu, W, Shui, W, Katrich, V, Cherezov, V, Hanson, M.A, Stevens, R.C. | Deposit date: | 2018-08-24 | Release date: | 2018-12-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor. Nat. Chem. Biol., 15, 2019
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6ME3
| XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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6ME5
| XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine | Descriptor: | OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, 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: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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8GZD
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7W1I
| Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X and C9C | Descriptor: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid, Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | Deposit date: | 2021-11-19 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization Acs Catalysis, 12, 2022
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7W1K
| Crystal structure of carboxylesterase from Thermobifida fusca | Descriptor: | Carboxylesterase | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | Deposit date: | 2021-11-19 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization Acs Catalysis, 12, 2022
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7W1J
| Crystal structure of carboxylesterase from Thermobifida fusca with J1K | Descriptor: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, Carboxylesterase | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | Deposit date: | 2021-11-19 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization Acs Catalysis, 12, 2022
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7W1L
| Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X | Descriptor: | Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | Deposit date: | 2021-11-19 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization Acs Catalysis, 12, 2022
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7XS0
| Trimer structure of HtrA from Helicobacter pylori bound with a tripeptide | Descriptor: | Periplasmic serine endoprotease DegP-like, UNK-UNK-UNK | Authors: | Cui, L, Liu, W. | Deposit date: | 2022-05-12 | Release date: | 2023-05-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements. Int.J.Biol.Macromol., 243, 2023
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7XS2
| Monomer structure of HtrA from Helicobacter pylori | Descriptor: | Periplasmic serine endoprotease DegP-like | Authors: | Cui, L, Liu, W. | Deposit date: | 2022-05-12 | Release date: | 2023-05-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements. Int.J.Biol.Macromol., 243, 2023
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7CUN
| The structure of human Integrator-PP2A complex | Descriptor: | Integrator complex subunit 1, Integrator complex subunit 11, Integrator complex subunit 2, ... | Authors: | Zheng, H, Qi, Y, Liu, W, Li, J, Wang, J, Xu, Y. | Deposit date: | 2020-08-23 | Release date: | 2020-11-25 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Identification of Integrator-PP2A complex (INTAC), an RNA polymerase II phosphatase. Science, 370, 2020
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7CX0
| Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor carbidopa | Descriptor: | CARBIDOPA, Decarboxylase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R. | Deposit date: | 2020-09-01 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor carbidopa to be published
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7CWX
| Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis | Descriptor: | DI(HYDROXYETHYL)ETHER, Decarboxylase, GLYCEROL | Authors: | Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R. | Deposit date: | 2020-09-01 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis to be published
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7CWY
| Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP | Descriptor: | Decarboxylase | Authors: | Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R. | Deposit date: | 2020-09-01 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP to be published
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7CX1
| Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine | Descriptor: | 4-[(2R)-2-(methylamino)propyl]phenol, Decarboxylase | Authors: | Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R. | Deposit date: | 2020-09-01 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine to be published
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