7WEF
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7WEB
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7WE9
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![BU of 7we9 by Molmil](/molmil-images/mine/7we9) | SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv289 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, X, Wang, L. | Deposit date: | 2021-12-23 | Release date: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants. Nature, 603, 2022
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7WLC
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7WED
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1SPB
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![BU of 1spb by Molmil](/molmil-images/mine/1spb) | SUBTILISIN BPN' PROSEGMENT (77 RESIDUES) COMPLEXED WITH A MUTANT SUBTILISIN BPN' (266 RESIDUES). CRYSTAL PH 4.6. CRYSTALLIZATION TEMPERATURE 20 C DIFFRACTION TEMPERATURE-160 C | Descriptor: | SODIUM ION, SUBTILISIN BPN', SUBTILISIN BPN' PROSEGMENT | Authors: | Gallagher, D.T, Gilliland, G.L, Wang, L, Bryan, P.N. | Deposit date: | 1995-06-21 | Release date: | 1995-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The prosegment-subtilisin BPN' complex: crystal structure of a specific 'foldase'. Structure, 3, 1995
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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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7MN2
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![BU of 7mn2 by Molmil](/molmil-images/mine/7mn2) | Rules for designing protein fold switches and their implications for the folding code | Descriptor: | Sb2 | Authors: | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design and characterization of a protein fold switching network. Nat Commun, 14, 2023
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7MP7
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![BU of 7mp7 by Molmil](/molmil-images/mine/7mp7) | Rules for designing protein fold switches and their implications for the folding code | Descriptor: | Sb3 | Authors: | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | Deposit date: | 2021-05-04 | Release date: | 2022-05-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design and characterization of a protein fold switching network. Nat Commun, 14, 2023
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7MN1
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![BU of 7mn1 by Molmil](/molmil-images/mine/7mn1) | Rules for designing protein fold switches and their implications for the folding code | Descriptor: | Sa1 | Authors: | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design and characterization of a protein fold switching network. Nat Commun, 14, 2023
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7MQ4
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![BU of 7mq4 by Molmil](/molmil-images/mine/7mq4) | Rules for designing protein fold switches and their implications for the folding code | Descriptor: | Sb1 | Authors: | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | Deposit date: | 2021-05-05 | Release date: | 2022-05-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design and characterization of a protein fold switching network. Nat Commun, 14, 2023
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4OYT
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![BU of 4oyt by Molmil](/molmil-images/mine/4oyt) | Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid | Descriptor: | (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | Deposit date: | 2014-02-13 | Release date: | 2014-12-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control. Acta Crystallogr.,Sect.D, 70, 2014
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4PFN
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![BU of 4pfn by Molmil](/molmil-images/mine/4pfn) | Crystal structure of Plasmodium vivax SHMT with L-serine Schiff base | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | Deposit date: | 2014-04-30 | Release date: | 2014-12-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control. Acta Crystallogr.,Sect.D, 70, 2014
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4PFF
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![BU of 4pff by Molmil](/molmil-images/mine/4pff) | Crystal structure of Plasmodium vivax SHMT with PLP Schiff base | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, putative | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | Deposit date: | 2014-04-29 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control. Acta Crystallogr.,Sect.D, 70, 2014
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4WIZ
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![BU of 4wiz by Molmil](/molmil-images/mine/4wiz) | Crystal structure of Grouper nervous necrosis virus-like particle at 3.6A | Descriptor: | CALCIUM ION, Coat protein | Authors: | Chen, N.C, Chen, C.J, Yoshimura, M, Guan, H.H, Chen, T.Y. | Deposit date: | 2014-09-28 | Release date: | 2015-10-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Crystal Structures of a Piscine Betanodavirus: Mechanisms of Capsid Assembly and Viral Infection Plos Pathog., 11, 2015
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3GYX
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![BU of 3gyx by Molmil](/molmil-images/mine/3gyx) | Crystal structure of adenylylsulfate reductase from Desulfovibrio gigas | Descriptor: | Adenylylsulfate Reductase, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER | Authors: | Chiang, Y.-L, Hsieh, Y.-C, Liu, E.-H, Liu, M.-Y, Chen, C.-J. | Deposit date: | 2009-04-06 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of Adenylylsulfate reductase from Desulfovibrio gigas suggests a potential self-regulation mechanism involving the C terminus of the beta-subunit J.Bacteriol., 191, 2009
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2JWS
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![BU of 2jws by Molmil](/molmil-images/mine/2jws) | Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function | Descriptor: | Ga88 | Authors: | He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J. | Deposit date: | 2007-10-24 | Release date: | 2008-09-09 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | NMR structures of two designed proteins with high sequence identity but different fold and function Proc.Natl.Acad.Sci.Usa, 105, 2008
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2JWU
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![BU of 2jwu by Molmil](/molmil-images/mine/2jwu) | Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function | Descriptor: | Gb88 | Authors: | He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J. | Deposit date: | 2007-10-25 | Release date: | 2008-09-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structures of two designed proteins with high sequence identity but different fold and function Proc.Natl.Acad.Sci.Usa, 105, 2008
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4LWO
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![BU of 4lwo by Molmil](/molmil-images/mine/4lwo) | Crystal structure of PRMT6 | Descriptor: | Arginine N-methyltransferase, putative | Authors: | Zhu, Y, Wang, C, Shi, Y, Teng, M. | Deposit date: | 2013-07-28 | Release date: | 2014-02-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei Plos One, 9, 2014
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3BH4
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![BU of 3bh4 by Molmil](/molmil-images/mine/3bh4) | High resolution crystal structure of Bacillus amyloliquefaciens alpha-amylase | Descriptor: | Alpha-amylase, CALCIUM ION, SODIUM ION | Authors: | Alikhajeh, J, Khajeh, K, Ranjbar, B, Naderi-Manesh, H, Lin, Y.H, Liu, M.Y, Chen, C.J. | Deposit date: | 2007-11-28 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of Bacillus amyloliquefaciens alpha-amylase at high resolution: implications for thermal stability. Acta Crystallogr.,Sect.F, 66, 2010
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4KW5
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![BU of 4kw5 by Molmil](/molmil-images/mine/4kw5) | M. tuberculosis DprE1 in complex with inhibitor TCA1 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ... | Authors: | Batt, S.M, Besra, G.S, Futterer, K. | Deposit date: | 2013-05-23 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Identification of a small molecule with activity against drug-resistant and persistent tuberculosis. Proc.Natl.Acad.Sci.USA, 110, 2013
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