8K55
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3RGO
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![BU of 3rgo by Molmil](/molmil-images/mine/3rgo) | Crystal Structure of PTPMT1 | Descriptor: | Protein-tyrosine phosphatase mitochondrial 1, SULFATE ION | Authors: | Xiao, J, Engel, J.L. | Deposit date: | 2011-04-08 | Release date: | 2011-07-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.928 Å) | Cite: | Structural and functional analysis of PTPMT1, a phosphatase required for cardiolipin synthesis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3FD5
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8K57
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4Q1C
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![BU of 4q1c by Molmil](/molmil-images/mine/4q1c) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol} | Descriptor: | 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol), Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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4Q1F
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![BU of 4q1f by Molmil](/molmil-images/mine/4q1f) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide} | Descriptor: | Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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6IQD
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![BU of 6iqd by Molmil](/molmil-images/mine/6iqd) | Crystal structure of Alcohol dehydrogenase from Geobacillus stearothermophilus | Descriptor: | Alcohol dehydrogenase, ZINC ION | Authors: | Xue, S, Feng, Y, Guo, X, Zhao, Z. | Deposit date: | 2018-11-07 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Characterization of the substrate scope of an alcohol dehydrogenase commonly used as methanol dehydrogenase. Bioorg.Med.Chem.Lett., 29, 2019
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7WIN
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5XYB
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5Y24
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![BU of 5y24 by Molmil](/molmil-images/mine/5y24) | Crystal structure of AimR from Bacillus phage SPbeta in complex with its signalling peptide | Descriptor: | AimR transcriptional regulator, BROMIDE ION, GLY-MET-PRO-ARG-GLY-ALA | Authors: | Wang, Q, Guan, Z.Y, Zou, T.T, Yin, P. | Deposit date: | 2017-07-24 | Release date: | 2018-09-19 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | Structural basis of the arbitrium peptide-AimR communication system in the phage lysis-lysogeny decision. Nat Microbiol, 3, 2018
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3FD6
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5Y9V
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![BU of 5y9v by Molmil](/molmil-images/mine/5y9v) | Crystal structure of diamondback moth ryanodine receptor N-terminal domain | Descriptor: | CHLORIDE ION, GLYCEROL, Ryanodine receptor 1 | Authors: | Lin, L, Yuchi, Z. | Deposit date: | 2017-08-28 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.841 Å) | Cite: | Crystal structure of ryanodine receptor N-terminal domain from Plutella xylostella reveals two potential species-specific insecticide-targeting sites. Insect Biochem. Mol. Biol., 92, 2017
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7W26
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![BU of 7w26 by Molmil](/molmil-images/mine/7w26) | monolignol ferulate transferase | Descriptor: | Ferulate monolignol transferase | Authors: | Xi, L, Shuliu, D, Yue, F, Yi, Z. | Deposit date: | 2021-11-22 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of the plant feruloyl-coenzyme A monolignol transferase provides insights into the formation of monolignol ferulate conjugates. Biochem.Biophys.Res.Commun., 594, 2022
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6ER4
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![BU of 6er4 by Molmil](/molmil-images/mine/6er4) | Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,6 sialyllactose | Descriptor: | BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2017-10-16 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus. Nat Commun, 8, 2017
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4Q19
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![BU of 4q19 by Molmil](/molmil-images/mine/4q19) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5 {5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL} | Descriptor: | 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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3IMX
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![BU of 3imx by Molmil](/molmil-images/mine/3imx) | Crystal Structure of human glucokinase in complex with a synthetic activator | Descriptor: | (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ... | Authors: | Stams, T, Vash, B. | Deposit date: | 2009-08-11 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J.Med.Chem., 52, 2009
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6ER2
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5YOJ
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![BU of 5yoj by Molmil](/molmil-images/mine/5yoj) | Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657 | Descriptor: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, A17 HIV-1 protease, GLYCEROL | Authors: | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | Deposit date: | 2017-10-29 | Release date: | 2018-07-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
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7YM9
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7YME
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3QUZ
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![BU of 3quz by Molmil](/molmil-images/mine/3quz) | Structure of the mouse CD1d-NU-alpha-GalCer-iNKT TCR complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M. | Deposit date: | 2011-02-24 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis. Embo J., 30, 2011
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7JTP
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![BU of 7jtp by Molmil](/molmil-images/mine/7jtp) | Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | Descriptor: | Elongin-B, Elongin-C, GLYCEROL, ... | Authors: | Kottur, J, Jain, R, Aggarwal, A.K. | Deposit date: | 2020-08-18 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med, 13, 2021
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7JTO
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![BU of 7jto by Molmil](/molmil-images/mine/7jto) | Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ... | Authors: | Kottur, J, Jain, R, Aggarwal, A.K. | Deposit date: | 2020-08-18 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med, 13, 2021
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3QUY
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![BU of 3quy by Molmil](/molmil-images/mine/3quy) | Structure of the mouse CD1d-BnNH-GSL-1'-iNKT TCR complex | Descriptor: | (2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-N-(phenylmethyl)oxane-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M. | Deposit date: | 2011-02-24 | Release date: | 2011-06-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis. Embo J., 30, 2011
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3MEW
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![BU of 3mew by Molmil](/molmil-images/mine/3mew) | Crystal structure of Novel Tudor domain-containing protein SGF29 | Descriptor: | SAGA-associated factor 29 homolog | Authors: | Xu, C, Bian, C.B, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation. Embo J., 30, 2011
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