1K4J
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![BU of 1k4j by Molmil](/molmil-images/mine/1k4j) | Crystal Structure of the Acyl-homoserinelactone Synthase EsaI Complexed with Rhenate | 分子名称: | PERRHENATE, acyl-homoserinelactone synthase EsaI | 著者 | Watson, W.T, Minogue, T.D, Val, D.L, Beck von Bodman, S, Churchill, M.E.A. | 登録日 | 2001-10-08 | 公開日 | 2002-04-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis and specificity of acyl-homoserine lactone signal production in bacterial quorum sensing. Mol.Cell, 9, 2002
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7LEB
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![BU of 7leb by Molmil](/molmil-images/mine/7leb) | HIV-1 Protease WT (NL4-3) in Complex with PU2 (LR2-79) | 分子名称: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2021-01-14 | 公開日 | 2022-01-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LEH
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![BU of 7leh by Molmil](/molmil-images/mine/7leh) | HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80) | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2021-01-14 | 公開日 | 2022-01-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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8V7U
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![BU of 8v7u by Molmil](/molmil-images/mine/8v7u) | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 | 分子名称: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ... | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-12-04 | 公開日 | 2023-12-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 To Be Published
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5O7Y
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![BU of 5o7y by Molmil](/molmil-images/mine/5o7y) | Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with succinate | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ... | 著者 | Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T. | 登録日 | 2017-06-10 | 公開日 | 2018-02-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway. J. Struct. Biol., 202, 2018
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8USP
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8V4H
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![BU of 8v4h by Molmil](/molmil-images/mine/8v4h) | X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP-glucitol | 分子名称: | CHLORIDE ION, PHOSPHATE ION, Putative nucleotide sugar dehydratase, ... | 著者 | Thoden, J.B, Schumann, M.E, Holden, H.M, Raushel, F.M. | 登録日 | 2023-11-29 | 公開日 | 2023-12-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni. Biochemistry, 63, 2024
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6RYF
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![BU of 6ryf by Molmil](/molmil-images/mine/6ryf) | High-resolution crystal structure of ERAP1 in complex with 15mer phosphinic peptide | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Giastas, P, Stratikos, E. | 登録日 | 2019-06-10 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Mechanism for antigenic peptide selection by endoplasmic reticulum aminopeptidase 1. Proc.Natl.Acad.Sci.USA, 2019
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4AD2
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![BU of 4ad2 by Molmil](/molmil-images/mine/4ad2) | Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-isofagomine | 分子名称: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose | 著者 | Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J. | 登録日 | 2011-12-21 | 公開日 | 2012-02-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase. Proc.Natl.Acad.Sci.USA, 109, 2012
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3HXG
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![BU of 3hxg by Molmil](/molmil-images/mine/3hxg) | Crystal structure of Schistsome eIF4E complexed with m7GpppA and 4E-BP | 分子名称: | Eukaryotic Translation Initiation Factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE | 著者 | Liu, W, Zhao, R, Jones, D.N.M, Davis, R.E. | 登録日 | 2009-06-20 | 公開日 | 2009-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural insights into parasite EIF4E binding specificity for m7G and m2,2,7G mRNA cap. J.Biol.Chem., 284, 2009
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5M1D
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![BU of 5m1d by Molmil](/molmil-images/mine/5m1d) | Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | 著者 | Marshall, S.A, Leys, D. | 登録日 | 2016-10-07 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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8GII
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![BU of 8gii by Molmil](/molmil-images/mine/8gii) | TEM-1 Beta Lactamase Variant 80.a | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TEM-1 Variant 80.a | 著者 | Fram, B.F, Gauthier, N.P, Khan, A.R, Sander, C. | 登録日 | 2023-03-14 | 公開日 | 2024-04-17 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Simultaneous enhancement of multiple functional properties using evolution-informed protein design. Nat Commun, 15, 2024
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6S12
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![BU of 6s12 by Molmil](/molmil-images/mine/6s12) | Erythromycin Resistant Staphylococcus aureus 50S ribosome (delta R88 A89 uL22). | 分子名称: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | 著者 | Halfon, Y, Matozv, D, Eyal, Z, Bashan, A, Zimmerman, E, Kjeldgaard, J, Ingmer, H, Yonath, A. | 登録日 | 2019-06-18 | 公開日 | 2019-08-21 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Exit tunnel modulation as resistance mechanism of S. aureus erythromycin resistant mutant. Sci Rep, 9, 2019
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6S2A
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![BU of 6s2a by Molmil](/molmil-images/mine/6s2a) | PI PLC mutant H82A | 分子名称: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase | 著者 | Eisenreichova, A, Boura, E. | 登録日 | 2019-06-20 | 公開日 | 2019-07-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | PI PLC mutant H82A To Be Published
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2G45
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![BU of 2g45 by Molmil](/molmil-images/mine/2g45) | Co-crystal structure of znf ubp domain from the deubiquitinating enzyme isopeptidase T (isot) in complex with ubiquitin | 分子名称: | CHLORIDE ION, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 5, ... | 著者 | Reyes-Turcu, F.E, Horton, J.R, Mullally, J.E, Heroux, A, Cheng, X, Wilkinson, K.D. | 登録日 | 2006-02-21 | 公開日 | 2006-04-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | The Ubiquitin Binding Domain ZnF UBP Recognizes the C-Terminal Diglycine Motif of Unanchored Ubiquitin. Cell(Cambridge,Mass.), 124, 2006
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1PKD
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![BU of 1pkd by Molmil](/molmil-images/mine/1pkd) | |
2UYY
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![BU of 2uyy by Molmil](/molmil-images/mine/2uyy) | Structure of the cytokine-like nuclear factor n-pac | 分子名称: | N-PAC PROTEIN, POTASSIUM ION, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | 著者 | Tickle, J, Pilka, E.S, Bunkoczi, G, Berridge, G, Smee, C, Kavanagh, K.L, Hozjan, V, Niesen, F.H, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U. | 登録日 | 2007-04-20 | 公開日 | 2007-07-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Structure of the Cytokine-Like Nuclear Factor N-Pac To be Published
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6S32
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![BU of 6s32 by Molmil](/molmil-images/mine/6s32) | Crystal structure of ene-reductase CtOYE from Chroococcidiopsis thermalis. | 分子名称: | ACETATE ION, BENZAMIDINE, FLAVIN MONONUCLEOTIDE, ... | 著者 | Robescu, M.R, Niero, M, Hall, M, Bergantino, E, Cendron, L. | 登録日 | 2019-06-24 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE. Appl.Microbiol.Biotechnol., 104, 2020
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2OEO
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![BU of 2oeo by Molmil](/molmil-images/mine/2oeo) | |
6S6W
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![BU of 6s6w by Molmil](/molmil-images/mine/6s6w) | Crystal Structure of human ALDH1A3 in complex with 2,6-diphenylimidazo[1,2-a]pyridine (compound GA11) and NAD+ | 分子名称: | 2,6-diphenylimidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ... | 著者 | Gelardi, E.L.M, Quattrini, L, LaMotta, C, Ferraris, D.M, Garavaglia, S. | 登録日 | 2019-07-03 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Imidazo[1,2-a]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells. J.Med.Chem., 63, 2020
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5OCG
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![BU of 5ocg by Molmil](/molmil-images/mine/5ocg) | Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, GTPase KRas, ... | 著者 | Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H. | 登録日 | 2017-06-30 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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6S77
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![BU of 6s77 by Molmil](/molmil-images/mine/6s77) | Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183 | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid, Histone-arginine methyltransferase CARM1 | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | 登録日 | 2019-07-04 | 公開日 | 2020-03-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
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6O1H
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![BU of 6o1h by Molmil](/molmil-images/mine/6o1h) | Tryptophan synthase Q114A mutant in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site | 分子名称: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | 登録日 | 2019-02-19 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine (PLS) at the beta-site. To be Published
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6RGR
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![BU of 6rgr by Molmil](/molmil-images/mine/6rgr) | Photorhabdus asymbiotica lectin PHL in complex with L-rhamnose | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ... | 著者 | Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M. | 登録日 | 2019-04-17 | 公開日 | 2020-07-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system. Febs J., 288, 2021
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6Z4C
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![BU of 6z4c by Molmil](/molmil-images/mine/6z4c) | The structure of the N-terminal domain of RssB from E. coli | 分子名称: | Regulator of RpoS | 著者 | Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D. | 登録日 | 2020-05-25 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP. Biomolecules, 10, 2020
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