7TGM
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8B1V
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![BU of 8b1v by Molmil](/molmil-images/mine/8b1v) | Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga | Descriptor: | Dihydroprecondylocarpine acetate synthase 2, ZINC ION, precondylocarpine acetate | Authors: | Langley, C, Basquin, J, Caputi, L, O'Connor, S.E. | Deposit date: | 2022-09-12 | Release date: | 2022-10-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism. Angew.Chem.Int.Ed.Engl., 61, 2022
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6V0L
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![BU of 6v0l by Molmil](/molmil-images/mine/6v0l) | PDGFR-b Promoter Forms a G-Vacancy Quadruplex that Can be Complemented by dGMP: Molecular Structure and Recognition of Guanine Derivatives and Metabolites | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*(3D1)P*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3') | Authors: | Wang, K.B, Dickerhoff, J, Wu, G, Yang, D. | Deposit date: | 2019-11-18 | Release date: | 2020-03-11 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | PDGFR-beta Promoter Forms a Vacancy G-Quadruplex that Can Be Filled in by dGMP: Solution Structure and Molecular Recognition of Guanine Metabolites and Drugs. J.Am.Chem.Soc., 142, 2020
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8AHM
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![BU of 8ahm by Molmil](/molmil-images/mine/8ahm) | Crystal structure of tubulin in complex with C(13)/C(13')-Bis-Desmethyl-Disorazole Z | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Oliva, M.A, Diaz, J.F, Altmann, K.H. | Deposit date: | 2022-07-22 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Synthesis and Biological Evaluation of C(13)/C(13')-Bis(desmethyl)disorazole Z. Angew.Chem.Int.Ed.Engl., 62, 2023
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3EW1
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![BU of 3ew1 by Molmil](/molmil-images/mine/3ew1) | Crystal structure of rhizavidin | Descriptor: | rhizavidin | Authors: | Livnah, O, Meir, A. | Deposit date: | 2008-10-14 | Release date: | 2008-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of rhizavidin: insights into the enigmatic high-affinity interaction of an innate biotin-binding protein dimer. J.Mol.Biol., 386, 2009
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8JFK
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![BU of 8jfk by Molmil](/molmil-images/mine/8jfk) | PhK holoenzyme in inactive state, muscle isoform | Descriptor: | Calmodulin-1, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ... | Authors: | Yang, X.K, Xiao, J.Y. | Deposit date: | 2023-05-18 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Architecture and activation of human muscle phosphorylase kinase. Nat Commun, 15, 2024
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8J6H
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6F64
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![BU of 6f64 by Molmil](/molmil-images/mine/6f64) | Crystal structure of the SYCP1 C-terminal back-to-back assembly | Descriptor: | ACETATE ION, Synaptonemal complex protein 1 | Authors: | Dunce, J.M, Millan, C, Uson, I, Davies, O.R. | Deposit date: | 2017-12-04 | Release date: | 2018-06-06 | Last modified: | 2020-04-22 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly. Nat. Struct. Mol. Biol., 25, 2018
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8D1W
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![BU of 8d1w by Molmil](/molmil-images/mine/8d1w) | Crystal structure of Plasmodium falciparum GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | Descriptor: | 8-{[(2-chlorophenyl)methyl]amino}adenosine, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W, Smil, D, Zepeda, C.A.V. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting Plasmodium falciparum GRP78: nucleoside analogues as agents against the malaria chaperone Frontiers in Molecular Bioscience, 2022
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8GRJ
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![BU of 8grj by Molmil](/molmil-images/mine/8grj) | Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone | Descriptor: | D-glucono-1,5-lactone, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Yoshida, H, Kojima, K, Tsugawa, W, Okuda-Shimazaki, J, Kerrigan, J.A, Sode, K. | Deposit date: | 2022-09-01 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone To Be Published
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6N65
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![BU of 6n65 by Molmil](/molmil-images/mine/6n65) | KRAS G-quadruplex G16T mutant. | Descriptor: | KRAS G-quadruplex G16T mutant, POTASSIUM ION | Authors: | Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S. | Deposit date: | 2018-11-25 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition. Nucleic Acids Res., 48, 2020
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6FK3
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![BU of 6fk3 by Molmil](/molmil-images/mine/6fk3) | Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant full-length protein in complex with propanal) | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | Deposit date: | 2018-01-23 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension. Sci Rep, 8, 2018
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8DL2
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![BU of 8dl2 by Molmil](/molmil-images/mine/8dl2) | BoGH13ASus from Bacteroides ovatus bound to acarbose | Descriptor: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Brown, H.A, DeVeaux, A.L, Koropatkin, N.M. | Deposit date: | 2022-07-06 | Release date: | 2023-05-24 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut. Cell.Mol.Life Sci., 80, 2023
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1FLO
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![BU of 1flo by Molmil](/molmil-images/mine/1flo) | FLP Recombinase-Holliday Junction Complex I | Descriptor: | FLP RECOMBINASE, PHOSPHONIC ACID, SYMMETRIZED FRT DNA SITES | Authors: | Chen, Y, Narendra, U, Iype, L.E, Cox, M.M, Rice, P.A. | Deposit date: | 2000-08-14 | Release date: | 2000-09-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of a Flp recombinase-Holliday junction complex: assembly of an active oligomer by helix swapping. Mol.Cell, 6, 2000
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6YHD
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![BU of 6yhd by Molmil](/molmil-images/mine/6yhd) | tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-4-(2-((2R,3S,4R,5R)-3,4-dihydroxy-5-methoxytetrahydrofuran-2-yl)ethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2020-03-28 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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5MTK
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![BU of 5mtk by Molmil](/molmil-images/mine/5mtk) | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2017-01-09 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Playing against the odds: scaffold hopping from 3D-fragments To Be Published
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6YQ1
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![BU of 6yq1 by Molmil](/molmil-images/mine/6yq1) | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide | Descriptor: | Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ... | Authors: | Musil, D, Heinrich, T, Amaral, M. | Deposit date: | 2020-04-16 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2. Cell Chem Biol, 28, 2021
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7ERH
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![BU of 7erh by Molmil](/molmil-images/mine/7erh) | Crystal structure of WT-TTR in complex with bithionol | Descriptor: | 2,2'-sulfanediylbis(4,6-dichlorophenol), CALCIUM ION, Transthyretin | Authors: | Yokoyama, T, Kashihara, M, Mizuguchi, M. | Deposit date: | 2021-05-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors. J.Med.Chem., 64, 2021
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6VGG
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![BU of 6vgg by Molmil](/molmil-images/mine/6vgg) | Crystal structure of the DNA binding domains of human transcription factor ERG, human Runx2 bound to core binding factor beta (Cbfb), and mithramycin, in complex with 16mer DNA CAGAGGATGTGGCTTC | Descriptor: | Core-binding factor subunit beta, DNA (5'-D(P*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*TP*G)-3'), ... | Authors: | Hou, C, Rohr, J, Tsodikov, O.V. | Deposit date: | 2020-01-08 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.31 Å) | Cite: | Allosteric interference in oncogenic FLI1 and ERG transactions by mithramycins. Structure, 29, 2021
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7ERK
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![BU of 7erk by Molmil](/molmil-images/mine/7erk) | Crystal structure of V30M-TTR in complex with dasatinib | Descriptor: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Transthyretin | Authors: | Yokoyama, T, Kashihara, M, Mizuguchi, M. | Deposit date: | 2021-05-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors. J.Med.Chem., 64, 2021
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7ERJ
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7ERI
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4E1Y
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![BU of 4e1y by Molmil](/molmil-images/mine/4e1y) | Alginate lyase A1-III H192A apo form | Descriptor: | Alginate lyase | Authors: | Mikami, B, Ban, M, Suzuki, S, Yoon, H.-J, Miyake, O, Yamasaki, M, Ogura, K, Maruyama, Y, Hashimoto, W, Murata, K. | Deposit date: | 2012-03-07 | Release date: | 2012-04-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Induced-fit motion of a lid loop involved in catalysis in alginate lyase A1-III Acta Crystallogr.,Sect.D, 68, 2012
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8AYA
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![BU of 8aya by Molmil](/molmil-images/mine/8aya) | |
8JAZ
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![BU of 8jaz by Molmil](/molmil-images/mine/8jaz) | Structure of the alginate epimerase/lyase complexed with di-mannuronic acid | Descriptor: | CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, mannuronan 5-epimerase | Authors: | Fujiwara, T. | Deposit date: | 2023-05-07 | Release date: | 2024-05-08 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum. Febs Lett., 598, 2024
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