6SF6
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5MMB
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![BU of 5mmb by Molmil](/molmil-images/mine/5mmb) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ434 (compound 6p) | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), GLYCEROL, ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2016-12-09 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors. J. Med. Chem., 60, 2017
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5MXO
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![BU of 5mxo by Molmil](/molmil-images/mine/5mxo) | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | Authors: | Andrei, S, Ottmann, C, Leysen, S. | Deposit date: | 2017-01-24 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
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5MN0
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![BU of 5mn0 by Molmil](/molmil-images/mine/5mn0) | ABA RECEPTOR FROM CITRUS, CSPYL1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CHLORIDE ION, CSPYL1, ... | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A. | Deposit date: | 2016-12-12 | Release date: | 2017-08-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor. Mol Plant, 10, 2017
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6SFC
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![BU of 6sfc by Molmil](/molmil-images/mine/6sfc) | EED in complex with a methyl-thiazole | Descriptor: | CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Read, J.A. | Deposit date: | 2019-08-01 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol., 14, 2019
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7ABW
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![BU of 7abw by Molmil](/molmil-images/mine/7abw) | Crystal structure of siderophore reductase FoxB | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DECYL-BETA-D-MALTOPYRANOSIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Josts, I, Tidow, H. | Deposit date: | 2020-09-09 | Release date: | 2021-09-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structural insights into a novel family of integral membrane siderophore reductases. Proc.Natl.Acad.Sci.USA, 118, 2021
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5MY5
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6SH0
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![BU of 6sh0 by Molmil](/molmil-images/mine/6sh0) | Crystal structure of AcAChBP in complex with anatoxin | Descriptor: | 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Hunter, W.N, Dawson, A, Parker, H. | Deposit date: | 2019-08-05 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A Acta Crystallogr.,Sect.F, 2022
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5MYD
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![BU of 5myd by Molmil](/molmil-images/mine/5myd) | Convergent evolution involving dimeric and trimeric dUTPases in signalling. | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION | Authors: | Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A. | Deposit date: | 2017-01-26 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization. PLoS Pathog., 13, 2017
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7AAW
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![BU of 7aaw by Molmil](/molmil-images/mine/7aaw) | Thioredoxin Reductase from Bacillus cereus | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Shoor, M, Gudim, I, Hersleth, H.-P, Hammerstad, M. | Deposit date: | 2020-09-04 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Thioredoxin reductase from Bacillus cereus exhibits distinct reduction and NADPH-binding properties. Febs Open Bio, 11, 2021
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7ACZ
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5MOE
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![BU of 5moe by Molmil](/molmil-images/mine/5moe) | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2016-12-14 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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7ACV
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7ACW
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6SAO
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![BU of 6sao by Molmil](/molmil-images/mine/6sao) | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-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)-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)-beta-D-glucopyranose, ... | Authors: | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-07-17 | Release date: | 2019-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance. Int J Mol Sci, 20, 2019
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7A9G
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![BU of 7a9g by Molmil](/molmil-images/mine/7a9g) | Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis with intermediate 2-acetyl-thiamine diphosphate | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase, 2-ACETYL-THIAMINE DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gierse, R.M, Reddem, E, Grooves, M.R. | Deposit date: | 2020-09-02 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | First crystal structures of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization. Sci Rep, 12, 2022
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5MQP
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![BU of 5mqp by Molmil](/molmil-images/mine/5mqp) | Glycoside hydrolase BT_1002 | Descriptor: | CALCIUM ION, Glycoside hydrolase BT_1002 | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2016-12-20 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The most complex carbohydrate known is degraded in the human gut by single organisms and not bacterial consortia To Be Published
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5MRB
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![BU of 5mrb by Molmil](/molmil-images/mine/5mrb) | Crystal structure of human Mps1 (TTK) in complex with Cpd-5 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity protein kinase TTK, ... | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-12-22 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures. J. Biol. Chem., 292, 2017
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5M7B
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5MRI
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![BU of 5mri by Molmil](/molmil-images/mine/5mri) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ... | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | Deposit date: | 2016-12-23 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin. Bioorg. Med. Chem. Lett., 27, 2017
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6ZRB
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6SEM
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![BU of 6sem by Molmil](/molmil-images/mine/6sem) | Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 2 | Descriptor: | Ancestral Flavin-containing monooxygenase (FMO) 2, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A. | Deposit date: | 2019-07-30 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs. Nat.Struct.Mol.Biol., 27, 2020
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5MSN
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![BU of 5msn by Molmil](/molmil-images/mine/5msn) | Structure of the Dcc1 Protein | Descriptor: | DCC1 protein | Authors: | Wade, B.O, Singleton, M.R. | Deposit date: | 2017-01-05 | Release date: | 2017-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Structural studies of RFC(C)(tf18) reveal a novel chromatin recruitment role for Dcc1. EMBO Rep., 18, 2017
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6SFJ
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![BU of 6sfj by Molmil](/molmil-images/mine/6sfj) | Crystal structure of p38 alpha in complex with compound 77 (MCP41) | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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6SG2
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![BU of 6sg2 by Molmil](/molmil-images/mine/6sg2) | FeFe Hydrogenase from Desulfovibrio desulfuricans in Hinact state | Descriptor: | HydB, IRON/SULFUR CLUSTER, Periplasmic [Fe] hydrogenase large subunit, ... | Authors: | Galle, L.M, Span, I. | Deposit date: | 2019-08-02 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Caught in the H inact : Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O 2 -stable State of [FeFe] Hydrogenase. Angew.Chem.Int.Ed.Engl., 59, 2020
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