7C00
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![BU of 7c00 by Molmil](/molmil-images/mine/7c00) | Crystal structure of the SRCR domain of human SCARA5. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5 | Authors: | Yu, B, He, Y. | Deposit date: | 2020-04-29 | Release date: | 2020-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of ferritin with scavenger receptor class A members. J.Biol.Chem., 295, 2020
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8PGM
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![BU of 8pgm by Molmil](/molmil-images/mine/8pgm) | Crystal structure of the metallo-beta-lactamase VIM1 with 3062 | Descriptor: | 3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3062 To Be Published
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8PGI
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![BU of 8pgi by Molmil](/molmil-images/mine/8pgi) | Crystal structure of the metallo-beta-lactamase VIM1 with 2984 | Descriptor: | 7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2984 To Be Published
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8PGY
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![BU of 8pgy by Molmil](/molmil-images/mine/8pgy) | Crystal structure of the metallo-beta-lactamase VIM1 with 3462 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-methoxy-5-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3462 To Be Published
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8PGZ
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![BU of 8pgz by Molmil](/molmil-images/mine/8pgz) | Crystal structure of the metallo-beta-lactamase VIM1 with 3528 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridazin-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3528 To Be Published
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6PO0
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![BU of 6po0 by Molmil](/molmil-images/mine/6po0) | |
8PKB
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![BU of 8pkb by Molmil](/molmil-images/mine/8pkb) | |
8PNI
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![BU of 8pni by Molmil](/molmil-images/mine/8pni) | Chorismate mutase | Descriptor: | CITRIC ACID, Monofunctional chorismate mutase | Authors: | Khatanbaatar, T, Cordara, G, Krengel, U. | Deposit date: | 2023-06-30 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural analysis of chorismate mutase and cyclohexadienyl dehydratase from Pseudomonas aeruginosa To Be Published
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8PGF
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![BU of 8pgf by Molmil](/molmil-images/mine/8pgf) | Crystal structure of the metallo-beta-lactamase VIM1 with 2941 | Descriptor: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2941 To Be Published
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8PGL
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![BU of 8pgl by Molmil](/molmil-images/mine/8pgl) | Crystal structure of the metallo-beta-lactamase VIM1 with 3027 | Descriptor: | 7-[(1~{S})-1-[5-(carbamimidamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3027 To Be Published
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8Q2B
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![BU of 8q2b by Molmil](/molmil-images/mine/8q2b) | E. coli Adenylate Kinase variant D158A (AK D158A) showing significant changes to the stacking of catalytic arginine side chains | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | Authors: | Sauer, U.H, Wolf-Watz, M, Nam, K. | Deposit date: | 2023-08-01 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release. J.Chem.Inf.Model., 64, 2024
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8PIW
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![BU of 8piw by Molmil](/molmil-images/mine/8piw) | Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-NMet2 | Descriptor: | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ... | Authors: | Alsalman, Z, Girard, E. | Deposit date: | 2023-06-22 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network. Chemistry, 30, 2024
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8PXD
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![BU of 8pxd by Molmil](/molmil-images/mine/8pxd) | |
8PXZ
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![BU of 8pxz by Molmil](/molmil-images/mine/8pxz) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with natural substrate | Descriptor: | (2~{R})-2-[[(2~{S},6~{R})-6,7-bis(azanyl)-2-[[(4~{R})-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-heptanoyl]amino]propanoic acid, (2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide, 1,2-ETHANEDIOL, ... | Authors: | de Munnik, M, Schofield, C.J. | Deposit date: | 2023-07-24 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with natural substrate To Be Published
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8Q0Y
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![BU of 8q0y by Molmil](/molmil-images/mine/8q0y) | Endothiapepsin in complex with ligand (3R,5R)-5-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-085.1) | Descriptor: | (3~{R},5~{R})-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q1C
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![BU of 8q1c by Molmil](/molmil-images/mine/8q1c) | Substrate-free D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-phosphoglucomutase, ... | Authors: | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | Deposit date: | 2023-07-31 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase. Commun Biol, 7, 2024
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8R3P
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![BU of 8r3p by Molmil](/molmil-images/mine/8r3p) | Transketolase from Enterococcus faecium in complex with thiamin pyrophosphate | Descriptor: | MAGNESIUM ION, THIAMINE DIPHOSPHATE, Transketolase | Authors: | Ballut, L, Georges, R.N, Aghajari, N, Hecquet, L, Charmantray, F, Doumeche, B. | Deposit date: | 2023-11-10 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Are Transketolases relevant Targets fighting Human Pathogens? A comparative Biochemical, Bioinformatic and Structural Study To Be Published
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8R3Q
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![BU of 8r3q by Molmil](/molmil-images/mine/8r3q) | Transketolase from Plasmodium falciparum in complex with thiamin pyrophosphate | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, MAGNESIUM ION, ... | Authors: | Ballut, L, Georges, R.N, Aghajari, N, Hecquet, L, Charmantray, F, Doumeche, B. | Deposit date: | 2023-11-10 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Are Transketolases relevant Targets fighting Human Pathogens? A comparative Biochemical, Bioinformatic and Structural Study To Be Published
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8QQG
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![BU of 8qqg by Molmil](/molmil-images/mine/8qqg) | Structure of BRAF in Complex With Exarafenib (KIN-2787). | Descriptor: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Schmitt, A, Costanzi, E, Kania, R, Chen, Y.K. | Deposit date: | 2023-10-04 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.979 Å) | Cite: | Structure of BRAF in Complex With Exarafenib (KIN-2787). To Be Published
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8QI7
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![BU of 8qi7 by Molmil](/molmil-images/mine/8qi7) | |
8QCP
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![BU of 8qcp by Molmil](/molmil-images/mine/8qcp) | |
7QVL
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![BU of 7qvl by Molmil](/molmil-images/mine/7qvl) | OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 | Descriptor: | (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2022-01-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists. J.Med.Chem., 66, 2023
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8QCR
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![BU of 8qcr by Molmil](/molmil-images/mine/8qcr) | |
8QJJ
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![BU of 8qjj by Molmil](/molmil-images/mine/8qjj) | CTE type II (tau intermediate amyloid) | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | Authors: | Lovestam, S, Scheres, S.H.W. | Deposit date: | 2023-09-13 | Release date: | 2023-10-18 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Disease-specific tau filaments assemble via polymorphic intermediates. Nature, 625, 2024
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8QEL
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![BU of 8qel by Molmil](/molmil-images/mine/8qel) | PKR kinase domain- eIF2alpha in complex with compound | Descriptor: | (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide, Eukaryotic translation initiation factor 2 subunit alpha, Interferon-induced, ... | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | Deposit date: | 2023-08-31 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | PKR kinase domain- eIF2alpha in complex with compound To Be Published
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