6IVM
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![BU of 6ivm by Molmil](/molmil-images/mine/6ivm) | Crystal structure of a membrane protein P143A | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | Deposit date: | 2018-12-04 | Release date: | 2019-11-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations. Commun Biol, 2, 2019
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7R4O
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![BU of 7r4o by Molmil](/molmil-images/mine/7r4o) | Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one | Descriptor: | 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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8QLP
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![BU of 8qlp by Molmil](/molmil-images/mine/8qlp) | CryoEM structure of the RNA/DNA bound SPARTA (BabAgo/TIR-APAZ) tetrameric complex | Descriptor: | DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*AP*TP*TP*AP*GP*AP*GP*CP*CP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*AP*CP*GP*GP*CP*UP*CP*UP*AP*AP*UP*CP*UP*AP*UP*UP*AP*GP*U)-3'), ... | Authors: | Finocchio, G, Koopal, B, Potocnik, A, Heijstek, C, Jinek, M, Swarts, D. | Deposit date: | 2023-09-20 | Release date: | 2024-01-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Target DNA-dependent activation mechanism of the prokaryotic immune system SPARTA. Nucleic Acids Res., 52, 2024
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8JLC
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![BU of 8jlc by Molmil](/molmil-images/mine/8jlc) | Cryo-EM structure of SV2A in complex with BoNT/A2 Hc and levetiracetam | Descriptor: | (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide, 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: | Yamagata, A. | Deposit date: | 2023-06-02 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A. Nat Commun, 15, 2024
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5JRR
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![BU of 5jrr by Molmil](/molmil-images/mine/5jrr) | Crystal structure of native laccase from Thermus thermophilus HB27 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ... | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | Deposit date: | 2016-05-06 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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7R3C
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![BU of 7r3c by Molmil](/molmil-images/mine/7r3c) | VX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | Deposit date: | 2022-02-07 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.40000415 Å) | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase. Chemistry, 28, 2022
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7RDE
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![BU of 7rde by Molmil](/molmil-images/mine/7rde) | Human Triose Phosphate Isomerase Q181P | Descriptor: | BROMIDE ION, CALCIUM ION, Triosephosphate isomerase | Authors: | VanDemark, A.P, Kowalski, J. | Deposit date: | 2021-07-09 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Itavastatin and resveratrol increase triosephosphate isomerase protein in a newly identified variant of TPI deficiency. Dis Model Mech, 15, 2022
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4QT4
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![BU of 4qt4 by Molmil](/molmil-images/mine/4qt4) | Crystal structure of Peptidyl-tRNA hydrolase from a Gram-positive bacterium, Streptococcus pyogenes at 2.19 Angstrom resolution shows the Closed Structure of the Substrate Binding Cleft | Descriptor: | Peptidyl-tRNA hydrolase | Authors: | Singh, A, Gautam, L, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-07-07 | Release date: | 2014-08-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of peptidyl-tRNA hydrolase from a Gram-positive bacterium, Streptococcus pyogenes at 2.19 angstrom resolution shows the closed structure of the substrate-binding cleft. FEBS Open Bio, 4, 2014
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5XMP
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![BU of 5xmp by Molmil](/molmil-images/mine/5xmp) | Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057 | Descriptor: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | Deposit date: | 2017-05-16 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
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5JX9
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![BU of 5jx9 by Molmil](/molmil-images/mine/5jx9) | Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 5 min) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | Deposit date: | 2016-05-12 | Release date: | 2017-06-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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8B0T
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![BU of 8b0t by Molmil](/molmil-images/mine/8b0t) | SARS-CoV-2 Main Protease adduct with Au(PEt3)Br | Descriptor: | 3C-like proteinase nsp5, GOLD ION | Authors: | Massai, L, Grifagni, D, De Santis, A, Geri, A, Calderone, V, Cantini, F, Banci, L, Messori, L. | Deposit date: | 2022-09-08 | Release date: | 2022-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs. Biomolecules, 12, 2022
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5JXZ
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![BU of 5jxz by Molmil](/molmil-images/mine/5jxz) | A low magnesium structure of the isochorismate synthase, EntC | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, ... | Authors: | Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L. | Deposit date: | 2016-05-13 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | An Open and Shut Case: The Interaction of Magnesium with MST Enzymes. J.Am.Chem.Soc., 138, 2016
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4RFY
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![BU of 4rfy by Molmil](/molmil-images/mine/4rfy) | Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-3,4-dihydroisoquinolin-1-one | Descriptor: | 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2014-09-29 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold. Bioorg.Med.Chem.Lett., 25, 2015
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8JLF
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![BU of 8jlf by Molmil](/molmil-images/mine/8jlf) | Cryo-EM structure of SV2A in complex with BoNT/A2 Hc | 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, Botulinum neurotoxin, ... | Authors: | Yamagata, A. | Deposit date: | 2023-06-02 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A. Nat Commun, 15, 2024
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7RC9
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![BU of 7rc9 by Molmil](/molmil-images/mine/7rc9) | Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 21 | Descriptor: | 2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Critton, D.A. | Deposit date: | 2021-07-07 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Identification of 2-Pyridinylindole-Based Dual Antagonists of Toll-like Receptors 7 and 8 (TLR7/8). Acs Med.Chem.Lett., 13, 2022
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8JLE
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![BU of 8jle by Molmil](/molmil-images/mine/8jle) | |
4QPO
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![BU of 4qpo by Molmil](/molmil-images/mine/4qpo) | Mechanistic basis of plasmid-specific DNA binding of the F plasmid regulatory protein, TraM | Descriptor: | PHOSPHATE ION, Relaxosome protein TraM | Authors: | Peng, Y, Lu, J, Wong, J, Edwards, R.A, Frost, L.S, Glover, J.N.M. | Deposit date: | 2014-06-24 | Release date: | 2014-09-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Mechanistic Basis of Plasmid-Specific DNA Binding of the F Plasmid Regulatory Protein, TraM. J.Mol.Biol., 426, 2014
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4QPY
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![BU of 4qpy by Molmil](/molmil-images/mine/4qpy) | Crystal structure of C1QL2 | Descriptor: | Complement C1q-like protein 2 | Authors: | Ressl, S, Brunger, A.T. | Deposit date: | 2014-06-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.384 Å) | Cite: | Structures of C1q-like Proteins Reveal Unique Features among the C1q/TNF Superfamily. Structure, 23, 2015
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6OG8
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![BU of 6og8 by Molmil](/molmil-images/mine/6og8) | |
7R3P
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![BU of 7r3p by Molmil](/molmil-images/mine/7r3p) | |
7R4U
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![BU of 7r4u by Molmil](/molmil-images/mine/7r4u) | Apoform of FtrA/P19 from Rubrivivax gelatinosus | Descriptor: | FtrA-P19, GLYCEROL, SODIUM ION, ... | Authors: | Morera, S, Vigouroux, A, Plancqueel, S. | Deposit date: | 2022-02-09 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens. Febs J., 289, 2022
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6RVM
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![BU of 6rvm by Molmil](/molmil-images/mine/6rvm) | Cell division protein FtsZ from Staphylococcus aureus, apo form | Descriptor: | CHLORIDE ION, Cell division protein FtsZ, GLYCEROL, ... | Authors: | Fernandez-Tornero, C, Andreu, J.M, Canosa-Valls, A.J. | Deposit date: | 2019-05-31 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Nucleotide-induced folding of cell division protein FtsZ from Staphylococcus aureus. Febs J., 287, 2020
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7U37
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![BU of 7u37 by Molmil](/molmil-images/mine/7u37) | |
7R5E
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![BU of 7r5e by Molmil](/molmil-images/mine/7r5e) | |
6RW3
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![BU of 6rw3 by Molmil](/molmil-images/mine/6rw3) | The molecular basis for sugar import in malaria parasites. | Descriptor: | Hexose transporter 1, alpha-D-glucopyranose, beta-D-glucopyranose | Authors: | Qureshi, A, Matsuoka, R, Brock, J, Drew, D. | Deposit date: | 2019-06-03 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | The molecular basis for sugar import in malaria parasites. Nature, 578, 2020
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