6SJ9
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![BU of 6sj9 by Molmil](/molmil-images/mine/6sj9) | Proteasome accessory factor B/C (PafBC) of Arthrobacter aurescens | Descriptor: | DI(HYDROXYETHYL)ETHER, POTASSIUM ION, Proteasome accessory factor B/C (PafBC), ... | Authors: | Mueller, A.U, Leibundgut, M, Ban, N, Weber-Ban, E. | Deposit date: | 2019-08-13 | Release date: | 2019-10-16 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and functional implications of WYL domain-containing bacterial DNA damage response regulator PafBC. Nat Commun, 10, 2019
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8STH
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![BU of 8sth by Molmil](/molmil-images/mine/8sth) | human STING with diABZI agonist 15 | Descriptor: | 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein | Authors: | Duvall, J.R, Bukhalid, R.A. | Deposit date: | 2023-05-10 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. J.Med.Chem., 66, 2023
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6SEI
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![BU of 6sei by Molmil](/molmil-images/mine/6sei) | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease | Descriptor: | CALCIUM ION, DNA (32-MER), Structure-specific endonuclease subunit SLX1, ... | Authors: | Gaur, V, Zajko, W, Nirwal, S, Szlachcic, A, Gapinska, M, Nowotny, M. | Deposit date: | 2019-07-30 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease. Nucleic Acids Res., 47, 2019
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8EDM
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5KVQ
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![BU of 5kvq by Molmil](/molmil-images/mine/5kvq) | |
6GMP
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![BU of 6gmp by Molmil](/molmil-images/mine/6gmp) | CRYSTAL STRUCTURE OF THE PPIASE DOMAIN OF TBPAR42 | Descriptor: | PARVULIN 42 | Authors: | Hoenig, D, Rute, A, Hofmann, E, Bayer, P, Gasper, R. | Deposit date: | 2018-05-28 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural Analysis of the 42 kDa Parvulin ofTrypanosoma brucei. Biomolecules, 9, 2019
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6GMY
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![BU of 6gmy by Molmil](/molmil-images/mine/6gmy) | Tc-DNA/RNA duplex | Descriptor: | RNA (5'-R(*GP*UP*AP*AP*GP*CP*CP*GP*AP*G)-3'), Tc-DNA (5'-(*(TCJ)P*(TTK)P*(TCJ)P*(TCS)P*(TCS)P*(TCJ)P*(TTK)P*(TTK)P*(TCY)P*(TCJ))-3') | Authors: | Istrate, A, Johannsen, S, Istrate, A, Sigel, R.K.O, Leumann, C. | Deposit date: | 2018-05-28 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR solution structure of tricyclo-DNA containing duplexes: insight into enhanced thermal stability and nuclease resistance. Nucleic Acids Res., 47, 2019
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4UF8
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![BU of 4uf8 by Molmil](/molmil-images/mine/4uf8) | Electron cryo-microscopy structure of PB1-p62 filaments | Descriptor: | SEQUESTOSOME-1 | Authors: | Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C. | Deposit date: | 2015-03-15 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10.9 Å) | Cite: | The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold. Cell Rep., 11, 2015
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7V9K
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![BU of 7v9k by Molmil](/molmil-images/mine/7v9k) | Telomeric tetranucleosome | Descriptor: | DNA (539-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Soman, A. | Deposit date: | 2021-08-25 | Release date: | 2022-07-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (8.1 Å) | Cite: | Columnar structure of human telomeric chromatin. Nature, 609, 2022
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6GA4
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![BU of 6ga4 by Molmil](/molmil-images/mine/6ga4) | Bacteriorhodopsin, 1 ps state, real-space refined against 15% extrapolated map | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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8TBX
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![BU of 8tbx by Molmil](/molmil-images/mine/8tbx) | Crystal structure of human DDX1 helicase in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX1, MAGNESIUM ION, ... | Authors: | Zeng, H, Dong, A, Li, Y, Yen, H, Hejazi, Z, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2023-06-29 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal structure of human DDX1 helicase in complex with ADP To be published
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6SL8
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![BU of 6sl8 by Molmil](/molmil-images/mine/6sl8) | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its substrate L-2,4-diaminobutyric acid (DAB) | Descriptor: | 2,4-DIAMINOBUTYRIC ACID, GLYCEROL, L-2,4-diaminobutyric acid acetyltransferase, ... | Authors: | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | Deposit date: | 2019-08-19 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine. J.Biol.Chem., 295, 2020
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6GAD
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![BU of 6gad by Molmil](/molmil-images/mine/6gad) | BACTERIORHODOPSIN, 530 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6C2R
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![BU of 6c2r by Molmil](/molmil-images/mine/6c2r) | Aurora A ligand complex | Descriptor: | (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION | Authors: | Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. | Deposit date: | 2018-01-08 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene. Cancer Discov, 9, 2019
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8JDW
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8BZ3
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![BU of 8bz3 by Molmil](/molmil-images/mine/8bz3) | Structure od the carbohydrate reconition domain of Gal3 in comples with SAF-2-010 | Descriptor: | Galectin-3, [(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2022-12-14 | Release date: | 2023-03-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Selectively Modified Lactose and N -Acetyllactosamine Analogs at Three Key Positions to Afford Effective Galectin-3 Ligands. Int J Mol Sci, 24, 2023
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6GNU
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![BU of 6gnu by Molmil](/molmil-images/mine/6gnu) | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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4UAK
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![BU of 4uak by Molmil](/molmil-images/mine/4uak) | MRCK beta in complex with ADP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2014-08-10 | Release date: | 2014-10-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A novel small-molecule MRCK inhibitor blocks cancer cell invasion. Cell Commun. Signal, 12, 2014
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6SLF
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8STI
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![BU of 8sti by Molmil](/molmil-images/mine/8sti) | human STING with agonist XMT-1616 | Descriptor: | 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein | Authors: | Duvall, J.R, Bukhalid, R.A. | Deposit date: | 2023-05-10 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates. J.Med.Chem., 66, 2023
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5L2W
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![BU of 5l2w by Molmil](/molmil-images/mine/5l2w) | The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ... | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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8EZS
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![BU of 8ezs by Molmil](/molmil-images/mine/8ezs) | Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein | Descriptor: | CHLORIDE ION, HipS(Lp), HipT(Lp) | Authors: | Stogios, P.J, Skarina, T, Michalska, K, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-11-01 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein To Be Published
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8CCO
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6SI0
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![BU of 6si0 by Molmil](/molmil-images/mine/6si0) | p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323 | Descriptor: | 1,2-ETHANEDIOL, 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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6W59
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![BU of 6w59 by Molmil](/molmil-images/mine/6w59) | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC063) | Descriptor: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme | Authors: | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | Deposit date: | 2020-03-12 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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