5K4U
 
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei showing different active site loop conformations between dimer subunits, refined to 1.9 angstroms | | Descriptor: | ACETATE ION, GLYCEROL, L-threonine 3-dehydrogenase, ... | | Authors: | Adjogatse, E.K, Cooper, J.B, Erskine, P.T. | | Deposit date: | 2016-05-22 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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6ZLF
 | | Aerobic crystal structure of F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution under 125 bars of krypton | | Descriptor: | CHLORIDE ION, Coenzyme F420H2 oxidase (FprA), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S. | | Deposit date: | 2020-06-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Chem.Commun.(Camb.), 56, 2020
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7JTS
 | | Stalk of radial spoke 1 attached with doublet microtubule from Chlamydomonas reinhardtii | | Descriptor: | Calmodulin, Dynein 8 kDa light chain, flagellar outer arm, ... | | Authors: | Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A. | | Deposit date: | 2020-08-18 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structures of radial spokes and associated complexes important for ciliary motility.
Nat.Struct.Mol.Biol., 28, 2021
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6PS3
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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6Q4B
 | | CDK2 in complex with FragLite13 | | Descriptor: | 5-bromanylpyrimidine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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5NGS
 | | Crystal structure of human MTH1 in complex with inhibitor 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-amine | | Descriptor: | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | Deposit date: | 2017-03-20 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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6ZCV
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6PS6
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Timolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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8TUQ
 | | STL Polyomavirus LTA NLS bound to importin alpha 2 | | Descriptor: | Importin subunit alpha-1, Large T antigen | | Authors: | Donnelly, C.M, Cross, E.M, Forwood, J.K, Alvisi, G. | | Deposit date: | 2023-08-17 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals.
Protein Sci., 33, 2024
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8TUS
 | | WU Polyomavirus LTA NLS bound to importin alpha 2 | | Descriptor: | Importin subunit alpha-1, Large T antigen | | Authors: | Donnelly, C.M, Cross, E.M, Forwood, J.K, Alvisi, G. | | Deposit date: | 2023-08-17 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals.
Protein Sci., 33, 2024
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6ZHJ
 | | 3D electron diffraction structure of thermolysin from Bacillus thermoproteolyticus | | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | | Authors: | Blum, T, Housset, D, Clabbers, M.T.B, van Genderen, E, Schoehn, G, Ling, W.L, Abrahams, J.P. | | Deposit date: | 2020-06-23 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | ELECTRON CRYSTALLOGRAPHY (3.26 Å) | | Cite: | Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals.
Acta Crystallogr D Struct Biol, 77, 2021
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8U4F
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6CLU
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6Z84
 | | CK2 alpha bound to chemical probe SGC-CK2-1 derivative | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | | Authors: | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-02 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Development of a potent and selective chemical probe for the pleiotropic kinase CK2.
Cell Chem Biol, 28, 2021
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8U4A
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8U49
 | | The Apo Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Araujo, E.A, Polikarpov, I. | | Deposit date: | 2023-09-10 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9.
Carbohydr Polym, 329, 2024
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8UT1
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Burke, S.M, Hibbs, R.E, Noviello, C.M. | | Deposit date: | 2023-10-30 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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6ZK8
 | | Native crystal structure of anaerobic F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution | | Descriptor: | Coenzyme F420H2 oxidase (FprA), DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | | Authors: | Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S. | | Deposit date: | 2020-06-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Chem.Commun.(Camb.), 56, 2020
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8UTB
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and NS-1738 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-10-30 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8UZJ
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and ivermectin | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-11-15 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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3J9X
 | | A Virus that Infects a Hyperthermophile Encapsidates A-Form DNA | | Descriptor: | DNA, coat protein | | Authors: | DiMaio, F, Yu, X, Rensen, E, Krupovic, M, Prangishvili, D, Egelman, E. | | Deposit date: | 2015-03-21 | | Release date: | 2015-06-03 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A virus that infects a hyperthermophile encapsidates A-form DNA.
Science, 348, 2015
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7QPG
 | | Human RZZ kinetochore corona complex. | | Descriptor: | Centromere/kinetochore protein zw10 homolog, Kinetochore-associated protein 1, Protein zwilch homolog | | Authors: | Raisch, T, Ciossani, G, d'Amico, E, Cmetowski, V, Carmignani, S, Maffini, S, Merino, F, Wohlgemuth, S, Vetter, I.R, Raunser, S, Musacchio, A. | | Deposit date: | 2022-01-04 | | Release date: | 2022-03-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the RZZ complex and molecular basis of Spindly-driven corona assembly at human kinetochores.
Embo J., 41, 2022
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6FSZ
 | | Structure of the nuclear RNA exosome | | Descriptor: | ATP-dependent RNA helicase DOB1, Exosome complex component CSL4, Exosome complex component MTR3, ... | | Authors: | Schuller, J.M, Falk, S, Conti, E. | | Deposit date: | 2018-02-20 | | Release date: | 2018-03-21 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structure of the nuclear exosome captured on a maturing preribosome.
Science, 360, 2018
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6FUG
 | | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | | Descriptor: | 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6ZDV
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | Authors: | Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists.
Angew.Chem.Int.Ed.Engl., 59, 2020
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