7QD1
| Structure of the orange carotenoid protein from Planktothrix agardhii binding echinenone in the P21 space group | Descriptor: | Orange carotenoid-binding protein, beta,beta-caroten-4-one | Authors: | Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P. | Deposit date: | 2021-11-26 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type. Biochim Biophys Acta Bioenerg, 1863, 2022
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7QD2
| Structure of the orange carotenoid protein from Planktothrix agardhii binding canthaxanthin in the P21 space group | Descriptor: | ACETATE ION, GLYCEROL, Orange carotenoid-binding protein, ... | Authors: | Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P. | Deposit date: | 2021-11-26 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type. Biochim Biophys Acta Bioenerg, 1863, 2022
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6T3O
| Crystal structure of the human myomesin domain 10 | Descriptor: | AZIDE ION, Myomesin-1 | Authors: | Duskova, J, Petrokova, H, Maly, P. | Deposit date: | 2019-10-11 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Myomedin scaffold variants targeted to 10E8 HIV-1 broadly neutralizing antibody mimic gp41 epitope and elicit HIV-1 virus-neutralizing sera in mice. Virulence, 12, 2021
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8QZW
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8BBW
| Crystal structure of medical leech destabilase (low salt) | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme | Authors: | Marin, E, Bukhdruker, S, Manuvera, V, Kornilov, D, Zinovev, E, Bobrovsky, P, Lazarev, V, Borshchevskiy, V. | Deposit date: | 2022-10-14 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for inhibition of thrombolytic destabilase
from medical leech by physiological sodium concentrations To Be Published
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6RZ6
| Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | Deposit date: | 2019-06-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
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471D
| CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3') | Authors: | Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M. | Deposit date: | 1999-04-29 | Release date: | 1999-05-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA. Nat.Struct.Biol., 6, 1999
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6NLN
| 1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16) | Descriptor: | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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469D
| CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3') | Authors: | Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M. | Deposit date: | 1999-04-29 | Release date: | 1999-05-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA. Nat.Struct.Biol., 6, 1999
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6NPS
| Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus | Descriptor: | AxyAgu115A, CHLORIDE ION, GLYCEROL | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Yan, R, Master, E, Savchenko, A. | Deposit date: | 2019-01-18 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural characterization of the family GH115 alpha-glucuronidase from Amphibacillus xylanus yields insight into its coordinated action with alpha-arabinofuranosidases. N Biotechnol, 2021
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1N5Y
| HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-07 | Release date: | 2003-01-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA Embo J., 21, 2002
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6TH4
| Tubulin-inhibitor complex | Descriptor: | 1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Varela, P.F, Gigant, B. | Deposit date: | 2019-11-18 | Release date: | 2021-12-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.121 Å) | Cite: | B-nor-methylene Colchicinoid PT-100 Selectively Induces Apoptosis in Multidrug-Resistant Human Cancer Cells via an Intrinsic Pathway in a Caspase-Independent Manner Acs Omega, 7, 2022
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8JUK
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4Y98
| Crystal structure of LigD-apo form from Sphingobium sp. strain SYK-6 | Descriptor: | C alpha-dehydrogenase | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.648 Å) | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
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7A91
| Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Non-Uniform Refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | Deposit date: | 2020-09-01 | Release date: | 2020-09-16 | Last modified: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion. Nature, 588, 2020
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6S0Q
| Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | Deposit date: | 2019-06-18 | Release date: | 2020-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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4YQL
| Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Madauss, K.P. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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7S4N
| Crystal structure of the tick evasin EVA-P974 complexed to human chemokine CCL17 | Descriptor: | C-C motif chemokine 17, Evasin P974 | Authors: | Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J. | Deposit date: | 2021-09-09 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases. Proc.Natl.Acad.Sci.USA, 119, 2022
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4YA6
| Crystal structure of LigO-apo form from Sphingobium sp. strain SYK-6 | Descriptor: | C alpha-dehydrogenase | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
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1N6Q
| HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-11 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA Embo J., 21, 2002
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5N2M
| Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-07 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue To Be Published
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3J9Q
| Atomic structures of a bactericidal contractile nanotube in its pre- and post-contraction states | Descriptor: | sheath, tube | Authors: | Ge, P, Scholl, D, Leiman, P.G, Yu, X, Miller, J.F, Zhou, Z.H. | Deposit date: | 2015-02-17 | Release date: | 2015-04-01 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Atomic structures of a bactericidal contractile nanotube in its pre- and postcontraction states. Nat.Struct.Mol.Biol., 22, 2015
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8IW2
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4Y9D
| Crystal structure of LigD in complex with NADH from Sphingobium sp. strain SYK-6 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C alpha-dehydrogenase | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.012 Å) | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
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5N66
| Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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