6Z4V
 
 | | Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with NTS8-13 | | Descriptor: | ARG-PRO-TYR-ILE-LEU, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin | | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | | Deposit date: | 2020-05-25 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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8A39
 | | Crystal Structure of PaaX from Escherichia coli W | | Descriptor: | DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ... | | Authors: | Molina, R, Alba-Perez, A, Hermoso, J.A. | | Deposit date: | 2022-06-07 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins.
Int.J.Biol.Macromol., 254, 2024
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7NUW
 | | Crystal structure of the TIR domain of human TLR1 (crystallised with Zn2+ ions) | | Descriptor: | Toll-like receptor 1 | | Authors: | Vakhrameev, D.D, Luginina, A.P, Shevtsov, M.B, Lushpa, V.A, Mineev, K.S, Borshchevskiy, V.I. | | Deposit date: | 2021-03-15 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions.
Commun Biol, 4, 2021
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4TZP
 | | As Grown, Untreated Co-crystals of the Ternary Complex Containing a T-box Stem I RNA, its cognate tRNAGly, and B. subtilis YbxF protein | | Descriptor: | Ribosome-associated protein L7Ae-like, engineered tRNA, glyQ T-box Stem I | | Authors: | Zhang, J, Ferre-D'Amare, A.R. | | Deposit date: | 2014-07-10 | | Release date: | 2014-09-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (8.503 Å) | | Cite: | Dramatic Improvement of Crystals of Large RNAs by Cation Replacement and Dehydration.
Structure, 22, 2014
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6OPT
 | | HIV-1 Protease NL4-3 V82F, I84V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2019-04-25 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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6NET
 | | FAD-dependent monooxygenase TropB from T. stipitatus substrate complex | | Descriptor: | 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ... | | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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5JUP
 | | Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure II (mid-rotated 40S subunit) | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ... | | Authors: | Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-05-10 | | Release date: | 2016-10-05 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
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8C8K
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8A4X
 | | Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III | | Descriptor: | (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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8A4U
 | | Crystal structure of human cathepsin L with CAA0225 | | Descriptor: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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8C8L
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6OQS
 | | E. coli ATP synthase State 1b | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2019-04-29 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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7MEQ
 | | Crystal structure of human TMPRSS2 in complex with Nafamostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ... | | Authors: | Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-04-07 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.
Nat.Chem.Biol., 18, 2022
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6YYE
 | | TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2 | | Authors: | Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-05-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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5OCZ
 | | Free DNA_hairpin polyamides studies | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3') | | Authors: | Padroni, G, Parkinson, J, Burley, G.A. | | Deposit date: | 2017-07-04 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis of DNA duplex distortion induced by thiazole-containing hairpin polyamides.
Nucleic Acids Res., 46, 2018
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7M7A
 | | Legionella pneumophila MavQ lipid kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoinositide 3-kinase MavQ | | Authors: | Tomchick, D.R, Tagliabracci, V.S, Hsieh, T.S, Lopez, V.A. | | Deposit date: | 2021-03-27 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Dynamic remodeling of host membranes by self-organizing bacterial effectors.
Science, 372, 2021
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4TXL
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with uracil | | Descriptor: | SULFATE ION, URACIL, Uridine phosphorylase | | Authors: | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2014-07-03 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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5OE9
 | | Structure of large terminase from the thermophilic bacteriophage D6E in complex with sulfate (Crystal form 2) | | Descriptor: | Large subunit terminase, SULFATE ION | | Authors: | Xu, R.G, Jenkins, H.T, Greive, S.J, Antson, A.A. | | Deposit date: | 2017-07-07 | | Release date: | 2017-10-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis.
Nucleic Acids Res., 45, 2017
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6X24
 | | Structural basis of plant blue light photoreceptor | | Descriptor: | Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Palayam, M, Ganapathy, J, Guercio, M.A, Shabek, N. | | Deposit date: | 2020-05-19 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural insights into photoactivation of plant Cryptochrome-2.
Commun Biol, 4, 2021
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4U28
 | | Crystal structure of apo Phosphoribosyl isomerase A from Streptomyces sviceus ATCC 29083 | | Descriptor: | PHOSPHATE ION, Phosphoribosyl isomerase A | | Authors: | Chang, C, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-07-16 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
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5NUR
 | | Structural basis for maintenance of bacterial outer membrane lipid asymmetry | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(3-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ... | | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | | Deposit date: | 2017-05-01 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry.
Nat Microbiol, 2, 2017
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6WFI
 | | Methylmalonyl-CoA epimerase in complex with 2-nitronate-propionyl-CoA | | Descriptor: | CHLORIDE ION, COBALT (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
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6ZG3
 | | the structure of ECF PanT transporter in a complex with a nanobody | | Descriptor: | CA14381 nanobody, CITRIC ACID, Conserved hypothetical membrane protein, ... | | Authors: | Setyawati, I, Guskov, A, Slotboom, D.J. | | Deposit date: | 2020-06-18 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In vitro reconstitution of dynamically interacting integral membrane subunits of energy-coupling factor transporters.
Elife, 9, 2020
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6OQW
 | | E. coli ATP synthase State 3a | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2019-04-29 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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7M3Q
 | | Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ... | | Authors: | Chowdhury, A, Singer, A.U, Ogunjimi, A.A, Teyra, J, Zhang, W, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-03-18 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
To be published
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