4LOV
 
 | | Crystal structure of FimH in complex with Heptylmannoside | | Descriptor: | GLYCEROL, Protein FimH, SODIUM ION, ... | | Authors: | Garcia-Pino, A, Vanwetswinkel, S, van Nuland, N. | | Deposit date: | 2013-07-13 | | Release date: | 2014-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Study of the Structural and Dynamic Effects in the FimH Adhesin upon alpha-d-Heptyl Mannose Binding.
J.Med.Chem., 57, 2014
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7LST
 | | Ruminococcus bromii Amy12-D392A with 63-a-D-glucosyl-maltotriosyl-maltotriose | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Koropatkin, N.M, Cockburn, D.W, Brown, H.A, Kibler, R.D. | | Deposit date: | 2021-02-18 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases.
J.Struct.Biol., 213, 2021
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3SAL
 | | Crystal Structure of Influenza A Virus Neuraminidase N5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, M.Y, Qi, J.X, Liu, Y, Vavricka, C.J, Wu, Y, Li, Q, Gao, G.F. | | Deposit date: | 2011-06-03 | | Release date: | 2011-08-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Influenza a virus n5 neuraminidase has an extended 150-cavity
J.Virol., 85, 2011
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7LSU
 | | Ruminococcus bromii Amy12-D392A with 63-a-D-glucosyl-maltotriose | | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Koropatkin, N.M, Cockburn, D.W, Brown, H.A, Kibler, R.D. | | Deposit date: | 2021-02-18 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases.
J.Struct.Biol., 213, 2021
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7LUL
 | | Structure of the MM2 Erbin PDZ variant in complex with a high-affinity peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Singer, A.U, Teyra, J, McLaughlin, M, Ernst, A, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-02-22 | | Release date: | 2021-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Comprehensive Assessment of the Relationship Between Site -2 Specificity and Helix alpha 2 in the Erbin PDZ Domain.
J.Mol.Biol., 433, 2021
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7LZ2
 | | Structure of glutamate receptor-like channel GLR3.4 ligand-binding domain in complex with methionine | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Gangwar, S.P, Green, M.N, Sobolevsky, A.I. | | Deposit date: | 2021-03-08 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the Arabidopsis thaliana glutamate receptor-like channel GLR3.4.
Mol.Cell, 81, 2021
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6GN7
 | | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of sodium ions. | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Troisi, R, Russo Krauss, I, Sica, F. | | Deposit date: | 2018-05-30 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer.
Nucleic Acids Res., 46, 2018
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7LPA
 | | Cryo-EM structure of full-length TRPV1 with capsaicin at 4 degrees Celsius | | Descriptor: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, ... | | Authors: | Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y. | | Deposit date: | 2021-02-11 | | Release date: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
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4LC9
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7LU6
 | | Crystal structure of the mouse Kirrel3 D1 homodimer | | Descriptor: | Kin of IRRE-like protein 3, SODIUM ION | | Authors: | Roman, C.A, Pak, J.S, Wang, J, Ozkan, E. | | Deposit date: | 2021-02-21 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular and structural basis of olfactory sensory neuron axon coalescence by Kirrel receptors.
Cell Rep, 37, 2021
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7LTW
 | | Crystal structure of the mouse Kirrel2 D1 homodimer | | Descriptor: | Kin of IRRE-like protein 2, SODIUM ION | | Authors: | Roman, C.A, Pak, J.S, Wang, J, Ozkan, E. | | Deposit date: | 2021-02-20 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular and structural basis of olfactory sensory neuron axon coalescence by Kirrel receptors.
Cell Rep, 37, 2021
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7L8O
 | | OXA-48 bound by Compound 4.3 | | Descriptor: | 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2020-12-31 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
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7LA9
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7XCL
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7XEE
 | | Crystal Structure of the Y53F/N55A mutant of LEH complexed with 2-(3-phenyloxetan-3-yl)ethanamine | | Descriptor: | 1,2-ETHANEDIOL, 2-(3-phenyloxetan-3-yl)ethanamine, Limonene-1,2-epoxide hydrolase, ... | | Authors: | Qu, G, Li, X, Sun, Z.T. | | Deposit date: | 2022-03-31 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.877 Å) | | Cite: | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
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7XCM
 | | Crystal structure of sulfite MttB structure at 3.2 A resolution | | Descriptor: | 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, SODIUM ION, ... | | Authors: | Li, J, Chan, M.K. | | Deposit date: | 2022-03-24 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
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6FWQ
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | | Descriptor: | Glycosyl hydrolase family 71, SODIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-07 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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7LYI
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Wang, J, Chen, Y. | | Deposit date: | 2021-03-07 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
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7LCZ
 | | Crystal structure of the ARM domain from Drosophila SARM1 in complex with NMN | | Descriptor: | 1,2-ETHANEDIOL, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Isoform B of NAD(+) hydrolase sarm1, ... | | Authors: | Gu, W, Nanson, J.D, Luo, Z, Jia, X, Manik, M.K, Ve, T, Kobe, B. | | Deposit date: | 2021-01-12 | | Release date: | 2021-03-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
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7LHX
 | | Human U1A protein with F37M and F77M mutations for improved phasing | | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, SODIUM ION, ... | | Authors: | Jenkins, J.L, Lippa, G.M, Wedekind, J.E. | | Deposit date: | 2021-01-26 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Affinity and Structural Analysis of the U1A RNA Recognition Motif with Engineered Methionines to Improve Experimental Phasing
Crystals, 11, 2021
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7XEF
 | | Crystal Structure of the Y53F/N55A mutant of LEH complexed with (R)-(1-benzyl-3-phenylpyrrolidin-3-yl)methanol | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Limonene-1,2-epoxide hydrolase, ... | | Authors: | Qu, G, Li, X, Sun, Z.T. | | Deposit date: | 2022-03-31 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.816 Å) | | Cite: | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
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6GBW
 | | Thrombin in complex with MI2100 ((S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-L-arginyl)pyrrolidine-2-carboxamide) | | Descriptor: | (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Sandner, A, Heine, A, Klebe, G. | | Deposit date: | 2018-04-16 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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7M14
 | | x-ray structure of cj1430 in the presence of GDP, a GDP-D-glycero-4-keto-D-lyxo-heptose-3,5-epimerase from campylobacter jejuni | | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, SODIUM ION, ... | | Authors: | Girardi, N.M, Thoden, J.B, Raushel, F.M, Holden, H.M. | | Deposit date: | 2021-03-12 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biosynthesis of d- glycero -l- gluco -Heptose in the Capsular Polysaccharides of Campylobacter jejuni .
Biochemistry, 60, 2021
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7LSF
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4NGT
 | | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Tykvart, J, Pachl, P. | | Deposit date: | 2013-11-02 | | Release date: | 2014-06-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
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