8DCV
 
 | | Lysozyme cluster 0043, NAG ligand | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | | Deposit date: | 2022-06-17 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Serial crystallography with multi-stage merging of thousands of images.
Acta Crystallogr.,Sect.F, 78, 2022
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8U4F
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8QY0
 | | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylotriose | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, ZINC ION, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 2024
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8QWG
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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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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8QVK
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | Bifunctional epoxide hydrolase 2, N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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8QY2
 | | Xylanase from Bacillus circulans mutant E78Q/F125A | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, GLYCEROL, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 2024
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8QY1
 | | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylohexaose | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 2024
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8BJL
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8QRP
 | | ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.1) | | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION | | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2023-10-09 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
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8QRR
 | | ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.3) | | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION | | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2023-10-09 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
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8QRW
 | | ASCT2 protomer in lipid nanodiscs under low Na+ concentration in the intermediate outward-facing state (iOFS-up) | | Descriptor: | Neutral amino acid transporter B(0), SODIUM ION | | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2023-10-09 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
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6S88
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-((1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)sulfonyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-08 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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8QVH
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Bifunctional epoxide hydrolase 2 | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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6VQD
 | | HLA-B*27:05 presenting an HIV-1 8mer peptide | | Descriptor: | 8-mer peptide, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | Deposit date: | 2020-02-05 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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5ZC9
 | | Crystal structure of the human eIF4A1-ATP analog-RocA-polypurine RNA complex | | Descriptor: | (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ... | | Authors: | Iwasaki, W, Takahashi, M, Sakamoto, A, Iwasaki, S, Ito, T. | | Deposit date: | 2018-02-16 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Translation Inhibitor Rocaglamide Targets a Bimolecular Cavity between eIF4A and Polypurine RNA.
Mol. Cell, 73, 2019
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8QRQ
 | | ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.2) | | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION | | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2023-10-09 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
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6RJA
 | | Cryo-EM structure of St1Cas9-sgRNA-tDNA20-AcrIIA6 dimeric assembly. | | Descriptor: | AcrIIA6, CRISPR-associated endonuclease Cas9 1, RNA (78-MER), ... | | Authors: | Goulet, A, Cambillau, C, Chaves-Sanjuan, A. | | Deposit date: | 2019-04-26 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cas9 Allosteric Inhibition by the Anti-CRISPR Protein AcrIIA6.
Mol.Cell, 76, 2019
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5TCU
 | | Methicillin sensitive Staphylococcus aureus 70S ribosome | | Descriptor: | 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ... | | Authors: | Eyal, Z, Ahmed, T, Belousoff, N, Mishra, S, Matzov, D, Bashan, A, Zimmerman, E, Lithgow, T, Bhushan, S, Yonath, A. | | Deposit date: | 2016-09-15 | | Release date: | 2017-05-24 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural Basis for Linezolid Binding Site Rearrangement in the Staphylococcus aureus Ribosome.
MBio, 8, 2017
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7NTJ
 | | PALS1 PDZ1 domain with SARS-CoV-1_E PBM complex | | Descriptor: | Envelope small membrane protein, MAGUK p55 subfamily member 5 | | Authors: | Javorsky, A, Kvansakul, M. | | Deposit date: | 2021-03-10 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain.
Commun Biol, 4, 2021
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6VQY
 | | HLA-B*27:05 presenting an HIV-1 7mer peptide | | Descriptor: | 7-mer peptide, ARGININE, Beta-2-microglobulin, ... | | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | Deposit date: | 2020-02-06 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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8QVL
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, Bifunctional epoxide hydrolase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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6RKB
 | | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 | | Descriptor: | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
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8BPD
 | | Structural and Functional Characterization of the Novel Endo-alpha(1,4)-Fucoidanase Mef1 from the Marine Bacterium Muricauda eckloniae | | Descriptor: | (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Mikkelsen, M.D, Meyer, A.S, Morth, J.P. | | Deposit date: | 2022-11-16 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional characterization of the novel endo-alpha (1,4)-fucoidanase Mef1 from the marine bacterium Muricauda eckloniae.
Acta Crystallogr D Struct Biol, 79, 2023
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