7PZJ
 
 | | Structure of a bacteroidetal polyethylene terephthalate (PET) esterase | | Descriptor: | Lipase, POTASSIUM ION | | Authors: | Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R. | | Deposit date: | 2021-10-12 | | Release date: | 2022-03-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity.
Front Microbiol, 12, 2021
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6RZZ
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6XCO
 | | Immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, GLYCEROL, ... | | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2020-06-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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7PYR
 | | Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | Authors: | Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E. | | Deposit date: | 2021-10-11 | | Release date: | 2022-03-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6O42
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6ORA
 | | An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase | | Descriptor: | (2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid, 2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid, ACETATE ION, ... | | Authors: | Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J. | | Deposit date: | 2019-04-29 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
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7PO6
 | | Xist (m6A)UCG tetraloop RNA bound to the YTH domain of YTHDC1 | | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, Isoform 2 of YTH domain-containing protein 1, ... | | Authors: | Jones, A.N, Mourao, A, Sattler, M. | | Deposit date: | 2021-09-08 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural effects of m6A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1.
Nucleic Acids Res., 50, 2022
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7SGF
 | | Lassa virus glycoprotein construct (Josiah GPC-I53-50A) in complex with LAVA01 antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Antanasijevic, A, Brouwer, P.J.M, Ward, A.B. | | Deposit date: | 2021-10-05 | | Release date: | 2022-10-12 | | Last modified: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (4.41 Å) | | Cite: | Lassa virus glycoprotein nanoparticles elicit neutralizing antibody responses and protection.
Cell Host Microbe, 30, 2022
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8EJE
 | | Structure of lineage II Lassa virus glycoprotein complex (strain NIG08-A41) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein GP1, ... | | Authors: | Perrett, H.R, Ward, A.B. | | Deposit date: | 2022-09-16 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Structural conservation of Lassa virus glycoproteins and recognition by neutralizing antibodies.
Cell Rep, 42, 2023
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8F5D
 | | Architecture of the MurE-MurF ligase bacterial cell wall biosynthesis complex | | Descriptor: | Multifunctional fusion protein, SULFATE ION | | Authors: | Shirakawa, K.T, Sala, F.A, Miyachiro, M.M, Job, V, Trindade, D.M, Dessen, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-06-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Architecture and genomic arrangement of the MurE-MurF bacterial cell wall biosynthesis complex.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6XQ9
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 13 | | Descriptor: | 4-(3-hydroxyphenoxy)benzoic acid, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ... | | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | Deposit date: | 2020-07-09 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
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6OWX
 | | Spy H96L:Im7 L18pI-Phe complex; multiple anomalous datasets contained herein for element identification | | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | | Deposit date: | 2019-05-12 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
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7MX3
 | | Crystal structure of human RIPK3 complexed with GSK'843 | | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3 | | Authors: | Davies, K.A, Czabotar, P.E. | | Deposit date: | 2021-05-18 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
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6XCP
 | | Immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide, ... | | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2020-06-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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6XQY
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6XQX
 | | Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION | | Authors: | Fenton, B.A, Zhou, P, Davies, C. | | Deposit date: | 2020-07-10 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
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7MZZ
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7SGD
 | | Lassa virus glycoprotein construct(Josiah GPCysR4) recovered from GPC-I53-50 nanoparticle by localized reconstruction | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Antanasijevic, A, Brouwer, P.J.M, Ward, A.B. | | Deposit date: | 2021-10-05 | | Release date: | 2022-10-12 | | Last modified: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (3.97 Å) | | Cite: | Lassa virus glycoprotein nanoparticles elicit neutralizing antibody responses and protection.
Cell Host Microbe, 30, 2022
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7MZW
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7Q0Y
 | | Crystal structure of CTX-M-14 in complex with Bortezomib | | Descriptor: | ACETATE ION, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C. | | Deposit date: | 2021-10-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
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6Y8A
 | | 14-3-3 Sigma in complex with phosphorylated camkk2{pS511} peptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | Deposit date: | 2020-03-04 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
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8ELO
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6Y8J
 | | Crystal structure of the apo form of a quaternary ammonium Rieske monooxygenase CntA | | Descriptor: | Carnitine monooxygenase oxygenase subunit, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | | Deposit date: | 2020-03-05 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
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7Q4I
 | | Crystal structure of DmC1GalT1 in complex with UDP-Mn2+ and the APD-TGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1, ... | | Authors: | Gonzalez-Ramirez, A.M, Coelho, H, Companon, I, Grosso, A.S, Yang, Z, Narimatsu, Y, Clausen, H, Marcelo, F, Corzana, F, Hurtado-Guerrero, R. | | Deposit date: | 2021-10-31 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the synthesis of the core 1 structure by C1GalT1.
Nat Commun, 13, 2022
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6Y4T
 | | Crystal structure of p38 in complex with SR63. | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-23 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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