6W4X
 
 | | Holocomplex of E. coli class Ia ribonucleotide reductase with GDP and TTP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MU-OXO-DIIRON, ... | | Authors: | Kang, G, Taguchi, A, Stubbe, J, Drennan, C. | | Deposit date: | 2020-03-11 | | Release date: | 2020-04-08 | | Last modified: | 2020-05-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of a trapped radical transfer pathway within a ribonucleotide reductase holocomplex.
Science, 368, 2020
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5M10
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6ZRU
 | | Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir | | Descriptor: | DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form) | | Authors: | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | | Deposit date: | 2020-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
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5M2K
 | | Crystal structure of vancomycin-Zn(II) complex | | Descriptor: | 1,2-ETHANEDIOL, ZINC ION, vancomycin, ... | | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
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6X5S
 | | Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A3'-Asn | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[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, A3'-Asn, Alpha-(1,6)-fucosyltransferase, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2020-05-26 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
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5M2T
 | | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine at 1.03 A resolution | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2016-10-13 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine at 1.03 A resolution
To Be Published
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6ZZS
 | | Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Acinetobacter baumannii complexed with NAD+ and 3-oxovalerate | | Descriptor: | 3-hydroxybutyrate dehydrogenase, 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2020-08-05 | | Release date: | 2020-10-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
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4Y8Y
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6ZYD
 | | YnaI | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Low conductance mechanosensitive channel YnaI,Low conductance mechanosensitive channel YnaI | | Authors: | Flegler, V.J, Rasmussen, A, Rao, S, Wu, N, Zenobi, R, Sansom, M.S.P, Hedrich, R, Rasmussen, T, Boettcher, B. | | Deposit date: | 2020-07-31 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The MscS-like channel YnaI has a gating mechanism based on flexible pore helices.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VI9
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - an alkylperoxo bound structure | | Descriptor: | (5R,6Z)-5-(hydroperoxy-kappaO)-5-(hydroxy-kappaO)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8TXM
 | | Crystal structure of 05.GC.w13.02 Fab in complex with H1 HA from A/California/04/2009(H1N1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w13_B, ... | | Authors: | Lin, T.H, Moore, N, Wilson, I.A. | | Deposit date: | 2023-08-23 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
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6PU4
 | | MicroED structure of proteinase K recorded on Falcon III | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Hattne, J, Martynowycz, M.W, Penzcek, P.A, Gonen, T. | | Deposit date: | 2019-07-17 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.1 Å) | | Cite: | MicroED with the Falcon III direct electron detector.
Iucrj, 6, 2019
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8TOW
 | | Structure of a mutated photosystem II complex reveals perturbation of the oxygen-evolving complex | | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Flesher, D.A, Liu, J, Wang, J, Gisriel, C.J, Yang, K.R, Batista, V.S, Debus, R.J, Brudvig, G.W. | | Deposit date: | 2023-08-04 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.14 Å) | | Cite: | Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels.
J.Biol.Chem., 300, 2024
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6PYZ
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site | | Descriptor: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | Deposit date: | 2019-07-31 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
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6XXC
 | | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4 | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Estrogen Related Receptor gamma phosphopeptide, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2020-01-27 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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6VZW
 | | TTLL6 bound to the initiation analog | | Descriptor: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, T.E, Tjandra, N, Roll-Mecak, A. | | Deposit date: | 2020-02-28 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
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6GJI
 | | Cyclophilin A complexed with the tri-vector ligand 8. | | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate | | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | Deposit date: | 2018-05-16 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
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6XS4
 | | Crystal structure of glycyl radical enzyme ECL_02896 from Enterobacter cloacae subsp. cloacae | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Formate C-acetyltransferase | | Authors: | Valleau, D, Evdokimova, E, Stogios, P.J, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of glycyl radical enzyme ECL_02896 from Enterobacter cloacae subsp. cloacae.
To Be Published
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6XP9
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5LWT
 | | Endothiapepsin in complex with a methoxylated derivative of fragment 177 | | Descriptor: | 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2016-09-19 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.069 Å) | | Cite: | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 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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5LXF
 | | Crystal structure of the human Macrophage Colony Stimulating Factor M- CSF_C31S variant | | Descriptor: | Macrophage colony-stimulating factor 1 | | Authors: | Shahar, A, Papo, N, Zarivach, R, Kosloff, M, Bakhman, A, Rosenfeld, L, Zur, Y, Levaot, N. | | Deposit date: | 2016-09-21 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering a monomeric variant of macrophage colony-stimulating factor (M-CSF) that antagonizes the c-FMS receptor.
Biochem. J., 474, 2017
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6W22
 | | ClpA Engaged1 State bound to RepA-GFP (ClpA Focused Refinement) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | | Authors: | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | | Deposit date: | 2020-03-04 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis.
Nat.Struct.Mol.Biol., 27, 2020
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8TY7
 | | Crystal structure of 05.GC.w2.3C10 Fab in complex with H1 HA from A/California/04/2009(H1N1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w2_3C10, heavy chain, ... | | Authors: | Lin, T.H, Moore, N, Wilson, I.A. | | Deposit date: | 2023-08-24 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
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8DCT
 | | Lysozyme cluster 3 dual apo structure | | 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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