6UF9
 
 | | S4 symmetric peptide design number 1, Tim apo form | | Descriptor: | S4-1, Tim apo-form, SULFATE ION | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-24 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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5I2Z
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24). | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | Deposit date: | 2016-02-09 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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6M37
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6UIY
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | Descriptor: | ACETATE ION, Streptavidin, {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) | | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2019-10-01 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
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6OKG
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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6M6Z
 | | A de novo designed transmembrane nanopore, TMH4C4 | | Descriptor: | TMH4C4 | | Authors: | Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D. | | Deposit date: | 2020-03-16 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Computational design of transmembrane pores.
Nature, 585, 2020
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8GNK
 | | CryoEM structure of cytosol-facing, substrate-bound ratGAT1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLESTEROL, ... | | Authors: | Nayak, S.R, Joseph, D, Penmatsa, A. | | Deposit date: | 2022-08-24 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of GABA transporter 1 reveals substrate recognition and transport mechanism.
Nat.Struct.Mol.Biol., 30, 2023
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6LZ2
 | | Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb44) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D. | | Deposit date: | 2020-02-17 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | An improved fluorescent tag and its nanobodies for membrane protein expression, stability assay, and purification.
Commun Biol, 3, 2020
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6WRY
 | | CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AFTER ADDITION OF INOSITOL 1,3,4-TRISPHOSPHATE AT 2.5 ANGSTROM RESOLUTION | | Descriptor: | GADOLINIUM ATOM, Inositol polyphosphate 1-phosphatase, SULFATE ION | | Authors: | Dollins, D.R, Endo-Streeter, S, York, J.D. | | Deposit date: | 2020-04-30 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A structural basis for lithium and substrate binding of an inositide phosphatase.
J.Biol.Chem., 296, 2020
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6X1Y
 | | Mre11 dimer in complex with small molecule modulator PFMI | | Descriptor: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclease SbcCD subunit D | | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | | Deposit date: | 2020-05-19 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response.
Prog.Biophys.Mol.Biol., 163, 2021
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5L9E
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, Carbonic anhydrase 2, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | Deposit date: | 2016-06-10 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
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6M36
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5L13
 | | Structure of ALDH2 in complex with 2P3 | | Descriptor: | 1,2-ETHANEDIOL, 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one, Aldehyde dehydrogenase, ... | | Authors: | Buchman, C.D, Hurley, T.D. | | Deposit date: | 2016-07-28 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
J. Med. Chem., 60, 2017
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7MLH
 | | Crystal structure of human IgE (2F10) in complex with Der p 2.0103 | | Descriptor: | CHLORIDE ION, Der p 2 variant 3, IgE Heavy chain, ... | | Authors: | Khatri, K, Kapingidza, A.B, Richardson, C.M, Vailes, L.D, Wunschmann, S, Dolamore, C, Chapman, M.D, Smith, S.A, Pomes, A, Chruszcz, M. | | Deposit date: | 2021-04-28 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human IgE monoclonal antibody recognition of mite allergen Der p 2 defines structural basis of an epitope for IgE cross-linking and anaphylaxis in vivo.
Pnas Nexus, 1, 2022
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6O6Y
 | | Crystal structure of Csm6 in complex with cyclic-tetraadenylates (cA4) by cocrystallization of Csm6 and cA4 | | Descriptor: | 2',3'- cyclic AMP, 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, Csm6 | | Authors: | Jia, N, Patel, D.J. | | Deposit date: | 2019-03-07 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
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6TX7
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5KW6
 | | Two Tandem RRM Domains of PUF60 Bound to an AdML Pre-mRNA 3' Splice Site Analogue with a Modified Binding-Site Nucleic Acid Base | | Descriptor: | DNA (30-MER), Poly(U)-binding-splicing factor PUF60 | | Authors: | Crichlow, G.V, Hsiao, H.-H, Albright, R, Lolis, E.J, Braddock, D.T. | | Deposit date: | 2016-07-15 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
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8DPB
 | | MeaB in complex with the cobalamin-binding domain of its target mutase with GMPPCP bound | | Descriptor: | GLYCEROL, MAGNESIUM ION, Methylmalonyl-CoA mutase accessory protein, ... | | Authors: | Vaccaro, F.A, Born, D.A, Drennan, C.L. | | Deposit date: | 2022-07-15 | | Release date: | 2023-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structure of metallochaperone in complex with the cobalamin-binding domain of its target mutase provides insight into cofactor delivery.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5IK7
 | | Laminin A2LG45 I-form, Apo. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Briggs, D.C, Hohenester, E, Campbell, K.P. | | Deposit date: | 2016-03-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of laminin binding to the LARGE glycans on dystroglycan.
Nat.Chem.Biol., 12, 2016
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6OM5
 | | Structure of a haemophore from Haemophilus haemolyticus | | Descriptor: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Torrado, M, Walshe, J.L, Mackay, J.P, Guss, J.M, Gell, D.A. | | Deposit date: | 2019-04-18 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A heme-binding protein produced by Haemophilus haemolyticus inhibits non-typeable Haemophilus influenzae.
Mol.Microbiol., 113, 2020
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7R1E
 | | Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by Serial femtosecond crystallography | | Descriptor: | GLYCEROL, Pesticidal crystal protein Cry11Ba | | Authors: | Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | | Deposit date: | 2022-02-02 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
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5L2F
 | | High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D bound to doripenem | | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ACETATE ION, Beta-lactamase, ... | | Authors: | June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T. | | Deposit date: | 2016-08-01 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
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6ZW0
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6ZVZ
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8SGD
 | | Crystal Structure of CDC3(G) - CDC10(Delta 1-10) heterocomplex from Saccharomyces cerevisiae | | Descriptor: | CDC10 isoform 1, CDC3 isoform 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Saladino, G.C.R, Leonardo, D.A, Pereira, H.M, Garratt, R.C. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | A key piece of the puzzle: The central tetramer of the Saccharomyces cerevisiae septin protofilament and its implications for self-assembly.
J.Struct.Biol., 215, 2023
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