7NSB
 
 | | Supramolecular assembly module of yeast Chelator-GID SR4 E3 ubiquitin ligase | | Descriptor: | Glucose-induced degradation protein 7, Glucose-induced degradation protein 8, Vacuolar import and degradation protein 30 | | Authors: | Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-05-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
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7T6A
 | | Crystal structure of Avr1 (SIX4) from Fusarium oxysporum f. sp. lycopersici | | Descriptor: | Avr1 (FolSIX4), Avirulence protein 1, Avr1 (SIX4), ... | | Authors: | Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J. | | Deposit date: | 2021-12-13 | | Release date: | 2023-01-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies
Elife, 2023
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1AL4
 | | GRAMICIDIN D FROM BACILLUS BREVIS (N-PROPANOL SOLVATE) | | Descriptor: | GRAMICIDIN D, N-PROPANOL | | Authors: | Burkhart, B.M, Gassman, R.M, Pangborn, W.A, Duax, W.L. | | Deposit date: | 1997-06-11 | | Release date: | 1998-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Heterodimer Formation and Crystal Nucleation of Gramicidin D
Biophys.J., 75, 1998
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7NS5
 | | Structure of yeast Fbp1 (Fructose-1,6-bisphosphatase 1) | | Descriptor: | Fructose-1,6-bisphosphatase, MAGNESIUM ION, PHOSPHATE ION | | Authors: | Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-05-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
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6GOF
 | | KRAS full length G12D GPPNHP | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5F0P
 | | Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1(L557M) (SeMet labeled) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ... | | Authors: | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
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7NSC
 | | Substrate receptor scaffolding module of human CTLH E3 ubiquitin ligase | | Descriptor: | Glucose-induced degradation protein 4 homolog, Glucose-induced degradation protein 8 homolog, Isoform 2 of Armadillo repeat-containing protein 8, ... | | Authors: | Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-05-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
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4ZV6
 | | Crystal structure of the artificial alpharep-7 octarellinV.1 complex | | Descriptor: | AlphaRep-7, Octarellin V.1 | | Authors: | Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C. | | Deposit date: | 2015-05-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
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6WHK
 | | Minimally mutated anti-influenza broadly neutralizing antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Fab Heavy Chain, ... | | Authors: | Bajic, G, Schmidt, A.G. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Minimally mutated anti-influenza broadly neutralizing antibody
To Be Published
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6RWO
 | | SIVrcm intasome (Q148H/G140S) in complex with bictegravir | | Descriptor: | Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ... | | Authors: | Cherepanov, P, Nans, A, Cook, N. | | Deposit date: | 2019-06-05 | | Release date: | 2020-02-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
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8D08
 | | Hallucinated C4 protein assembly HALC4_135 | | Descriptor: | HALC4_135 | | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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5JAD
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6NPD
 | | X-ray crystal structure of TmpA, 2-trimethylaminoethylphosphonate hydroxylase, with Fe, 2OG, and (R)-1-hydroxy-2-trimethylaminoethylphosphonate | | Descriptor: | (2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium, FE (II) ION, TmpA, ... | | Authors: | Rajakovich, L.J, Mitchell, A.J, Boal, A.K. | | Deposit date: | 2019-01-17 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases.
Biochemistry, 58, 2019
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8T6N
 | | Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | | Descriptor: | T33-27.1 : A, T33-27.1 : B | | Authors: | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | | Deposit date: | 2023-06-16 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.63 Å) | | Cite: | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7NS4
 | | Catalytic module of yeast Chelator-GID SR4 E3 ubiquitin ligase | | Descriptor: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, ZINC ION | | Authors: | Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-05-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
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4U6S
 | | CtBP1 in complex with substrate phenylpyruvate | | Descriptor: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
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5HEY
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5AG4
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | | Descriptor: | (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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5XLV
 | | Mycobacterium tuberculosis Pantothenate kinase mutant F254A | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pantothenate kinase, ... | | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2017-05-11 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5NHT
 | | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | | Authors: | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | Deposit date: | 2017-03-22 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
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6S7P
 | | Nucleotide bound ABCB4 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, MAGNESIUM ION, ... | | Authors: | Olsen, J.A, Alam, A, Kowal, J, Stieger, B, Locher, K.P. | | Deposit date: | 2019-07-05 | | Release date: | 2019-12-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the human lipid exporter ABCB4 in a lipid environment.
Nat.Struct.Mol.Biol., 27, 2020
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6OT5
 | | Structure of the TRPV3 K169A sensitized mutant in the presence of 2-APB at 3.6 A resolution | | Descriptor: | 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 3,Transient receptor potential cation channel subfamily V member 3 | | Authors: | Zubcevic, L, Borschel, W.F, Hsu, A.L, Borgnia, M.J, Lee, S.-Y. | | Deposit date: | 2019-05-02 | | Release date: | 2019-05-22 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Regulatory switch at the cytoplasmic interface controls TRPV channel gating.
Elife, 8, 2019
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7ZUI
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6 | | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
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5AGV
 | | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | Deposit date: | 2015-02-03 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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6GOH
 | | X-ray structure of the adduct formed upon reaction of lysozyme with a Pt(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
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