6XOL
 
 | | DCN1 bound to DI-1548 | | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | Authors: | Stuckey, J.A. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOP
 | | DCN1 bound to inhibitor 10 | | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | Authors: | Stuckey, J.A. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOO
 | | DCN1 bound to DI-1859 | | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | Authors: | Stuckey, J.A. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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8BRH
 | | Co-crystal structure of She4 with Myo4 peptide | | Descriptor: | KLLA0E16699p, Myo4 peptide (LYS-PHE-ILE-VAL-SER-HIS-TYR) | | Authors: | Arnese, R, Gudino, R, Meinhart, A, Clausen, T. | | Deposit date: | 2022-11-23 | | Release date: | 2024-06-05 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | UNC-45 assisted myosin folding depends on a conserved FX 3 HY motif implicated in Freeman Sheldon Syndrome.
Nat Commun, 15, 2024
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8BIK
 | | Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | | Descriptor: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M. | | Deposit date: | 2022-11-02 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
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6RSY
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6UKJ
 | | Single-Particle Cryo-EM Structure of Plasmodium falciparum Chloroquine Resistance Transporter (PfCRT) 7G8 Isoform | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Chloroquine resistance transporter, Fab Heavy Chain, ... | | Authors: | Kim, J, Tan, Y.Z, Wicht, K.J, Erramilli, S.K, Dhingra, S.K, Okombo, J, Vendome, J, Hagenah, L.M, Giacometti, S.I, Warren, A.L, Nosol, K, Roepe, P.D, Potter, C.S, Carragher, B, Kossiakoff, A.A, Quick, M, Fidock, D.A, Mancia, F. | | Deposit date: | 2019-10-05 | | Release date: | 2019-12-04 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure and drug resistance of the Plasmodium falciparum transporter PfCRT.
Nature, 576, 2019
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8BRG
 | | Crystal structure of She4 | | Descriptor: | KLLA0E16699p | | Authors: | Gudino, R, Arnese, R, Meinhart, A, Clausen, T. | | Deposit date: | 2022-11-23 | | Release date: | 2024-06-05 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | UNC-45 assisted myosin folding depends on a conserved FX 3 HY motif implicated in Freeman Sheldon Syndrome.
Nat Commun, 15, 2024
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7PXB
 | | Substrate-engaged mycobacterial Proteasome-associated ATPase - focused 3D refinement (state B) | | Descriptor: | AAA ATPase forming ring-shaped complexes, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Jomaa, A, Kavalchuk, M, Weber-Ban, E. | | Deposit date: | 2021-10-08 | | Release date: | 2022-01-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
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6OAB
 | | Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ... | | Authors: | Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
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7A72
 | | Structure of G132S BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam | | Descriptor: | ACETATE ION, Beta-lactamase, GLYCEROL, ... | | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | | Deposit date: | 2020-08-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
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6XA3
 | | Structure of the ligand free P450 monooxygenase TamI | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TamI | | Authors: | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-03 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway.
Acs Catalysis, 10, 2020
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7A5W
 | | Structure of D172N BlaC from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | | Deposit date: | 2020-08-24 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
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5LVR
 | | Crystal structure of human PCAF bromodomain in complex with compound-E (CPD-E) | | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, ... | | Authors: | Chaikuad, A, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hopkins, A.L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
ACS Med Chem Lett, 7, 2016
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4XN8
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6OF4
 | | Precursor ribosomal RNA processing complex, apo-state. | | Descriptor: | CLP1_P domain-containing protein, Ribonuclease | | Authors: | Pillon, M.C, Hsu, A.L, Krahn, J.M, Williams, J.G, Goslen, K.H, Sobhany, M, Borgnia, M.J, Stanley, R.E. | | Deposit date: | 2019-03-28 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM reveals active site coordination within a multienzyme pre-rRNA processing complex.
Nat.Struct.Mol.Biol., 26, 2019
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8F0S
 | | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | | Deposit date: | 2022-11-03 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
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5M15
 | | Synthetic nanobody in complex with MBP | | Descriptor: | Maltose-binding periplasmic protein, Synthetic nanobody L2_D09, (a-MBP#3) | | Authors: | Zimmermann, I, Egloff, P, Seeger, M.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-11-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthetic single domain antibodies for the conformational trapping of membrane proteins.
Elife, 7, 2018
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6MD8
 | | Crystal structure of CTX-M-14 with compound 3 | | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-04 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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8P1I
 | | Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ... | | Authors: | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | | Deposit date: | 2023-05-12 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae.
Embo Mol Med, 16, 2024
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8TRG
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6XLC
 | | Full-length Hsc82 bound to AMPPNP | | Descriptor: | ATP-dependent molecular chaperone HSC82, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | | Deposit date: | 2020-06-28 | | Release date: | 2021-06-30 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Full-length Hsc82 bound to AMPPNP
To Be Published
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5LLV
 | | Crystal structure of DACM F87M/L110M Transthyretin mutant | | Descriptor: | ACETATE ION, CHLORIDE ION, Transthyretin | | Authors: | Sala, B.M, Ghadami, S.A, Bemporad, F, Chiti, F, Ricagno, S. | | Deposit date: | 2016-07-28 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | FRET studies of various conformational states adopted by transthyretin.
Cell. Mol. Life Sci., 74, 2017
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6UAZ
 | | Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with glucose | | Descriptor: | Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose | | Authors: | Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T. | | Deposit date: | 2019-09-11 | | Release date: | 2020-05-20 | | Last modified: | 2020-08-05 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
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6ZWK
 | | Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody) | | Descriptor: | CHLORIDE ION, Histone H2AX, SODIUM ION, ... | | Authors: | McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A. | | Deposit date: | 2020-07-28 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress.
Cancers (Basel), 13, 2021
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