6FO0
| CryoEM structure of bovine cytochrome bc1 in complex with the anti-malarial compound GSK932121 | Descriptor: | 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, Chain I/V, Cytochrome b, ... | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | Deposit date: | 2018-02-05 | Release date: | 2018-02-28 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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6FO2
| CryoEM structure of bovine cytochrome bc1 with no ligand bound | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 1, mitochondrial, ... | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | Deposit date: | 2018-02-05 | Release date: | 2018-02-28 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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6FPN
| Lytic transglycosylase in action | Descriptor: | Putative soluble lytic murein transglycosylase, SULFATE ION | Authors: | Williams, A.H, Hoauz, A, Boneca, I.G. | Deposit date: | 2018-02-11 | Release date: | 2018-03-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | A step-by-stepin crystalloguide to bond cleavage and 1,6-anhydro-sugar product synthesis by a peptidoglycan-degrading lytic transglycosylase. J. Biol. Chem., 293, 2018
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8Q68
| Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143 | Descriptor: | Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide | Authors: | Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L. | Deposit date: | 2023-08-11 | Release date: | 2023-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models. Mol.Cancer Ther., 23, 2024
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6GQ3
| Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ... | Authors: | Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J. | Deposit date: | 2018-06-07 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity. Commun Biol, 2, 2019
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8S9F
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8S93
| Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase | Descriptor: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, GLYCEROL, Tyrosine-protein kinase BTK, ... | Authors: | Lin, D.Y, Andreotti, A.H. | Deposit date: | 2023-03-27 | Release date: | 2023-08-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife, 12, 2024
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6H5F
| LtgA disordered Helix | Descriptor: | Putative soluble lytic murein transglycosylase | Authors: | Williams, A.H. | Deposit date: | 2018-07-24 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Defective lytic transglycosylase disrupts cell morphogenesis by hindering cell wall de-O-acetylation inNeisseria meningitidis. Elife, 9, 2020
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8SJF
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8SZO
| Canavalia villosa lectin in complex with alpha-methyl-mannoside | Descriptor: | CALCIUM ION, Canavalia villosa lectin, GLYCEROL, ... | Authors: | Cavada, B.S, Lossio, C.F, Pinto-Junior, V.R, Osterne, V.J.S, Oliveira, M.V, Neco, A.H.B, Nascimento, K.S. | Deposit date: | 2023-05-30 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lectin from Canavalia villosa seeds: A glucose/mannose-specific protein and a new tool for inflammation studies. Int J Biol Macromol, 105, 2017
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8STR
| Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Chan, A.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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6HY2
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7JNO
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7KBY
| Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, CYANIDE ION, Streptavidin, ... | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-10-03 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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7JK7
| Crystal structure of Importin alpha 2 in complex with LSD1 NLS S111E mutant | Descriptor: | GLYCEROL, Importin subunit alpha-1, Lysine-specific histone demethylase 1A | Authors: | Tu, W.J, McCuaig, R, Tan, A.H.Y, Hardy, K, Seddiki, N, Ali, S, Dahlstron, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S. | Deposit date: | 2020-07-27 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch. Front Immunol, 11, 2020
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7K7T
| Crystal structure of human MORC4 ATPase-CW in complex with AMPPNP | Descriptor: | Isoform 3 of MORC family CW-type zinc finger protein 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Klein, B.J, Tencer, A.H, Kutateladze, T.G. | Deposit date: | 2020-09-24 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Molecular mechanism of the MORC4 ATPase activation. Nat Commun, 11, 2020
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7KBZ
| Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | CYANIDE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-10-03 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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7KNL
| Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | Streptavidin | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Biswas, A, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-11-04 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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2K79
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2KIC
| n-NafY. N-terminal domain of NafY | Descriptor: | Nitrogenase gamma subunit | Authors: | Phillips, A.H, Hernandez, J.A, Erbil, K, Pelton, J.G, Wemmer, D.E, Rubio, L.M. | Deposit date: | 2009-05-01 | Release date: | 2010-12-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Biological activity and solution structure of the apo-dinitrogenase binding domain of NafY J.Biol.Chem., 2010
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2K6A
| Solution structure of EAS D15 truncation mutant | Descriptor: | Hydrophobin | Authors: | Kwan, A.H. | Deposit date: | 2008-07-07 | Release date: | 2008-08-19 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | The Cys3-Cys4 loop of the hydrophobin EAS is not required for rodlet formation and surface activity. J.Mol.Biol., 382, 2008
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2K71
| Structure and dynamics of a DNA GNRA hairpin solved vy high-sensitivity NMR with two independent converging methods, simulated annealing (DYANA) and mesoscopic molecular modelling (BCE/AMBER) | Descriptor: | 5'-D(*DGP*DCP*DGP*DAP*DAP*DAP*DGP*DC)-3' | Authors: | Santini, G.P.H, Cognet, J.A.H, Xu, D, Singarapu, K.K, Herve du Penhoat, C.L.M. | Deposit date: | 2008-07-29 | Release date: | 2009-07-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nucleic acid folding determined by mesoscale modeling and NMR spectroscopy: solution structure of d(GCGAAAGC). J.Phys.Chem.B, 113, 2009
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2K7A
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2KAE
| data-driven model of MED1:DNA complex | Descriptor: | 5'-D(*DCP*DGP*DGP*DAP*DAP*DAP*DAP*DGP*DTP*DAP*DTP*DAP*DCP*DTP*DTP*DTP*DTP*DCP*DCP*DG)-3', GATA-type transcription factor, ZINC ION | Authors: | Lowry, J.A, Gamsjaeger, R, Thong, S, Hung, W, Kwan, A.H, Broitman-Maduro, G, Matthews, J.M, Maduro, M, Mackay, J.P. | Deposit date: | 2008-11-04 | Release date: | 2009-01-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Analysis of MED-1 Reveals Unexpected Diversity in the Mechanism of DNA Recognition by GATA-type Zinc Finger Domains. J.Biol.Chem., 284, 2009
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2K8E
| Solution NMR Structure of protein of unknown function yegP from E. coli. Ontario Center for Structural Proteomics target EC0640_1_123 Northeast Structural Genomics Consortium Target ET102. | Descriptor: | UPF0339 protein yegP | Authors: | Fares, C, Lemak, A, Gutmanas, A, Karra, M, Yee, A.H, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2008-09-08 | Release date: | 2008-10-14 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of protein yegP from Escherichia Coli. To be Published
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