5TGN
 
 | | Crystal structure of protein Sthe_2403 from Sphaerobacter thermophilus | | Descriptor: | CHLORIDE ION, GLYCEROL, Uncharacterized protein | | Authors: | Michalska, K, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-09-28 | | Release date: | 2016-10-26 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal structure of protein Sthe_2403 from Sphaerobacter thermophilus
To Be Published
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7K9P
 | | Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX. | | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | | Authors: | Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P. | | Deposit date: | 2020-09-29 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser.
Structure, 2022
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7KCP
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5T87
 | | Crystal structure of CDI complex from Cupriavidus taiwanensis LMG 19424 | | Descriptor: | CdiA toxin, CdiI immunity protein | | Authors: | Michalska, K, Joachimiak, G, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-09-06 | | Release date: | 2017-09-13 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016).
Proteins, 86 Suppl 1, 2018
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5TD6
 | | C. elegans FOG-3 BTG/Tob domain - H47N, C117A | | Descriptor: | FOG-3 protein, SULFATE ION | | Authors: | Aoki, S.T, Bingman, C.A, Wickens, M, Kimble, J.E. | | Deposit date: | 2016-09-17 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.034 Å) | | Cite: | An RNA-Binding Multimer Specifies Nematode Sperm Fate.
Cell Rep, 23, 2018
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5TFC
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP | | Descriptor: | Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-24 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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7JWP
 | | Fab CJ11 in complex IL-18 peptide liberated by Caspase cleavage | | Descriptor: | Fab CJ11 Heavy chain, Fab CJ11 Light chain, IL-18 peptide | | Authors: | Payandeh, J, Ho, H. | | Deposit date: | 2020-08-26 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of a caspase cleavage motif antibody reveals insights into noncanonical inflammasome function.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7JM4
 | | IRF Transcription Factor | | Descriptor: | Interferon regulatory factor 4, Interferon-Stimulated Response Elements | | Authors: | Sundararaj, S, Williams, S.J, Casarotto, M.G. | | Deposit date: | 2020-07-31 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural determinants of the IRF4/DNA homodimeric complex.
Nucleic Acids Res., 49, 2021
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7K0X
 | | Marsupial T cell receptor Spl_145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, T cell receptor mu chain, ... | | Authors: | Wegrecki, M, Kannan Sivaraman, K, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-09-06 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage.
Science, 371, 2021
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5THA
 | | Gemin5 WD40 repeats in complex with a guanosyl moiety | | Descriptor: | DIGUANOSINE-5'-TRIPHOSPHATE, Gem-associated protein 5, UNKNOWN ATOM OR ION | | Authors: | Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-29 | | Release date: | 2016-10-19 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
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7VAE
 | | Cryo-EM structure of bovine NTCP complexed with YN69202Fab | | Descriptor: | Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Solute carrier family 10 (Sodium/bile acid cotransporter family), ... | | Authors: | Asami, J, Shimizu, T, Ohto, U. | | Deposit date: | 2021-08-29 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
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7VOS
 | | High-resolution neutron and X-ray joint refined structure of high-potential iron-sulfur protein in the oxidized state | | Descriptor: | AMMONIUM ION, GLYCEROL, High-potential iron-sulfur protein, ... | | Authors: | Hanazono, Y, Hirano, Y, Takeda, K, Kusaka, K, Tamada, T, Miki, K. | | Deposit date: | 2021-10-14 | | Release date: | 2022-06-01 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (0.66 Å), X-RAY DIFFRACTION | | Cite: | Revisiting the concept of peptide bond planarity in an iron-sulfur protein by neutron structure analysis.
Sci Adv, 8, 2022
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5SYQ
 | | Solution structure of Aquifex aeolicus Aq1974 | | Descriptor: | Uncharacterized protein aq_1974 | | Authors: | Sachleben, J.R, Gawlak, G, Hoey, R.J, Liu, G, Joachimiak, A, Montelione, G.T, Koide, S, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-08-11 | | Release date: | 2016-09-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Aromatic claw: A new fold with high aromatic content that evades structural prediction.
Protein Sci., 26, 2017
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7V40
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 | | Descriptor: | PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V41
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with toluene. | | Descriptor: | PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, TOLUENE, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V44
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with meta-chlorotoluene. | | Descriptor: | 1-chloranyl-2-methyl-benzene, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V61
 | | ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | | Deposit date: | 2021-08-18 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
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7V43
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-chlorotoluene. | | Descriptor: | 1-chloranyl-4-methyl-benzene, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V42
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with benzyl-alcohol. | | Descriptor: | PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7V45
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-bromotoluene. | | Descriptor: | 1-bromanyl-4-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7JZI
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7V46
 | | Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with ortho-chlorotoluene. | | Descriptor: | 1-chloranyl-3-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-08-12 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
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7VW7
 | | Crystal structure of the 2 ADP-AlF4-bound V1 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Suzuki, K, Shekhar, M, Gupta, C, Singharoy, A, Murata, T. | | Deposit date: | 2021-11-09 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.818 Å) | | Cite: | Revealing a Hidden Intermediate of Rotatory Catalysis with X-ray Crystallography and Molecular Simulations.
Acs Cent.Sci., 8, 2022
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7K0V
 | | Crystal structure of bRaf in complex with inhibitor GNE-0749 | | Descriptor: | CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase | | Authors: | Yin, J, Eigenbrot, C.E, Wang, W. | | Deposit date: | 2020-09-06 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
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7VPU
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