5T4R
 
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8SYG
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1U3D
 | | Crystal Structure of the PHR domain of Cryptochrome 1 from Arabidopsis thaliana with AMPPNP bound | | Descriptor: | CHLORIDE ION, Cryptochrome 1 apoprotein, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ... | | Authors: | Brautigam, C.A, Smith, B.S, Ma, Z, Palnitkar, M, Tomchick, D.R, Machius, M, Deisenhofer, J. | | Deposit date: | 2004-07-21 | | Release date: | 2004-08-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of the photolyase-like domain of cryptochrome 1 from Arabidopsis thaliana.
Proc.Natl.Acad.Sci.USA, 101, 2004
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6GR4
 | | Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R | | Descriptor: | CHLORIDE ION, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | | Deposit date: | 2018-06-08 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
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5TPA
 | | Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500) | | Descriptor: | (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ... | | Authors: | Wallweber, H.J.A, Lupardus, P.J. | | Deposit date: | 2016-10-20 | | Release date: | 2016-11-30 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
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6HEF
 | | Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Hjorth-Jensen, S, Sorensen, T.L.M, Oksanen, E, Andersen, J.L, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2018-08-20 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.538 Å) | | Cite: | Membrane-protein crystals for neutron diffraction.
Acta Crystallogr D Struct Biol, 74, 2018
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6BXD
 | | Crystal structure of Variable Lymphocyte Receptor 2 (VLR2) | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, SULFATE ION, Variable Lymphocyte Receptor 2 | | Authors: | Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R. | | Deposit date: | 2017-12-18 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.103 Å) | | Cite: | VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies.
J. Mol. Biol., 430, 2018
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8OEG
 | | PDE4B bound to MAPI compound 92a | | Descriptor: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ... | | Authors: | Rizzi, A, Armani, E. | | Deposit date: | 2023-03-10 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023
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8UWL
 | | 5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | | Deposit date: | 2023-11-06 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
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6IAG
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6IBF
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-417 | | Descriptor: | (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-11-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | hPDE4D2 structure with inhibitor NPD-417
To be published
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5TP9
 | | Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178) | | Descriptor: | 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ... | | Authors: | Wallweber, H.J.A, Lupardus, P.J. | | Deposit date: | 2016-10-20 | | Release date: | 2016-11-30 | | Last modified: | 2017-02-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
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5T9J
 | | Crystal Structure of human GEN1 in complex with Holliday junction DNA in the upper interface | | Descriptor: | DNA (5'-D(*DAP*DCP*DGP*DAP*DTP*DGP*DGP*DAP*DGP*DCP*DCP*DGP*DCP*DTP*DAP*DGP*DGP*DCP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DAP*DGP*DGP*DGP*DAP*DTP*DGP*DC)-3'), DNA (5'-D(*DGP*DAP*DGP*DCP*DCP*DTP*DAP*DGP*DCP*DGP*DTP*DCP*DCP*DGP*DGP*DAP*DAP*DTP*DTP*DC)-3'), ... | | Authors: | Lee, S.-H, Biertumpfel, C. | | Deposit date: | 2016-09-09 | | Release date: | 2016-09-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.00012732 Å) | | Cite: | Human Holliday junction resolvase GEN1 uses a chromodomain for efficient DNA recognition and cleavage.
Elife, 4, 2015
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6CEG
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8I03
 | | Cryo-EM structure of the SIN3L complex from S. pombe | | Descriptor: | Chromatin modification-related protein png2, Histone deacetylase clr6, POTASSIUM ION, ... | | Authors: | Wang, C, Guo, Z, Zhan, X. | | Deposit date: | 2023-01-10 | | Release date: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
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8I8T
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8V6U
 | | 5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking | | Descriptor: | 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ... | | Authors: | Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L. | | Deposit date: | 2023-12-03 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
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8V6V
 | | Cryo-EM structure of doubly-bound SNF2h-nucleosome complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | Deposit date: | 2023-12-03 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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8V4Y
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Histone H2A type 1, ... | | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | Deposit date: | 2023-11-29 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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8V7L
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | Deposit date: | 2023-12-04 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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6I5F
 | | Crystal structure of DNA-free E.coli MutS P839E dimer mutant | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS, GLYCEROL, ... | | Authors: | Bhairosing-Kok, D, Groothuizen, F.S, Fish, A, Dharadhar, S, Winterwerp, H.H.K, Sixma, T.K. | | Deposit date: | 2018-11-13 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Sharp kinking of a coiled-coil in MutS allows DNA binding and release.
Nucleic Acids Res., 47, 2019
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6C41
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6CFB
 | | Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti | | Descriptor: | barrettide A | | Authors: | Rosengren, K.J, Carstens, B.B, Clark, R.J, Goransson, U. | | Deposit date: | 2018-02-14 | | Release date: | 2018-03-21 | | Last modified: | 2020-01-01 | | Method: | SOLUTION NMR | | Cite: | Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti.
J. Nat. Prod., 78, 2015
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6CEI
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6CCW
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