PDB: 46188 resultsInfo pagesStatus searchChemie searchBIRD

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4WMX	The structure of MBP-MCL1 bound to ligand 6 at 2.0A Descriptor: 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ... Authors: Clifton, M.C, Dranow, D.M. Deposit date: 2014-10-09 Release date: 2015-05-06 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2 Å) Cite: A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
3VBQ	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
6H5H	A computationally designed dRP lyase domain reconstructed from two heterologous fragments Descriptor: polb4 Authors: ElGamacy, M, Coles, M, Lupas, A.N. Deposit date: 2018-07-24 Release date: 2018-12-12 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Asymmetric protein design from conserved supersecondary structures. J. Struct. Biol., 204, 2018
7QJ9	Structure of recombinant human gamma-Tubulin Ring Complex 10-spoked assembly intermediate (spokes 3-12, homogeneous dataset) Descriptor: Gamma-tubulin complex component 2, Gamma-tubulin complex component 3, Gamma-tubulin complex component 4, ... Authors: Zupa, E, Pfeffer, S. Deposit date: 2021-12-16 Release date: 2022-01-26 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (8.1 Å) Cite: Modular assembly of the principal microtubule nucleator gamma-TuRC. Nat Commun, 13, 2022
7OFI	Ligand complex of RORg LBD Descriptor: (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... Authors: Xue, Y, Aagaard, A, Narjes, F. Deposit date: 2021-05-05 Release date: 2022-03-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.953 Å) Cite: AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J.Med.Chem., 64, 2021
7QDT	Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations. Descriptor: 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha Authors: Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J. Deposit date: 2021-11-30 Release date: 2022-01-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3 Å) Cite: Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone alpha. Mol.Cell.Biol., 42, 2022
7QJ6	Structure of recombinant human gamma-Tubulin Ring Complex 10-spoked assembly intermediate (spokes 3-12, substoichiometric spokes 13-14) Descriptor: Gamma-tubulin complex component 2, Gamma-tubulin complex component 3, Gamma-tubulin complex component 4, ... Authors: Zupa, E, Pfeffer, S. Deposit date: 2021-12-16 Release date: 2022-01-26 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (7.8 Å) Cite: Modular assembly of the principal microtubule nucleator gamma-TuRC. Nat Commun, 13, 2022
7OFK	Ligand complex of RORg LBD Descriptor: (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... Authors: Xue, Y, Aagaard, A, Narjes, F. Deposit date: 2021-05-05 Release date: 2022-03-16 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.61 Å) Cite: AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J.Med.Chem., 64, 2021
7NUD	Crystal structure of mouse PRMT6 in complex with inhibitor EML734 Descriptor: Protein arginine N-methyltransferase 6, methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate Authors: Bonnefond, L, Cavarelli, J. Deposit date: 2021-03-11 Release date: 2022-03-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach. J.Med.Chem., 65, 2022
7NUE	Crystal structure of mouse PRMT6 in complex with inhibitor EML736 Descriptor: Protein arginine N-methyltransferase 6, methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate Authors: Bonnefond, L, Cavarelli, J. Deposit date: 2021-03-11 Release date: 2022-03-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach. J.Med.Chem., 65, 2022
3S2W	The crystal structure of a MarR transcriptional regulator from Methanosarcina mazei Go1 Descriptor: SULFATE ION, Transcriptional regulator, MarR family Authors: Tan, K, Li, H, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2011-05-17 Release date: 2011-06-22 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.453 Å) Cite: The crystal structure of a MarR transcriptional regulator from Methanosarcina mazei Go1 To be Published
5XPG	Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 6'U7' on the target strand Descriptor: 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*A P*GP*T)-3', 5'-R(*UP*AP*U*AP*CP*AP*AP*CP*CP*UP*AP*CP*AP*UP*AP*CP*CP*UP*CP* G)-3', MAGNESIUM ION, ... Authors: Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y. Deposit date: 2017-06-02 Release date: 2018-04-18 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes. Nucleic Acids Res., 45, 2017
8SHK	Structure of binary complex of mouse cGAS and bound ATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ZINC ION Authors: Wu, S, Sohn, J. Deposit date: 2023-04-14 Release date: 2024-04-24 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.71 Å) Cite: The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun, 15, 2024
3VBY	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: IMIDAZOLE, Serine/threonine-protein kinase pim-1, furan-2-yl(1H-indol-3-yl)methanone Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
8SHU	Structure of mouse cGAS Descriptor: Cyclic GMP-AMP synthase, ZINC ION Authors: Wu, S, Sohn, J. Deposit date: 2023-04-14 Release date: 2024-04-24 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.71 Å) Cite: The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun, 15, 2024
8T7T	CryoEM structure of the HisRS-like domain of human GCN2 Descriptor: eIF-2-alpha kinase GCN2 Authors: Yin, J.Z, Keszei, A.F.A, Mazhab-Jafari, M.T, Sicheri, F. Deposit date: 2023-06-21 Release date: 2024-03-13 Last modified: 2024-09-25 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: The HisRS-like domain of GCN2 is a pseudoenzyme that can bind uncharged tRNA. Structure, 32, 2024
3IJG	Macrophage Migration Inhibitory Factor (MIF) Bound to the (R)-Stereoisomer of AV1013 Descriptor: (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, CHLORIDE ION, Macrophage migration inhibitory factor Authors: Crichlow, G.V, Cho, Y, Lolis, E.J. Deposit date: 2009-08-04 Release date: 2010-06-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast. Proc.Natl.Acad.Sci.USA, 107, 2010
8SHY	Structure of binary complex of mouse cGAS QN and bound ATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ZINC ION Authors: Wu, S, Sohn, J. Deposit date: 2023-04-14 Release date: 2024-04-24 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.77 Å) Cite: The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun, 15, 2024
7QB1	PPARg in complex with inhibitor Descriptor: 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION Authors: Petersen, J. Deposit date: 2021-11-17 Release date: 2022-05-04 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation. Acs Med.Chem.Lett., 13, 2022
2NNN	Crystal structure of probable transcriptional regulator from Pseudomonas aeruginosa Descriptor: Probable transcriptional regulator Authors: Chang, C, Evdokimova, E, Altamentova, S, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2006-10-24 Release date: 2006-11-21 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of probable transcriptional regulator from Pseudomonas aeruginosa To be Published
3VBW	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
2N9B	Solution NMR Structure of Antiparallel Myosin-10:GCN4 Tandem Coiled-Coil Descriptor: Unconventional myosin-X, General control protein GCN4 fusion Authors: Vavra, K.C, Xia, Y, Rock, R.S. Deposit date: 2015-11-12 Release date: 2016-06-15 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Competition between Coiled-Coil Structures and the Impact on Myosin-10 Bundle Selection Biophys.J., 110, 2016
8SWC	RNase H complex with ASO (OOO) and RNA Descriptor: CALCIUM ION, PHOSPHATE ION, PO ASO, ... Authors: Cho, Y.-J, Iwamoto, N. Deposit date: 2023-05-18 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (2.68 Å) Cite: Crystal structure of RNase H/RNA/PO-ASO complex at an atomic level To Be Published
7QCD	CryoEM structure of the Smc5/6-holocomplex (composite structure) Descriptor: E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, ... Authors: Hallett, S.T, Oliver, A.W. Deposit date: 2021-11-23 Release date: 2022-09-21 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (8 Å) Cite: Cryo-EM structure of the Smc5/6 holo-complex. Nucleic Acids Res., 50, 2022
7OPI	Structure of a minimal SF3B core in complex with the inactive modulator spliceostatin E (form I) Descriptor: PHD finger-like domain-containing protein 5A, Spliceostatin E (form I), Splicing factor 3B subunit 1, ... Authors: Cretu, C, Pena, V. Deposit date: 2021-05-31 Release date: 2021-08-04 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors. Nat Commun, 12, 2021

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