PDB: 245011 resultsInfo pagesStatus searchChemie searchBIRD

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6QFE	Crystal Structure of Human Kallikrein 5 in complex with GSK144 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, ... Authors: Thorpe, J.H. Deposit date: 2019-01-10 Release date: 2019-05-08 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
1L23	ENHANCED PROTEIN THERMOSTABILITY FROM SITE-DIRECTED MUTATIONS THAT DECREASE THE ENTROPY OF UNFOLDING Descriptor: T4 LYSOZYME Authors: Nicholson, H, Matthews, B.W. Deposit date: 1989-05-01 Release date: 1990-01-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Enhanced protein thermostability from site-directed mutations that decrease the entropy of unfolding. Proc.Natl.Acad.Sci.USA, 84, 1987
7H87	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741968196 (CHIKV_MacB-x1132) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. Deposit date: 2024-04-26 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
4S0S	STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN with ADNECTIN-1 Descriptor: Adnectin-1, Nuclear receptor subfamily 1 group I member 2 Authors: Khan, J.A. Deposit date: 2015-01-05 Release date: 2015-02-11 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR. J.Mol.Biol., 427, 2015
3DTT	Crystal structure of a putative f420 dependent nadp-reductase (arth_0613) from arthrobacter sp. fb24 at 1.70 A resolution Descriptor: ACETATE ION, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2008-07-15 Release date: 2008-08-12 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of putative coenzyme F420H2:NADP+ oxidoreductase (YP_830112.1) from Arthrobacter sp. FB24 at 1.70 A resolution To be published
7VUH	Cryo-EM structure of a class A orphan GPCR Descriptor: 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... Authors: Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. Deposit date: 2021-11-02 Release date: 2021-12-29 Last modified: 2025-06-18 Method: ELECTRON MICROSCOPY (3.22 Å) Cite: Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139. Cell Res., 32, 2022
4OI7	RAGE recognizes nucleic acids and promotes inflammatory responses to DNA Descriptor: 1,2-ETHANEDIOL, 5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*TP*AP*GP*CP*AP*TP*CP*GP*TP*TP*GP*CP*AP*G)-3', 5'-D(*CP*TP*GP*CP*AP*AP*CP*GP*AP*TP*GP*CP*TP*AP*CP*GP*AP*AP*CP*GP*TP*G)-3', ... Authors: Jin, T, Jiang, J, Xiao, T. Deposit date: 2014-01-19 Release date: 2014-04-30 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (3.104 Å) Cite: RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA. J.Exp.Med., 210, 2013
6B33	Structure of RORgt in complex with a novel inverse agonist 3 Descriptor: (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide, Nuclear receptor ROR-gamma Authors: Skene, R.J, Hoffman, I, Snell, G. Deposit date: 2017-09-20 Release date: 2018-11-21 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Design and Synthesis of Conformationally Constrained ROR gamma t Inverse Agonists. Chemmedchem, 2019
7VUJ	Cryo-EM structure of a class A orphan GPCR Descriptor: 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. Deposit date: 2021-11-02 Release date: 2021-12-29 Last modified: 2025-07-02 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139. Cell Res., 32, 2022
7VUI	Cryo-EM structure of a class A orphan GPCR Descriptor: 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Chimera of Endo-1,4-beta-xylanase and Probable G-protein coupled receptor 139, GUANOSINE-5'-TRIPHOSPHATE, ... Authors: Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. Deposit date: 2021-11-02 Release date: 2021-12-29 Last modified: 2025-07-02 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139. Cell Res., 32, 2022
5CLZ	X-ray structure of TTR mutant - T119M at 1.22A resolution Descriptor: Transthyretin Authors: Yee, A.W, Moulin, M, Mossou, E, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. Deposit date: 2015-07-16 Release date: 2016-07-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.22 Å) Cite: X-ray structure of TTR mutant - T119M at 1.22A resolution To Be Published
6LXO	TvCyP2 in apo form 1 Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase, SULFATE ION Authors: Aryal, S, Chen, C, Hsu, C.H. Deposit date: 2020-02-11 Release date: 2020-09-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.89 Å) Cite: N-Terminal Segment of TvCyP2 Cyclophilin fromTrichomonas vaginalisIs Involved in Self-Association, Membrane Interaction, and Subcellular Localization. Biomolecules, 10, 2020
9H65	Steroidal Selective Modulators of FXR with Therapeutic Potential Descriptor: 1-[(3R)-3-[(3R,4R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea, Bile acid receptor, Nuclear receptor coactivator 2 Authors: Kydd-Sinclair, D, Watson, K.A. Deposit date: 2024-10-23 Release date: 2025-09-10 Last modified: 2025-09-17 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structural Basis of Novel Bile Acid-Based Modulators of FXR. J.Mol.Biol., 437, 2025
7B80	DeAMPylation complex of monomeric FICD and AMPylated BiP (state 2) Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... Authors: Perera, L.A, Ron, D. Deposit date: 2020-12-12 Release date: 2021-07-07 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD. Nat Commun, 12, 2021
7H86	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56968535 (CHIKV_MacB-x1131) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. Deposit date: 2024-04-26 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
3W8R	Mutant structure of Thermus thermophilus HB8 uridine-cytidine kinase Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Uridine kinase Authors: Tomoike, F, Nakagawa, N, Masui, R, Kuramitsu, S. Deposit date: 2013-03-21 Release date: 2014-03-26 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Indispensable residue for uridine binding in the uridine-cytidine kinase family. Biochem Biophys Rep, 11, 2017
7H7V	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00023823 (CHIKV_MacB-x1075) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-bromanylpyridin-2-amine, CHLORIDE ION, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. Deposit date: 2024-04-26 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
6SII	T. brucei FPPS in complex with 1-((1H-indol-3-yl)methyl)-N-(3-chlorobenzyl)piperidin-4-amine Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL, ~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine Authors: Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. Deposit date: 2019-08-09 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.33 Å) Cite: T. brucei FPPS To Be Published
6B66	IMPase (AF2372) R92Q/K164E with 400 mM Glutamate Descriptor: Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, GLUTAMIC ACID, GLYCEROL, ... Authors: Goldstein, R.I, Roberts, M. Deposit date: 2017-10-01 Release date: 2018-10-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372) To Be Published
7VUG	Cryo-EM structure of a class A orphan GPCR in complex with Gi Descriptor: 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Chimera of Endo-1,4-beta-xylanase and Probable G-protein coupled receptor 139, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. Deposit date: 2021-11-02 Release date: 2021-12-29 Last modified: 2025-06-18 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139. Cell Res., 32, 2022
8E35	E. coli 50S ribosome bound to compound SAB002 Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... Authors: Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. Deposit date: 2022-08-16 Release date: 2023-06-28 Last modified: 2025-03-19 Method: ELECTRON MICROSCOPY (2.27 Å) Cite: Potential for clicked streptogramin analogs To Be Published
7H7R	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546965 (CHIKV_MacB-x0934) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. Deposit date: 2024-04-26 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
7H82	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z275118248 (CHIKV_MacB-x1116) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. Deposit date: 2024-04-26 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
8E33	E. coli 50S ribosome bound to compound streptogramin analog SAB001 Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... Authors: Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. Deposit date: 2022-08-16 Release date: 2023-06-28 Last modified: 2025-03-19 Method: ELECTRON MICROSCOPY (2.23 Å) Cite: Potential for clicked streptogramin analogs To Be Published
7H85	Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56896153 (CHIKV_MacB-x1125) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-cyanoacetamide, CHLORIDE ION, ... Authors: Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. Deposit date: 2024-04-26 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published

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