PDB: 224004 件ウェブページステータス検索Chemie searchBIRD

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7Q9O	Complex of Transthyretin with resveratrol exhibits multiple binding modes 分子名称: GLYCEROL, RESVERATROL, SODIUM ION, ... 著者 Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. 登録日 2021-11-12 公開日 2022-11-23 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci, 14, 2023
3M9H	Crystal structure of the amino terminal coiled coil domain of the Mycobacterium tuberculosis proteasomal ATPase Mpa 分子名称: Proteasome-associated ATPase 著者 Li, H, Wang, T. 登録日 2010-03-22 公開日 2010-10-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Binding-induced folding of prokaryotic ubiquitin-like protein on the Mycobacterium proteasomal ATPase targets substrates for degradation. Nat.Struct.Mol.Biol., 17, 2010
3EXL	Crystal Structure of a p53 Core Tetramer Bound to DNA 分子名称: 5'-D(*DGP*DAP*DGP*DCP*DAP*DTP*DGP*DCP*DTP*DCP*DA)-3', 5'-D(*DTP*DTP*DGP*DAP*DGP*DCP*DAP*DTP*DGP*DCP*DTP*DC)-3', CITRATE ANION, ... 著者 Malecka, K.A. 登録日 2008-10-16 公開日 2008-12-16 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of a p53 core tetramer bound to DNA. Oncogene, 28, 2009
7QXR	Azacoelenterazine-bound Renilla-type luciferase (AncFT) 分子名称: 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Fragment transplantation onto a hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT) 著者 Marek, M, Schenkmayerova, A, Janin, Y.L. 登録日 2022-01-27 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.052 Å) 主引用文献 Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
3F3M	Six Crystal Structures of Two Phosphopantetheine Adenylyltransferases Reveal an Alternative Ligand Binding Mode and an Associated Structural Change 分子名称: 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, Phosphopantetheine adenylyltransferase 著者 Lee, H.H, Yoon, H.J, Suh, S.W. 登録日 2008-10-31 公開日 2009-10-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The structure of Staphylococcus aureus phosphopantetheine adenylyltransferase in complex with 3'-phosphoadenosine 5'-phosphosulfate reveals a new ligand-binding mode Acta Crystallogr.,Sect.F, 65, 2009
7QXQ	Coelenteramide-bound Renilla-type luciferase (AncFT) 分子名称: Fragment transplantation onto hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT), N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE 著者 Marek, M, Schenkmayerova, A. 登録日 2022-01-27 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.251 Å) 主引用文献 Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
3MGD	Crystal Structure of predicted acetyltransferase with acetyl-CoA from Clostridium acetobutylicum at the resolution 1.9A, Northeast Structural Genomics Consortium Target CaR165 分子名称: ACETYL COENZYME *A, Predicted acetyltransferase 著者 Kuzin, A, Chen, Y, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) 登録日 2010-04-05 公開日 2010-04-28 最終更新日 2019-07-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Northeast Structural Genomics Consortium Target CaR165 To be published
6PDI	Human PIM1 bound to benzothiophene inhibitor 224 分子名称: 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ... 著者 Godoi, P.H.C, Fala, A.M, Santiago, A.S, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) 登録日 2019-06-19 公開日 2019-07-24 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Human PIM1 To Be Published
3MJ3	Cricket Paralysis Virus IGR IRES Domain 3 RNA bound to selenate 分子名称: Domain 3 of the cricket paralysis virus intergenic region IRES RNA, RNA (5'-R(P*UP*AP*AP*GP*AP*AP*AP*UP*UP*UP*AP*CP*CP*U)-3'), SELENATE ION 著者 Kieft, J.S, Chase, E, Costantino, D.A, Golden, B.L. 登録日 2010-04-12 公開日 2010-05-19 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Identification and characterization of anion binding sites in RNA. Rna, 16, 2010
6ZAB	Structure of the transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum in complex a palindromic DNA (P6422 space group) 分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... 著者 Morera, S, Naretto, A, Vigouroux, A, Legrand, P. 登録日 2020-06-05 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum. Nucleic Acids Res., 49, 2021
3MOR	Crystal structure of Cathepsin B from Trypanosoma Brucei 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ... 著者 Cupelli, K, Stehle, T. 登録日 2010-04-23 公開日 2011-11-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 In vivo protein crystallization opens new routes in structural biology. Nat.Methods, 9, 2012
3CJ0	Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments 分子名称: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid, RNA-directed RNA polymerase 著者 Kissinger, c. 登録日 2008-03-12 公開日 2008-04-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
6PLB	Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimida zol-2-ylidene)(eta5-pentamethylcyclopentadienyl)iridium(III) with HEWL 分子名称: 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION 著者 Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. 登録日 2019-06-30 公開日 2020-11-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation. Angew.Chem.Int.Ed.Engl., 2021
3D0I	Crystal structure of spike protein receptor-binding domain from the 2005-2006 SARS coronavirus civet strain complexed with human-civet chimeric receptor ACE2 分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... 著者 Li, F. 登録日 2008-05-01 公開日 2008-07-08 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural analysis of major species barriers between humans and palm civets for severe acute respiratory syndrome coronavirus infections J.Virol., 82, 2008
7QUX	Crystal structure of P7C8 bound to CK2alpha 分子名称: ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ... 著者 Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. 登録日 2022-01-19 公開日 2022-12-28 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
3N7W	Crystal Structure of BlaC-E166A covalently bound with Amoxicillin 分子名称: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION 著者 Tremblay, L.W, Blanchard, J.S. 登録日 2010-05-27 公開日 2011-12-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 BlaC-E166A Bound with btea-lactams of all classes To be Published
3N95	Crystal structure of human CRFR2 alpha extracellular domain in complex with Urocortin 2 分子名称: Maltose binding protein-CRFR2 alpha extracellular domain, Urocortin-2, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose 著者 Pal, K, Swaminathan, K, Pioszak, A.A, Xu, H.E. 登録日 2010-05-28 公開日 2010-10-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 Structural basis of ligand selectivity in human CRFR1 and CRFR2 alpha extracellular domain To be Published
3NM3	The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes 分子名称: MAGNESIUM ION, PYROPHOSPHATE 2-, THIAMIN PHOSPHATE, ... 著者 Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. 登録日 2010-06-21 公開日 2010-11-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.102 Å) 主引用文献 Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
3NDE	Crystal Structure of BlaC-E166A covalently bound with Cephalotin 分子名称: (2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Tremblay, L.W, Blanchard, J.S. 登録日 2010-06-07 公開日 2011-12-14 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 BlaC-E166A covalently bound with cephalosporins and penicillins To be Published
3CEM	Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423 分子名称: 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Glycogen phosphorylase, liver form, ... 著者 Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. 登録日 2008-02-29 公開日 2008-05-27 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
6XTC	Crystal structure of haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3 分子名称: GLYCEROL, Haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3, SULFATE ION 著者 Markova, K, Damborsky, J, Marek, M. 登録日 2020-01-16 公開日 2021-01-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.543 Å) 主引用文献 Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers Acs Catalysis, 11, 2021
6XPI	CutR flat hexamer, form 1 分子名称: Ethanolamine utilization protein EutS 著者 Ochoa, J.M, Sawaya, M.R, Nguyen, V.N, Duilio, C, Yeates, T.O. 登録日 2020-07-08 公開日 2020-07-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Symmetry breaking and structural polymorphism in a bacterial microcompartment shell protein for choline utilization. Protein Sci., 29, 2020
6XVJ	Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor 分子名称: Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide 著者 Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. 登録日 2020-01-22 公開日 2020-05-27 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
3CEH	Human liver glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE5688 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid, Glycogen phosphorylase, ... 著者 Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. 登録日 2008-02-29 公開日 2008-05-27 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
3CIZ	Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments 分子名称: 2-amino-5-bromobenzoic acid, RNA-directed RNA polymerase, ZINC ION 著者 Hendle, j. 登録日 2008-03-12 公開日 2008-04-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008

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