PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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5NTH	Structure of Leucyl aminopeptidase from Leishmania major in complex with actinonin 分子名称: ACTINONIN, BICARBONATE ION, MANGANESE (II) ION, ... 著者 Timm, J, Wilson, K. 登録日 2017-04-27 公開日 2017-08-02 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei. mSphere, 2, 2018
7AEG	SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide 著者 Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. 登録日 2020-09-17 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
7B7Z	DeAMPylation complex of monomeric FICD and AMPylated BiP (state 1) 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Endoplasmic reticulum chaperone BiP, ... 著者 Perera, L.A, Ron, D. 登録日 2020-12-12 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD. Nat Commun, 12, 2021
6S4H	The crystal structure of glycogen phosphorylase in complex with 8 分子名称: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... 著者 Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. 登録日 2019-06-28 公開日 2020-02-19 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
7B80	DeAMPylation complex of monomeric FICD and AMPylated BiP (state 2) 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... 著者 Perera, L.A, Ron, D. 登録日 2020-12-12 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD. Nat Commun, 12, 2021
6S52	The crystal structure of glycogen phosphorylase in complex with 14 分子名称: (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... 著者 Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. 登録日 2019-06-29 公開日 2020-02-19 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
7AEH	SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 分子名称: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE 著者 Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. 登録日 2020-09-17 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
5O38	Human Brd2(BD2) mutant in free form 分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, 3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol, Bromodomain-containing protein 2, ... 著者 Chan, K.-H, Runcie, A.C, Ciulli, A. 登録日 2017-05-23 公開日 2018-02-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
5NUN	Engineered beta-lactoglobulin: variant F105L-L39A-M107F in complex with chlorpromazine (LG-LAF-CLP) 分子名称: 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin 著者 Loch, J.I, Bonarek, P, Towrzydlo, M, Lazinskia, I, Szydlowska, J, Lewinski, K. 登録日 2017-04-30 公開日 2018-04-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers. Int. J. Biol. Macromol., 114, 2018
5O3C	Human Brd2(BD2) mutant in complex with 9-Me 分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... 著者 Runcie, A.C, Chan, K.-H, Ciulli, A. 登録日 2017-05-23 公開日 2018-02-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
6S30	Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Serine--tRNA ligase 著者 Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. 登録日 2019-06-23 公開日 2020-01-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
5NUU	Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor 分子名称: (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Caliandro, R, Pesaresi, A, Lamba, D. 登録日 2017-05-02 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
6S6G	Crystal Structure of the Homospermidine Synthase (HSS) variant E117Q from Blastochloris viridis in Complex with NAD 分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Homospermidine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Helfrich, F, Scheidig, A.J. 登録日 2019-07-03 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural and catalytic characterization of Blastochloris viridis and Pseudomonas aeruginosa homospermidine synthases supports the essential role of cation-pi interaction. Acta Crystallogr D Struct Biol, 77, 2021
5O3I	Human Brd2(BD2) mutant in complex with AL-tBu 分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... 著者 Chan, K.-H, Runcie, A.C, Ciulli, A. 登録日 2017-05-23 公開日 2018-02-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
7B7J	EccD5 ubiqutin like domain from Mycobacterium xenopi 分子名称: Secretion protein Snm4 著者 Beckham, K.S, Wilmanns, M. 登録日 2020-12-10 公開日 2021-07-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Structure of the mycobacterial ESX-5 type VII secretion system pore complex. Sci Adv, 7, 2021
6S46	Room temperature structure of the LOV2 domain of phototropin-2 from Arabidopsis thaliana 4158 ms after initiation of illumination, determined with a serial crystallography approach 分子名称: FLAVIN MONONUCLEOTIDE, Phototropin-2 著者 Aumonier, S, Santoni, G, Gotthard, G, von Stetten, D, Leonard, G, Royant, A. 登録日 2019-06-26 公開日 2020-07-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron. Iucrj, 7, 2020
7ALX	Sav-SOD: Chimeric Streptavidin-cSOD as Host for Artificial Metalloenzymes 分子名称: ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold, Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin 著者 Igareta, N.V, Christoffel, F, Peterson, R.L, Ward, T.R. 登録日 2020-10-07 公開日 2021-07-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design and evolution of chimeric streptavidin for protein-enabled dual gold catalysis Nat Catal, 4, 2021
5O3X	Structural characterization of the fast and promiscuous macrocyclase from plant - apo PCY1 分子名称: CACODYLATE ION, Peptide cyclase 1 著者 Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. 登録日 2017-05-25 公開日 2018-02-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates. ACS Chem. Biol., 13, 2018
6S5Y	Structure of tandemly arrayed consecutive Rib domains (Rib2R) from Group B Streptococcal species Streptococcus agalactiae 分子名称: Group B streptococcal R4 surface protein 著者 Whelan, F, Griffiths, S.C, Bateman, A, Potts, J.R. 登録日 2019-07-02 公開日 2019-12-11 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection. Proc.Natl.Acad.Sci.USA, 116, 2019
6S74	Crystal structure of CARM1 in complex with inhibitor UM305 分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol, GLYCEROL, Histone-arginine methyltransferase CARM1 著者 Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. 登録日 2019-07-04 公開日 2020-03-04 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4). Biochem.J., 477, 2020
5O56	Glycogen Phosphorylase b in complex with 29b 分子名称: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ... 著者 Solovou, T.G.A, Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D. 登録日 2017-05-31 公開日 2017-09-27 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study. J. Med. Chem., 60, 2017
7B21	The X183 domain from Cellvibrio japonicus Cbp2D 分子名称: 1,2-ETHANEDIOL, Carbohydrate binding protein, putative, ... 著者 Branch, J, Hemsworth, G.R. 登録日 2020-11-25 公開日 2021-07-21 最終更新日 2021-09-29 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 C-type cytochrome-initiated reduction of bacterial lytic polysaccharide monooxygenases. Biochem.J., 478, 2021
6S7E	Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants) 分子名称: FE (III) ION, Plant cysteine oxidase 4 著者 White, M.D, Levy, C.W, Flashman, E, McDonough, M.A. 登録日 2019-07-04 公開日 2020-07-22 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity. Proc.Natl.Acad.Sci.USA, 117, 2020
5NZ1	Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with sutezolid 分子名称: HTH-type transcriptional regulator EthR, ~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide 著者 Mendes, V, Blaszczyk, M, Nikiforov, P.O, Blundell, T.L. 登録日 2017-05-12 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR To Be Published
5O5R	X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1023 分子名称: (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{R})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Motlova, L, Novakova, Z, Barinka, C. 登録日 2017-06-02 公開日 2018-06-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1023 To Be Published

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