PDB: 82203 件ウェブページステータス検索Chemie searchBIRD

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3V7T	Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold 分子名称: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone 著者 Zhang, Y, Colonna, C, Michot, N. 登録日 2011-12-22 公開日 2012-03-14 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity Bioorg.Med.Chem.Lett., 22, 2012
5WBP	Structure of human Ketohexokinase complexed with hits from fragment screening 分子名称: 3-(trifluoromethyl)quinoxalin-2(1H)-one, GLYCEROL, Ketohexokinase, ... 著者 Pandit, J. 登録日 2017-06-29 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
3LCJ	Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis complexed with CoA 分子名称: COENZYME A, Phosphopantetheine adenylyltransferase 著者 Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P. 登録日 2010-01-11 公開日 2010-07-21 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Preparation of the Crystal Complex of Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis with Coenzyme A and Investigation of Its Three-Dimensional Structure at 2.1-A frame Resolution CRYSTALLOGRAPHY REPORTS, 55, 2010
1EDQ	CRYSTAL STRUCTURE OF CHITINASE A FROM S. MARCESCENS AT 1.55 ANGSTROMS 分子名称: CHITINASE A 著者 Papanikolau, Y, Petratos, K. 登録日 2000-01-28 公開日 2000-02-18 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 De novo purification scheme and crystallization conditions yield high-resolution structures of chitinase A and its complex with the inhibitor allosamidin. Acta Crystallogr.,Sect.D, 59, 2003
6R8K	Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with an engineered HMA domain of Pikp-1 from rice (Oryza sativa) 分子名称: AVR-Pik protein, NBS-LRR class disease resistance protein Pikh-1 著者 De la Concepcion, J.C, Franceschetti, M, Banfield, M.J. 登録日 2019-04-02 公開日 2019-04-24 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Protein engineering expands the effector recognition profile of a rice NLR immune receptor. Elife, 8, 2019
6RFN	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1018 分子名称: 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide, FORMIC ACID, GLYCEROL, ... 著者 Singh, A.K, Brown, D.G. 登録日 2019-04-15 公開日 2019-07-24 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
3EPX	Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidin-3,4-diol 分子名称: (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol, CALCIUM ION, GLYCEROL, ... 著者 Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. 登録日 2008-09-30 公開日 2009-03-24 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors. Biochim.Biophys.Acta, 1794, 2009
2GFB	CRYSTAL STRUCTURE OF A CATALYTIC FAB HAVING ESTERASE-LIKE ACTIVITY 分子名称: IGG2A CNJ206 FAB (HEAVY CHAIN), IGG2A CNJ206 FAB (LIGHT CHAIN) 著者 Golinelli-Pimpaneau, B, Knossow, M. 登録日 1994-07-07 公開日 1994-09-30 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structure of a catalytic antibody Fab with esterase-like activity. Structure, 2, 1994
5SQ9	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894420 - (R,R) and (S,S) isomers 分子名称: (1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
2FSG	Complex SecA:ATP from Escherichia coli 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Preprotein translocase secA subunit 著者 Papanikolau, Y, Petratos, K, Economou, A. 登録日 2006-01-23 公開日 2007-01-16 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of dimeric SecA, the Escherichia coli preprotein translocase motor. J.Mol.Biol., 366, 2007
7YXC	Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment 分子名称: Ancestral Glucocorticoid Receptor2, CARBONATE ION, DEXAMETHASONE, ... 著者 Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. 登録日 2022-02-15 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
7YXD	Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment 分子名称: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, SHP NR Box 1 Peptide, ... 著者 Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. 登録日 2022-02-15 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
1W62	proline racemase in complex with one molecule of pyrrole-2-carboxylic acid (hemi form) 分子名称: PYRROLE-2-CARBOXYLATE, Proline racemase A 著者 Buschiazzo, A, Alzari, P. 登録日 2004-08-12 公開日 2006-02-03 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure, catalytic mechanism, and mitogenic properties of Trypanosoma cruzi proline racemase. Proc. Natl. Acad. Sci. U.S.A., 103, 2006
1W61	proline racemase in complex with 2 molecules of pyrrole-2-carboxylic acid (holo form) 分子名称: B-CELL MITOGEN, PYRROLE-2-CARBOXYLATE 著者 Buschiazzo, A, Alzari, P. 登録日 2004-08-11 公開日 2006-02-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure,Catalytic Mechanism and Mitogenic Properties of Trypanosoma Cruzi Proline Racemase Proc.Natl.Acad.Sci.USA, 103, 2006
7RXE	Crystal structure of junctophilin-2 分子名称: CITRATE ANION, ISOPROPYL ALCOHOL, Junctophilin-2 N-terminal fragment 著者 Yang, Z, Panwar, P, Van Petegem, F. 登録日 2021-08-22 公開日 2022-02-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations. Proc.Natl.Acad.Sci.USA, 119, 2022
6RPK	non-expanded bat circovirus with DNA VLP 分子名称: Capsid protein 著者 Forwood, J.K, Luque, D, Mata, C.P, Das, S, Raidal, S. 登録日 2019-05-14 公開日 2020-11-25 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (2.84 Å) 主引用文献 non-expanded bat circovirus with DNA VLP To Be Published
7YXR	Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment 分子名称: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... 著者 Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. 登録日 2022-02-16 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
7YXN	Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment 分子名称: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... 著者 Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. 登録日 2022-02-16 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
6L7X	Crystal structure of Cet1 from Trypanosoma cruzi in complex with #951 ligand 分子名称: 1,3-dimethyl-7-propyl-purine-2,6-dione, SULFATE ION, mRNA_triPase domain-containing protein 著者 Kuwabara, N, Ho, K. 登録日 2019-11-03 公開日 2020-06-03 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate. J.Biol.Chem., 295, 2020
6L7W	Crystal structure of Cet1 from Trypanosoma cruzi in complex with manganese ion. 分子名称: MANGANESE (II) ION, mRNA_triPase domain-containing protein 著者 Kuwabara, N, Ho, K. 登録日 2019-11-03 公開日 2020-06-03 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate. J.Biol.Chem., 295, 2020
6L7Y	Crystal structure of Cet1 from Trypanosoma cruzi in complex with #466 ligand. 分子名称: 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione, SULFATE ION, mRNA_triPase domain-containing protein 著者 Kuwabara, N, Ho, K. 登録日 2019-11-03 公開日 2020-06-03 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate. J.Biol.Chem., 295, 2020
5WBO	Structure of human Ketohexokinase complexed with hits from fragment screening 分子名称: 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... 著者 Pandit, J. 登録日 2017-06-29 公開日 2017-09-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
5WBR	Structure of human Ketohexokinase complexed with hits from fragment screening 分子名称: 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... 著者 Pandit, J. 登録日 2017-06-29 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
7S2N	Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation) 分子名称: Glucokinase 1 著者 Carey, S.M, Nettles, R.B, Daneshian, L, Chruszcz, M, D'Antonio, E.L. 登録日 2021-09-03 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation) To Be Published
7S2H	Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation) 分子名称: CITRATE ANION, Glucokinase 1, putative, ... 著者 Kearns, S.P, Daneshian, L, Swartz, P.D, Carey, S.M, Chruszcz, M, D'Antonio, E.L. 登録日 2021-09-03 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation) To Be Published

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