PDB: 97138 件ウェブページステータス検索Chemie searchBIRD

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1UY2	Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry 分子名称: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ... 著者 Van Bueren, A.L, Boraston, A.B. 登録日 2004-03-01 公開日 2004-06-18 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites. J.Mol.Biol., 340, 2004
5GIH	Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine 分子名称: COENZYME A, Dopamine N-acetyltransferase, N-(2-phenylethyl)acetamide 著者 Yang, Y.C, Wu, C.Y, Cheng, H.C, Lyu, P.C. 登録日 2016-06-23 公開日 2017-07-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.392 Å) 主引用文献 Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine To Be Published
8WXY	Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 分子名称: 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL 著者 Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. 登録日 2023-10-30 公開日 2024-01-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.87 Å) 主引用文献 Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
4EGH	Hsp90-alpha ATPase domain in complex with (4-Hydroxyphenyl)morpholin-4-yl methanone 分子名称: (4-hydroxyphenyl)(morpholin-4-yl)methanone, Heat shock protein HSP 90-alpha, MAGNESIUM ION 著者 Chen, W.J, Wood, S.P. 登録日 2012-03-30 公開日 2012-05-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Fragment screening using capillary electrophoresis (CEfrag) for hit identification of heat shock protein 90 ATPase inhibitors. J Biomol Screen, 17, 2012
4EGK	Human Hsp90-alpha ATPase domain bound to Radicicol 分子名称: Heat shock protein HSP 90-alpha, RADICICOL 著者 Chen, W.J, Wood, S.P. 登録日 2012-03-31 公開日 2012-05-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Fragment screening using capillary electrophoresis (CEfrag) for hit identification of heat shock protein 90 ATPase inhibitors. J Biomol Screen, 17, 2012
1UY1	Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry 分子名称: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ... 著者 Van Bueren, A.L, Boraston, A.B. 登録日 2004-03-01 公開日 2004-06-18 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites. J.Mol.Biol., 340, 2004
8BU8	Double-motif Single-stranded Paranemic Crossover RNA Triangle (2PXT) 分子名称: RNA (354-MER) 著者 Sampedro, N, Andersen, E.S, McRae, E.K.S. 登録日 2022-11-30 公開日 2024-01-24 実験手法 ELECTRON MICROSCOPY (6.56 Å) 主引用文献 An RNA Paranemic Crossover Triangle as A 3D Module for Cotranscriptional Nanoassembly. Small, 19, 2023
5FHQ	Crystal structure of (WT) Rat Catechol-O-Methyltransferase in complex with AdoMet and 3,5-dinitrocatechol (DNC) 分子名称: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... 著者 Levy, C. 登録日 2015-12-22 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Effects of Active-Site Modification and Quaternary Structure on the Regioselectivity of Catechol-O-Methyltransferase. Angew.Chem.Int.Ed.Engl., 55, 2016
1P7L	S-Adenosylmethionine synthetase complexed with AMPPNP and Met. 分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, METHIONINE, ... 著者 Takusagawa, F, Komoto, J. 登録日 2003-05-02 公開日 2004-03-02 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of the s-adenosylmethionine synthetase ternary complex: a novel catalytic mechanism of s-adenosylmethionine synthesis from ATP and MET. Biochemistry, 43, 2004
3HA6	Crystal structure of aurora A in complex with TPX2 and compound 10 分子名称: N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2 著者 Zhao, B, Clark, M.A. 登録日 2009-05-01 公開日 2009-08-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
4GOK	The Crystal structure of Arl2GppNHp in complex with UNC119a 分子名称: ADP-ribosylation factor-like protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Ismail, S, Xiang-Chen, Y, Miertzschke, M, Vetter, I, Koerner, C, Wittinghofer, A. 登録日 2012-08-20 公開日 2012-09-19 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural basis for Arl3-specific release of myristoylated ciliary cargo from UNC119. Embo J., 31, 2012
4LCH	Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-051 complex 分子名称: (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-beta-methyl-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... 著者 Lee, C.-J, Zhou, P. 登録日 2013-06-21 公開日 2013-08-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.596 Å) 主引用文献 Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors. J.Med.Chem., 56, 2013
1XT5	Crystal Structure of VCBP3, domain 1, from Branchiostoma floridae 分子名称: SULFATE ION, variable region-containing chitin-binding protein 3 著者 Hernandez Prada, J.A, Haire, R.N, Cannon, J.P, Allaire, M, Jakoncic, J, Stojanoff, V, Litman, G.W, Ostrov, D.A. 登録日 2004-10-21 公開日 2005-10-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Ancient evolutionary origin of diversified variable regions demonstrated by crystal structures of an immune-type receptor in amphioxus. Nat.Immunol., 7, 2006
6S9Z	Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-07-15 公開日 2020-04-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
6SAS	Human Carbonic Anhydrase II in complex with fragment. 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-07-17 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
6SAY	Human Carbonic Anhydrase II in complex with fragment. 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, (8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-07-18 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
6SB7	Human Carbonic Anhydrase II in complex with fragment. 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloranylthiophene-2-sulfonamide, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-07-19 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
3NDM	Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative 分子名称: (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide, Rho-Associated Protein Kinase (ROCK1) 著者 Li, X. 登録日 2010-06-07 公開日 2010-12-08 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines. Bioorg.Med.Chem.Lett., 20, 2010
4LCF	Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-014 complex 分子名称: NITRATE ION, Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-histidinamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... 著者 Lee, C.-J, Zhou, P. 登録日 2013-06-21 公開日 2013-08-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.599 Å) 主引用文献 Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors. J.Med.Chem., 56, 2013
5GIF	Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Binary Complex with Acetyl-CoA 分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETYL COENZYME *A, Dopamine N-acetyltransferase 著者 Yang, Y.C, Wu, C.Y, Cheng, H.C, Lyu, P.C. 登録日 2016-06-23 公開日 2017-07-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Binary Complex with Acetyl-CoA To Be Published
4KGT	Backbone Modifications in the Protein GB1 Turns: Aib10, D-Pro47 分子名称: Streptococcal Protein GB1 Backbone Modified Variant: Aib10, D-Pro47 著者 Reinert, Z.E, Lengyel, G.A, Horne, W.S. 登録日 2013-04-29 公開日 2013-09-04 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Protein-like Tertiary Folding Behavior from Heterogeneous Backbones. J.Am.Chem.Soc., 135, 2013
3HCK	NMR ensemble of the uncomplexed human HCK SH2 domain, 20 structures 分子名称: HCK SH2 著者 Zhang, W, Smithgall, T.E, Gmeiner, W.H. 登録日 1997-03-31 公開日 1997-10-15 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Sequential assignment and secondary structure determination for the Src homology 2 domain of hematopoietic cellular kinase. FEBS Lett., 406, 1997
5IKX	Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from Lucilia cuprina 分子名称: Carboxylic ester hydrolase 著者 Jackson, C, Fraser, N. 登録日 2016-03-04 公開日 2016-06-22 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Evolution of Protein Quaternary Structure in Response to Selective Pressure for Increased Thermostability. J.Mol.Biol., 428, 2016
3NDA	Crystal structure of serpin from tick Ixodes ricinus 分子名称: PENTAETHYLENE GLYCOL, Serpin-2 著者 Rezacova, P, Kovarova, Z, Chmelar, J, Mares, M. 登録日 2010-06-07 公開日 2010-10-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A tick salivary protein targets cathepsin G and chymase and inhibits host inflammation and platelet aggregation. Blood, 117, 2011
6BPI	Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates 分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... 著者 MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) 登録日 2017-11-23 公開日 2017-12-27 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates to be published

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