PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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2Q6C	Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors 分子名称: (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION 著者 Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. 登録日 2007-06-04 公開日 2007-07-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
8PYA	Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 4s O2 exposure 分子名称: (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ... 著者 Rabe, P, Schofield, C.J. 登録日 2023-07-25 公開日 2024-08-07 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 4s O2 exposure To Be Published
2POQ	Dimeric Dihydrodiol Dehydrogenase complexed with inhibitor, Isoascorbic acid 分子名称: BETA-MERCAPTOETHANOL, Dimeric dihydrodiol dehydrogenase, ISOASCORBIC ACID, ... 著者 Carbone, V, El-Kabbani, O. 登録日 2007-04-27 公開日 2007-07-31 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Structure of monkey dimeric dihydrodiol dehydrogenase in complex with isoascorbic acid. Acta Crystallogr.,Sect.D, 64, 2008
8PY8	Isopenicillin N synthase in complex with Fe, ACdV and O2 after 2s O2 exposure 分子名称: (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ... 著者 Rabe, P, Schofield, C.J. 登録日 2023-07-25 公開日 2024-08-07 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Isopenicillin N synthase in complex with Fe, ACdV and O2 after 2s O2 exposure To Be Published
3VOS	Crystal structure of Aspartate semialdehyde dehydrogenase Complexed With glycerol and sulfate From Mycobacterium tuberculosis H37Rv 分子名称: Aspartate-semialdehyde dehydrogenase, GLYCEROL, SULFATE ION 著者 Vyas, R, Tewari, R, Weiss, M.S, Karthikeyan, S. 登録日 2012-02-07 公開日 2012-05-30 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Structures of ternary complexes of aspartate-semialdehyde dehydrogenase (Rv3708c) from Mycobacterium tuberculosis H37Rv Acta Crystallogr.,Sect.D, 68, 2012
8PY9	Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 3s O2 exposure 分子名称: (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ... 著者 Rabe, P, Schofield, C.J. 登録日 2023-07-25 公開日 2024-08-07 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 3s O2 exposure To Be Published
6CG6	mouse cadherin-10 EC1-2 adhesive fragment 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cadherin-10, ... 著者 Brasch, J, Harrison, O.J, Shapiro, L. 登録日 2018-02-19 公開日 2018-05-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.707 Å) 主引用文献 Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior. Cell Rep, 23, 2018
9HKP	Protein kinase CK2 with small molecule ligands 分子名称: Casein kinase II subunit alpha, SULFATE ION, [1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate 著者 Krimm, I, Gelin, M, Guichou, J.F. 登録日 2024-12-03 公開日 2025-07-30 実験手法 X-RAY DIFFRACTION (2.82 Å) 主引用文献 Binding-Site Switch for Protein Kinase CK2 Inhibitors. Chemmedchem, 20, 2025
2FR8	Structure of transhydrogenase (dI.R127A.NAD+)2(dIII.NADP+)1 asymmetric complex 分子名称: NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Brondijk, T.H, van Boxel, G.I, Mather, O.C, Quirk, P.G, White, S.A, Jackson, J.B. 登録日 2006-01-19 公開日 2006-02-28 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The Role of Invariant Amino Acid Residues at the Hydride Transfer Site of Proton-translocating Transhydrogenase. J.Biol.Chem., 281, 2006
8YU9	Tubulin-RB3-TTL in complex with compound SI10 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one, CALCIUM ION, ... 著者 Wu, C.Y, Wang, Y.X. 登録日 2024-03-27 公開日 2024-06-05 最終更新日 2025-02-19 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Discovery and mechanistic insights into thieno[3,2-d]pyrimidine and heterocyclic fused pyrimidines inhibitors targeting tubulin for cancer therapy. Eur.J.Med.Chem., 276, 2024
6D3W	Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa 分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... 著者 Hofmann, A, Cross, M, Park, S.-Y. 登録日 2018-04-17 公開日 2018-05-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Trehalose 6-phosphate phosphatases of Pseudomonas aeruginosa. FASEB J., 32, 2018
168D	STABILIZING EFFECTS OF THE RNA 2'-SUBSTITUENT: CRYSTAL STRUCTURE OF AN OLIGODEOXYNUCLEOTIDE DUPLEX CONTAINING 2'-O-METHYLATED ADENOSINES 分子名称: DNA/RNA (5'-D(*GP*CP*GP*TP*)-R(*(A2M)P*)-D(*TP*AP*CP*GP*C)-3') 著者 Lubini, P, Zuercher, W, Egli, M. 登録日 1994-04-08 公開日 1994-08-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Stabilizing effects of the RNA 2'-substituent: crystal structure of an oligodeoxynucleotide duplex containing 2'-O-methylated adenosines. Chem.Biol., 1, 1994
9I11	Human protein kinase CK2 alpha in complex with TN16 分子名称: (2~{Z},5~{Z})-2-(3-hydroxyphenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... 著者 Dalle Vedove, A, Cazzanelli, G, Lolli, G. 登録日 2025-01-15 公開日 2025-02-26 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma To Be Published
8X6Q	Crystal structure of OsHSL1 L204F/F298L/I335F complexed with 2-acetyl-cyclohexane-2,4-dione 分子名称: 2-OXOGLUTARIC ACID, 2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one, COBALT (II) ION, ... 著者 Lin, H.-Y, Dong, J, Yang, G.-F. 登録日 2023-11-21 公開日 2024-10-02 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 An artificially evolved gene for herbicide-resistant rice breeding. Proc.Natl.Acad.Sci.USA, 121, 2024
8X74	Crystal structure of ZmHSL1A complexed with mesotrione 分子名称: 2-OXOGLUTARIC ACID, 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione, 2-oxoglutarate (2OG) and Fe(II)-dependent oxygenase superfamily protein, ... 著者 Lin, H.-Y, Dong, J, Yang, G.-F. 登録日 2023-11-22 公開日 2024-10-02 実験手法 X-RAY DIFFRACTION (1.791 Å) 主引用文献 An artificially evolved gene for herbicide-resistant rice breeding. Proc.Natl.Acad.Sci.USA, 121, 2024
8BXL	Patulin Synthase from Penicillium expansum 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... 著者 Tjallinks, G, Boverio, A, Rozeboom, H.J, Fraaije, M.W. 登録日 2022-12-09 公開日 2023-09-06 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure elucidation and characterization of patulin synthase, insights into the formation of a fungal mycotoxin. Febs J., 290, 2023
9IML	Sertraline enhances the deubiquitinase activity of USP7 by binding to its switching loop region 分子名称: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 7 著者 Shi, L, Xu, Z, Chen, X, Xiong, B, Zhang, N. 登録日 2024-07-03 公開日 2025-03-12 最終更新日 2025-03-26 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Sertraline and Astemizole Enhance the Deubiquitinase Activity of USP7 by Binding to Its Switching Loop Region. J.Med.Chem., 68, 2025
6UUV	Crystal structure of a high molecular weight 3-oxoacyl-ACP reductase (FabG) from Acinetobacter baumannii crystal form 1 分子名称: 3-ketoacyl-ACP reductase 著者 Cross, E.M, Forwood, J.K. 登録日 2019-11-01 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases. Sci Rep, 11, 2021
3VEC	Rhodococcus jostii RHA1 DypB D153A variant in complex with heme 分子名称: CHLORIDE ION, DypB, GLYCEROL, ... 著者 Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. 登録日 2012-01-07 公開日 2012-01-18 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity. J.Biol.Chem., 287, 2012
3VL4	3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 410 MPa 分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CALCIUM ION, ... 著者 Nagae, T, Watanabe, N. 登録日 2011-11-29 公開日 2012-02-29 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase Acta Crystallogr.,Sect.D, 68, 2012
8XG4	X-ray crystal structure of streptavidin flash-cooled in 30% glycerol at ambient pressure 分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Higashiura, A, Yamamoto, A, Sugiyama, S. 登録日 2023-12-15 公開日 2024-12-18 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Binding competition between substrates and cryoprotectants in protein crystals directly observed by a hybrid method of in-gel crystallization and high-pressure cryo-cooling in X-ray crystallography To Be Published
7VZE	Crystal structure of PTPN4 PDZ bound to the PBM of HPV16 E6 分子名称: Tyrosine-protein phosphatase non-receptor type 4, the PDZ-binding motif of HPV16 E6 著者 Lee, H.S, Yun, H.-Y, Ku, B. 登録日 2021-11-16 公開日 2022-03-02 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.882 Å) 主引用文献 Structural and biochemical analysis of the PTPN4 PDZ domain bound to the C-terminal tail of the human papillomavirus E6 oncoprotein. J.Microbiol, 60, 2022
6CMK	Crystal structure of Citrobacter koseri AztD 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AztD protein, ... 著者 Yukl, E.T. 登録日 2018-03-05 公開日 2019-03-13 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.732 Å) 主引用文献 Crystal structures of AztD provide mechanistic insights into direct zinc transfer between proteins. Commun Biol, 2, 2019
6COA	1.2 A Structure of Thaumatin Crystallized in Gel 分子名称: L(+)-TARTARIC ACID, Thaumatin-1 著者 Sauter, C, Lorber, B, Shabalin, I.G, Porebski, P.J, Brzezinski, D, Giege, R. 登録日 2018-03-12 公開日 2018-03-28 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Towards atomic resolution with crystals grown in gel: the case of thaumatin seen at room temperature. Proteins, 48, 2002
3VL7	3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 650 MPa 分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CALCIUM ION, ... 著者 Nagae, T, Watanabe, N. 登録日 2011-11-29 公開日 2012-02-29 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase Acta Crystallogr.,Sect.D, 68, 2012

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