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

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3KIF	The crystal structures of two fragments truncated from 5-bladed beta-propeller lectin, tachylectin-2 (Lib1-B7-18 and Lib2-D2-15) 分子名称: 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, 5-bladed beta-propeller lectin, SULFATE ION 著者 Dym, O, Tawfik, D.S, Yadid, I, Israel Structural Proteomics Center (ISPC) 登録日 2009-11-02 公開日 2010-04-28 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Metamorphic proteins mediate evolutionary transitions of structure Proc.Natl.Acad.Sci.USA, 107, 2010
5Y5Z	V/A-type ATPase/synthase from Thermus thermophilus, rotational state 2 分子名称: ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... 著者 Nakanishi, A, Kishikawa, J, Tamakoshi, M, Mitsuoka, K, Yokoyama, K. 登録日 2017-08-10 公開日 2018-01-17 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (6.7 Å) 主引用文献 Cryo EM structure of intact rotary H+-ATPase/synthase from Thermus thermophilus Nat Commun, 9, 2018
8EM3	Carbonic Anhydrase II in complex with the diaryl urea molecule J2 分子名称: 4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Combs, J, McKenna, R. 登録日 2022-09-26 公開日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Prospective Diaryl urea: Prevent growth of breast cancer cells by inhibition and down-regulation of Carbonic Anhydrase IX. To Be Published
8IL1	Free Thanatin IM14 分子名称: Free IM14 著者 Swaleeha, A, Bhattacharyya, S. 登録日 2023-03-01 公開日 2024-03-06 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Free Thanatin IM14 To Be Published
4XT0	Crystal Structure of Beta-etherase LigF from Sphingobium sp. strain SYK-6 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTATHIONE, PENTAETHYLENE GLYCOL, ... 著者 Helmich, K.E, Bingman, C.A, Donohue, T.J, Phillips Jr, G.N. 登録日 2015-01-22 公開日 2016-02-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin. J.Biol.Chem., 291, 2016
5YQ7	Cryo-EM structure of the RC-LH core complex from Roseiflexus castenholzii 分子名称: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, BACTERIOCHLOROPHYLL A, ... 著者 Shi, Y, Xin, Y.Y, Niu, T.X, Wang, Q.Q, Niu, W.Q, Huang, X.J, Ding, W, Blankenship, R.E, Xu, X.L, Sun, F. 登録日 2017-11-05 公開日 2018-05-02 実験手法 ELECTRON MICROSCOPY (4.1 Å) 主引用文献 Cryo-EM structure of the RC-LH core complex from an early branching photosynthetic prokaryote. Nat Commun, 9, 2018
6Q7A	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2018-12-13 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
3LHJ	Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor. 分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide 著者 Mohr, C, Jordan, S. 登録日 2010-01-22 公開日 2010-04-14 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.31 Å) 主引用文献 Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase. J.Med.Chem., 53, 2010
4YA6	Crystal structure of LigO-apo form from Sphingobium sp. strain SYK-6 分子名称: C alpha-dehydrogenase 著者 Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. 登録日 2015-02-17 公開日 2016-03-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
4Y9D	Crystal structure of LigD in complex with NADH from Sphingobium sp. strain SYK-6 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C alpha-dehydrogenase 著者 Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. 登録日 2015-02-17 公開日 2016-03-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.012 Å) 主引用文献 Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
6Q6O	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate 著者 Kallen, J. 登録日 2018-12-11 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6Q7H	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2018-12-13 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
5VQE	Beta-glucoside phosphorylase BglX bound to 2FGlc 分子名称: 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucoside phosphorylase BglX 著者 Patel, A, Mark, B.L. 登録日 2017-05-08 公開日 2018-01-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.889 Å) 主引用文献 Structural and mechanistic analysis of a beta-glycoside phosphorylase identified by screening a metagenomic library. J. Biol. Chem., 293, 2018
1XAG	CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE 分子名称: 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. 登録日 2004-08-25 公開日 2005-03-01 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
6JVV	Crystal structure of maleylpyruvate hydrolase from Sphingobium.sp SYK-6 分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... 著者 Hong, H, Kim, K.-J. 登録日 2019-04-17 公開日 2019-05-29 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Structural insights into a maleylpyruvate hydrolase from sphingobium sp. SYK-6, a bacterium degrading lignin-derived aryls. Biochem.Biophys.Res.Commun., 514, 2019
1XAL	CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE (SOAK) 分子名称: 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ... 著者 Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. 登録日 2004-08-26 公開日 2005-03-01 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
3Q2M	Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, Protein Kinase Inhibitor CKI-7 Complex 分子名称: N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, NICKEL (II) ION, Spectinomycin phosphotransferase 著者 Berghuis, A.M, Fong, D.H, Xiong, B, Hwang, J. 登録日 2010-12-20 公開日 2011-05-18 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal structures of two aminoglycoside kinases bound with a eukaryotic protein kinase inhibitor. Plos One, 6, 2011
4ZI3	BART-like domain of BARTL1/CCDC104 aa1-133 in complex with Arl3FL bound to GppNHp in P1 21 1 分子名称: ADP-ribosylation factor-like protein 3, Cilia- and flagella-associated protein 36, MAGNESIUM ION, ... 著者 Lokaj, M, Koerner, C, Koesling, S, Wittinghofer, A. 登録日 2015-04-27 公開日 2016-03-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Interaction of CCDC104/BARTL1 with Arl3 and Implications for Ciliary Function. Structure, 23, 2015
6Q6M	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate 著者 Kallen, J. 登録日 2018-12-11 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6JVW	Crystal structure of maleylpyruvate hydrolase from Sphingobium sp. SYK-6 in complex with manganese (II) ion and pyruvate 分子名称: GLYCEROL, MANGANESE (II) ION, PYRUVIC ACID, ... 著者 Hong, H, Kim, K.-J. 登録日 2019-04-17 公開日 2019-05-29 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural insights into a maleylpyruvate hydrolase from sphingobium sp. SYK-6, a bacterium degrading lignin-derived aryls. Biochem.Biophys.Res.Commun., 514, 2019
1XAH	CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+ AND NAD+ 分子名称: 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION 著者 Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. 登録日 2004-08-25 公開日 2005-03-01 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
5FTH	Crystal structure of the GluA2 K738M-T744K LBD in complex with glutamate (zinc form) 分子名称: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ZINC ION 著者 Nayeem, N, Green, T. 登録日 2016-01-13 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Distinct Structural Pathways Coordinate the Activation of Ampa Receptor-Auxiliary Subunit Complexes. Neuron, 89, 2016
5FPO	Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site. 分子名称: 1H-indazol-7-amine, DNA LIGASE 著者 Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. 登録日 2015-12-02 公開日 2015-12-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
1XAJ	CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE 分子名称: 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ... 著者 Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. 登録日 2004-08-25 公開日 2005-03-01 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
5FPD	Structure of heat shock-related 70kDA protein 2 with small-molecule ligand pyrazine-2-carboxamide (AT513) in an alternate binding site. 分子名称: HEAT SHOCK-RELATED 70KDA PROTEIN 2, PYRAZINE-2-CARBOXAMIDE 著者 Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. 登録日 2015-11-28 公開日 2015-12-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015

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