PDB: 55616 件ウェブページステータス検索Chemie searchBIRD

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5FKM	TetR(D) T103A mutant in complex with anhydrotetracycline and magnesium, I4(1)22 分子名称: 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... 著者 Werten, S, Schneider, J, Palm, G.J, Hinrichs, W. 登録日 2015-10-17 公開日 2016-04-06 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor FEBS J., 283, 2016
5FKO	TetR(D) E147A mutant in complex with anhydrotetracycline and magnesium 分子名称: 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... 著者 Werten, S, Schneider, J, Palm, G.J, Hinrichs, W. 登録日 2015-10-17 公開日 2016-04-06 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor FEBS J., 283, 2016
6SJR	Methyltransferase of the MtgA N227A mutant from Desulfitobacterium hafniense in complex with tetrahydrofolate 分子名称: GLYCEROL, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Tetrahydromethanopterin S-methyltransferase 著者 Badmann, T, Groll, M. 登録日 2019-08-13 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution. Chembiochem, 21, 2020
6SK4	Methyltransferase MtgA from Desulfitobacterium hafniense in complex with methyl-tetrahydrofolate (P21) 分子名称: GLYCEROL, Methylcorrinoid:tetrahydrofolate methyltransferase, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID 著者 Badmann, T, Groll, M. 登録日 2019-08-14 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution. Chembiochem, 21, 2020
6SJS	Methyltransferase of the MtgA N227A mutant from Desulfitobacterium hafniense in complex with methyl-tetrahydrofolate 分子名称: GLYCEROL, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, SODIUM ION, ... 著者 Badmann, T, Groll, M. 登録日 2019-08-13 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution. Chembiochem, 21, 2020
5FKK	TetR(D) N82A mutant in complex with anhydrotetracycline and magnesium 分子名称: 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... 著者 Werten, S, Schneider, J, Palm, G.J, Hinrichs, W. 登録日 2015-10-17 公開日 2016-04-06 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor FEBS J., 283, 2016
6YR2	TetR(D) soaked with Tigecycline P4(1)2(1)2 分子名称: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ... 著者 Hinrichs, W, Stary, K. 登録日 2020-04-19 公開日 2021-04-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 TetR(D) soaked with Tigecycline to be published
3HMY	Crystal structure of HCR/T complexed with GT2 分子名称: GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, SULFATE ION, ... 著者 Chen, C, Fu, Z, Kim, J.-J.P, Barbieri, J.T, Baldwin, M.R. 登録日 2009-05-29 公開日 2009-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Gangliosides as high affinity receptors for tetanus neurotoxin. J.Biol.Chem., 284, 2009
3HN1	Crystal structure of HCR/T complexed with GT2 and lactose 分子名称: N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, SULFATE ION, Tetanus toxin, ... 著者 Chen, C, Fu, Z, Kim, J.-J.P, Barbieri, J.T, Baldwin, M.R. 登録日 2009-05-29 公開日 2009-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Gangliosides as high affinity receptors for tetanus neurotoxin. J.Biol.Chem., 284, 2009
6P3O	Tetrahydroprotoberberine N-methyltransferase in complex with (S)-cis-N-methylstylopine and S-adenosylhomocysteine 分子名称: (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium, S-ADENOSYL-L-HOMOCYSTEINE, Tetrahydroprotoberberine N-methyltransferase 著者 Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S. 登録日 2019-05-24 公開日 2019-08-14 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-function studies of tetrahydroprotoberberineN-methyltransferase reveal the molecular basis of stereoselective substrate recognition. J.Biol.Chem., 294, 2019
1A8D	TETANUS TOXIN C FRAGMENT 分子名称: GOLD ION, TETANUS NEUROTOXIN 著者 Knapp, M, Rupp, B. 登録日 1998-03-23 公開日 1998-10-14 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 The 1.61 Angstrom Structure of the Tetanus Toxin Ganglioside Binding Region: Solved by MAD and Mir Phase Combination Am.Cryst.Assoc.,Abstr.Papers (Annual Meeting), 25, 1998
6ECP	The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY249543 分子名称: Methylenetetrahydrofolate dehydrogenase cyclohydrolase, N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Bueno, R.V, Dawson, A, Hunter, W.N. 登録日 2018-08-08 公開日 2019-03-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement. Acta Crystallogr F Struct Biol Commun, 75, 2019
6N2K	Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C 分子名称: 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Vigers, G.P. 登録日 2018-11-13 公開日 2018-12-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity. ACS Med Chem Lett, 9, 2018
4GVS	X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with N5-formyl-tetrahydromethanopterin 分子名称: 1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, Methenyltetrahydromethanopterin cyclohydrolase 著者 Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. 登録日 2012-08-31 公開日 2012-10-31 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase. Biochemistry, 51, 2012
6G1U	Crystal structure of Torpedo Californica acetylcholinesterase in complex with 9-Amino-6-chloro-1,2,3,4-tetrahydro-10-methylacridin-10-ium 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine, Acetylcholinesterase, ... 著者 Coquelle, N, Colletier, J.P. 登録日 2018-03-22 公開日 2018-04-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis. Molecules, 23, 2018
4QPD	Crystal structure of the hydrolase domain of 10-formyltetrahydrofolate dehydrogenase (wild-type) complex with tetrahydrofolate 分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, 10-formyltetrahydrofolate dehydrogenase, DI(HYDROXYETHYL)ETHER 著者 Lin, C.C, Chen, C.J, Fu, T.F, Chuankhayan, P, Kao, T.T, Chang, W.N. 登録日 2014-06-23 公開日 2015-04-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures of the hydrolase domain of zebrafish 10-formyltetrahydrofolate dehydrogenase and its complexes reveal a complete set of key residues for hydrolysis and product inhibition. Acta Crystallogr.,Sect.D, 71, 2015
6CHN	Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate 分子名称: DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ... 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-22 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
6N2J	Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C 分子名称: 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Vigers, G.P. 登録日 2018-11-13 公開日 2018-12-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity. ACS Med Chem Lett, 9, 2018
8R2C	Crystal structure of the Vint domain from Tetrahymena thermophila 分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, von willebrand factor type A (VWA) domain was originally protein 著者 Iwai, H, Beyer, H.M, Johannson, J.E, Li, M, Wlodawer, A. 登録日 2023-11-03 公開日 2024-02-28 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The three-dimensional structure of the Vint domain from Tetrahymena thermophila suggests a ligand-regulated cleavage mechanism by the HINT fold. Febs Lett., 598, 2024
6CHO	Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one 分子名称: 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-22 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
6CKW	Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile 分子名称: (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... 著者 Mamo, M, Appleton, B.A. 登録日 2018-03-01 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
6CHQ	Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 分子名称: 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-22 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
6G1V	Crystal structure of Torpedo Californica acetylcholinesterase in complex with 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium 分子名称: 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... 著者 Coquelle, N, Colletier, J.P. 登録日 2018-03-22 公開日 2018-04-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis. Molecules, 23, 2018
5T92	ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid 分子名称: (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor 著者 Kirby, C, Baird, J. 登録日 2016-09-09 公開日 2017-03-29 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer. J. Med. Chem., 60, 2017
5T97	ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid 分子名称: (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor 著者 Kirby, C.A, Baird, J. 登録日 2016-09-09 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer. J. Med. Chem., 60, 2017

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