3KEJ
 
 | | Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound | | 分子名称: | 4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | | 著者 | Shieh, H.-S, Collins, B, Schnute, M.E. | | 登録日 | 2009-10-26 | | 公開日 | 2010-11-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010
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7BF9
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5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | 分子名称: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | 登録日 | 2015-06-03 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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3KL6
 | | Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one, CALCIUM ION, ... | | 著者 | Aertgeerts, K. | | 登録日 | 2009-11-06 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor.
J.Med.Chem., 53, 2010
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5BUI
 | | ERK2 complexed with 2-pyridiyl tetrahydroazaindazole | | 分子名称: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION | | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | 登録日 | 2015-06-03 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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4LVX
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3NBA
 | | Phosphopantetheine Adenylyltranferase from Mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (AMPCPP) | | 分子名称: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, Phosphopantetheine adenylyltransferase | | 著者 | Wubben, T.J, Mesecar, A.D. | | 登録日 | 2010-06-03 | | 公開日 | 2010-09-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis.
J.Mol.Biol., 404, 2010
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3K3B
 | | Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline | | 分子名称: | 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Bussiere, D.E, Bellamacina, C, Le, V. | | 登録日 | 2009-10-02 | | 公開日 | 2009-12-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5.
Bioorg.Med.Chem.Lett., 20, 2010
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2O0U
 | | Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide | | 分子名称: | Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE | | 著者 | Rowland, P, Somers, D. | | 登録日 | 2006-11-28 | | 公開日 | 2007-02-27 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
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7CQY
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3L1B
 | | Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound | | 分子名称: | 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Farnesoid X receptor | | 著者 | Xu, W, Lundquist, J.T. | | 登録日 | 2009-12-11 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates.
J.Med.Chem., 53, 2010
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4O6E
 | | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | | 分子名称: | Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | | 著者 | Yin, J, Wang, W. | | 登録日 | 2013-12-20 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
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3PNB
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7ZC6
 | | Na+ - translocating ferredoxin: NAD+ reductase (Rnf) of C. tetanomorphum | | 分子名称: | FE (III) ION, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | 著者 | Ermler, U, Vitt, S, Buckel, W. | | 登録日 | 2022-03-25 | | 公開日 | 2022-09-28 | | 最終更新日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (4.27 Å) | | 主引用文献 | Purification and structural characterization of the Na + -translocating ferredoxin: NAD + reductase (Rnf) complex of Clostridium tetanomorphum.
Nat Commun, 13, 2022
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5DFM
 | | Structure of Tetrahymena telomerase p19 fused to MBP | | 分子名称: | GLYCEROL, Maltose-binding periplasmic protein,Telomerase-associated protein 19, SULFATE ION, ... | | 著者 | Chan, H, Cascio, D, Sawaya, M.R, Feigon, J. | | 登録日 | 2015-08-27 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | | 主引用文献 | Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
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7BCZ
 | | Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa | | 分子名称: | 4'-phosphopantetheinyl transferase EntD, COENZYME A, MAGNESIUM ION, ... | | 著者 | Carivenc, C, Mourey, L, Pedelacq, J.D. | | 登録日 | 2020-12-21 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
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4GVR
 | | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase | | 分子名称: | 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 (1.52 Å) | | 主引用文献 | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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3RIK
 | | The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease | | 分子名称: | (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ... | | 著者 | Orwig, S.D, Lieberman, R.L. | | 登録日 | 2011-04-13 | | 公開日 | 2012-03-14 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Biochemistry, 50, 2011
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3RIL
 | | The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease | | 分子名称: | (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ... | | 著者 | Orwig, S.D, Lieberman, R.L. | | 登録日 | 2011-04-13 | | 公開日 | 2012-03-14 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Biochemistry, 50, 2011
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5AZQ
 | | Crystal structure of cyano-cobalt(III) tetradehydrocorrin in the heme pocket of horse heart myoglobin | | 分子名称: | (1R,19R) cobalt tetradehydrocorrin, (1S,19S) cobalt tetradehydrocorrin, CYANIDE ION, ... | | 著者 | Mizohata, E, Morita, Y, Oohora, K, Inoue, T, Hayashi, T. | | 登録日 | 2015-10-21 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin
Inorg.Chem., 55, 2016
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5AZR
 | | Crystal structure of aqua-cobalt(III) tetradehydrocorrin in the heme pocket of horse heart myoglobin | | 分子名称: | (1R,19R) cobalt tetradehydrocorrin, (1S,19S) cobalt tetradehydrocorrin, GLYCEROL, ... | | 著者 | Mizohata, E, Morita, Y, Oohora, K, Inoue, T, Hayashi, T. | | 登録日 | 2015-10-21 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin
Inorg.Chem., 55, 2016
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3Q96
 | | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | | 分子名称: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | | 著者 | Sintchak, M.D, Aertgeerts, K, Yano, J. | | 登録日 | 2011-01-07 | | 公開日 | 2011-03-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
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3AJM
 | | Crystal structure of programmed cell death 10 in complex with inositol 1,3,4,5-tetrakisphosphate | | 分子名称: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Programmed cell death protein 10 | | 著者 | Ding, J, Wang, D.C. | | 登録日 | 2010-06-09 | | 公開日 | 2010-06-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of human programmed cell death 10 complexed with inositol-(1,3,4,5)-tetrakisphosphate: a novel adaptor protein involved in human cerebral cavernous malformation.
Biochem.Biophys.Res.Commun., 399, 2010
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4A69
 | | Structure of HDAC3 bound to corepressor and inositol tetraphosphate | | 分子名称: | ACETATE ION, D-MYO INOSITOL 1,4,5,6 TETRAKISPHOSPHATE, GLYCEROL, ... | | 著者 | Watson, P.J, Fairall, L, Santos, G.M, Schwabe, J.W.R. | | 登録日 | 2011-11-01 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structure of Hdac3 Bound to Co-Repressor and Inositol Tetraphosphate.
Nature, 481, 2012
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4L7J
 | | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1) | | 分子名称: | 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1 | | 著者 | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | | 登録日 | 2013-06-13 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
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