4Y3L
 
 | | Endothiapepsin in complex with fragment 205 | | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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4Y5N
 | | Endothiapepsin in complex with fragment 337 | | 分子名称: | 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | | 著者 | Fu, K, Heine, A, Klebe, G. | | 登録日 | 2015-02-11 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y3Y
 | | Endothiapepsin in complex with fragment B42 | | 分子名称: | 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.346 Å) | | 主引用文献 | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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5UML
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4Y4B
 | | Endothiapepsin in complex with fragment 323 | | 分子名称: | 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline, ACETATE ION, Endothiapepsin, ... | | 著者 | Fu, K, Heine, A, Klebe, G. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.108 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y3E
 | | Endothiapepsin in complex with fragment 5 | | 分子名称: | 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y3Q
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4Y3J
 | | Endothiapepsin in complex with fragment B30 | | 分子名称: | 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2016-05-11 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y40
 | | Structure of Vaspin mutant D305C V383C | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | | 著者 | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | | 登録日 | 2015-02-10 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin).
Biochem.J., 470, 2015
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2PE5
 | | Crystal Structure of the Lac Repressor bound to ONPG in repressed state | | 分子名称: | 2-nitrophenyl beta-D-galactopyranoside, DNA (5'-D(*DAP*DAP*DTP*DTP*DGP*DTP*DGP*DAP*DGP*DCP*DGP*DCP*DTP*DCP*DAP*DCP*DAP*DAP*DTP*DT)-3'), Lactose operon repressor | | 著者 | Daber, R, Stayrook, S.E, Rosenberg, A, Lewis, M. | | 登録日 | 2007-04-02 | | 公開日 | 2008-03-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structural analysis of lac repressor bound to allosteric effectors
J.Mol.Biol., 370, 2007
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5V9T
 | | Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | | 分子名称: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | | 著者 | Kiefer, J.R, Liang, J, Vinogradova, M. | | 登録日 | 2017-03-23 | | 公開日 | 2017-05-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5UND
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5VC7
 | | VCP like ATPase from T. acidophilum (VAT) - conformation 1 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, VCP-like ATPase | | 著者 | Ripstein, Z.A, Huang, R, Augustyniak, R, Kay, L.E, Rubinstein, J.L. | | 登録日 | 2017-03-31 | | 公開日 | 2017-04-26 | | 最終更新日 | 2020-01-15 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structure of a AAA+ unfoldase in the process of unfolding substrate.
Elife, 6, 2017
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6CHL
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, 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 (2.2 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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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
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5UO8
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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4Y3D
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2P1J
 | | Crystal structure of a polC-type DNA polymerase III exonuclease domain from Thermotoga maritima | | 分子名称: | DNA polymerase III polC-type | | 著者 | Bonanno, J.B, Rutter, M, Bain, K.T, Izuka, M, Sridhar, V, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2007-03-05 | | 公開日 | 2007-03-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of a polC-type DNA polymerase III exonuclease domain from Thermotoga maritima
To be Published
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4YJL
 | | Crystal structure of APC-ARM in complexed with Amer1-A2 | | 分子名称: | 1,2-ETHANEDIOL, APC membrane recruitment protein 1, Adenomatous polyposis coli protein | | 著者 | Zhang, Z, Xiao, Y, Wu, G. | | 登録日 | 2015-03-03 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015
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6CKT
 | | Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1 | | 分子名称: | 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase | | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2018-02-28 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1
to be published
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4Y4Y
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2P4I
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5V37
 | | Crystal structure of SMYD3 with SAM and EPZ028862 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Boriack-Sjodin, P.A. | | 登録日 | 2017-03-06 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation.
Plos One, 13, 2018
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2P1U
 | | Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-ethoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 | | 分子名称: | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha | | 著者 | Bourguet, W, Nahoum, V. | | 登録日 | 2007-03-06 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4YWL
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