1JUG
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3B7M
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2K1I
| Synthesis, Structure and Activities of an Oral Mucosal Alpha-Defensin from Rhesus Macaque | 分子名称: | Mucosal Alpha-Defensin | 著者 | Vasudevan, S.V, Yuan, J, Osapay, G, Tran, P, Tai, K, Selsted, M, Cocco, M.J. | 登録日 | 2008-03-05 | 公開日 | 2008-10-28 | 最終更新日 | 2018-01-24 | 実験手法 | SOLUTION NMR | 主引用文献 | Synthesis, structure, and activities of an oral mucosal alpha-defensin from rhesus macaque. J.Biol.Chem., 283, 2008
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3S2V
| Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution | 分子名称: | (S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE, CHLORIDE ION, GLYCEROL, ... | 著者 | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | 登録日 | 2011-05-17 | 公開日 | 2011-06-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization. J.Med.Chem., 54, 2011
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7LLB
| Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed meropenem | 分子名称: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | 登録日 | 2021-02-03 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LLH
| KPC-2 F72Y mutant with acylated imipenem | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | 登録日 | 2021-02-03 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LJK
| Crystal structure of the deacylation deficient KPC-2 F72Y mutant | 分子名称: | Beta-lactamase | 著者 | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | 登録日 | 2021-01-29 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7KIT
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7KIS
| Crystal structure of Pseudomonas aeruginosa PBP2 in complex with WCK 5153 | 分子名称: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Peptidoglycan D,D-transpeptidase MrdA | 著者 | Rajavel, M, van den Akker, F. | 登録日 | 2020-10-24 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.869 Å) | 主引用文献 | Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. Mbio, 12, 2021
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7KIV
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1BZM
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5Z3S
| Crystal structure of butanol modified signaling protein from buffalo (SPB-40) at 1.65 A resolution | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-BUTANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Singh, P.K, Chaudhary, A, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2018-01-08 | 公開日 | 2018-02-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies. Arch. Biochem. Biophys., 644, 2018
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1AZM
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5Z05
| Crystal structure of signalling protein from buffalo (SPB-40) with an acetone induced conformation of Trp78 at 1.49 A resolution | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETONE, ... | 著者 | Singh, P.K, Chaudhary, A, Tyagi, T.K, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2017-12-18 | 公開日 | 2018-01-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies Arch. Biochem. Biophys., 644, 2018
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5Z4W
| Crystal structure of signalling protein from buffalo (SPB-40) with an altered conformation of Trp78 at 1.79 A resolution | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, ... | 著者 | Singh, P.K, Chaudhary, A, Tyagi, T.K, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2018-01-15 | 公開日 | 2018-02-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies. Arch. Biochem. Biophys., 644, 2018
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1CZM
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2PTT
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2PTU
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2PTV
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2PNC
| Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine | 分子名称: | 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Cendron, L, Holt, A, Smith, D.J, Zanotti, G, Rigo, A, Di Paolo, M.L. | 登録日 | 2007-04-24 | 公開日 | 2008-02-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Multiple binding sites for substrates and modulators of semicarbazide-sensitive amine oxidases: kinetic consequences Mol.Pharmacol., 73, 2008
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5KCH
| SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density | 分子名称: | 4-methoxy-N-[(pyridin-2-yl)methyl]aniline, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, ... | 著者 | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-06 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy To Be Published
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5KCO
| SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy | 分子名称: | DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | 著者 | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-06 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy To Be Published
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7UFV
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | 分子名称: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | 著者 | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2022-03-23 | 公開日 | 2022-05-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Nanomolar DCAF1 Small Molecule Ligands. J.Med.Chem., 66, 2023
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5ARG
| SMYD2 in complex with SGC probe BAY-598 | 分子名称: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | 著者 | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | 登録日 | 2015-09-24 | 公開日 | 2016-04-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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5ARF
| SMYD2 in complex with small molecule inhibitor compound-2 | 分子名称: | N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ... | 著者 | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | 登録日 | 2015-09-24 | 公開日 | 2016-04-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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