4U6Z
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4TXS
| An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | 分子名称: | (4-hydroxyphenyl)acetonitrile, Polyprotein | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | 登録日 | 2014-07-07 | 公開日 | 2015-05-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline Sci Rep, 5, 2015
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7D6T
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2BZS
| Binding of anti-cancer prodrug CB1954 to the activating enzyme NQO2 revealed by the crystal structure of their complex. | 分子名称: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH DEHYDROGENASE [QUINONE] 2, ... | 著者 | Abu Khader, M.M, Heap, J.T, De Matteis, C, Kellam, B, Doughty, S.W, Minton, N, Paoli, M. | 登録日 | 2005-08-22 | 公開日 | 2005-09-23 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Binding of the Anticancer Prodrug Cb1954 to the Activating Enzyme Nqo2 Revealed by the Crystal Structure of Their Complex. J.Med.Chem., 48, 2005
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4TY8
| An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | 分子名称: | 6-methyl-2H-chromen-2-one, Polyprotein | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | 登録日 | 2014-07-08 | 公開日 | 2015-05-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline Sci Rep, 5, 2015
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7D36
| Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | 著者 | Nakahara, K, Mitsuoka, Y, Kasuya, S, Yamamoto, T, Yamamoto, S, Ito, H, Kido, Y, Kusakabe, K.I. | 登録日 | 2020-09-18 | 公開日 | 2021-07-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction. Eur.J.Med.Chem., 216, 2021
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7M2N
| Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | 登録日 | 2021-03-17 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
| Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | 分子名称: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | 登録日 | 2021-03-17 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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4U6J
| HsMetAP in complex with methionine | 分子名称: | COBALT (II) ION, GLYCEROL, METHIONINE, ... | 著者 | Arya, T, Addlagatta, A. | 登録日 | 2014-07-29 | 公開日 | 2015-03-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U69
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4U6T
| Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a at 1.76 Angstrom resolution | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ColH protein | 著者 | Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E. | 登録日 | 2014-07-29 | 公開日 | 2015-03-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH. Acta Crystallogr.,Sect.D, 71, 2015
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4U70
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4U76
| HsMetAP (F309M) holo form | 分子名称: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | 著者 | Arya, T, Addlagatta, A. | 登録日 | 2014-07-30 | 公開日 | 2015-03-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4UAI
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4U73
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4U7K
| Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a in the presence of calcium at 1.9 Angstrom resolution | 分子名称: | CALCIUM ION, ColH protein | 著者 | Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E. | 登録日 | 2014-07-31 | 公開日 | 2015-03-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH. Acta Crystallogr.,Sect.D, 71, 2015
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4UBQ
| Crystal Structure of IMP-2 Metallo-beta-Lactamase from Acinetobacter spp. | 分子名称: | ACETATE ION, Beta-lactamase, ZINC ION | 著者 | Yamaguchi, Y, Matsueda, S, Matsunaga, K, Takashio, N, Toma-Fukai, S, Yamagata, Y, Shibata, N, Wachino, J, Shibayama, K, Arakawa, Y, Kurosaki, H. | 登録日 | 2014-08-13 | 公開日 | 2014-12-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of IMP-2 metallo-beta-lactamase from Acinetobacter spp.: comparison of active-site loop structures between IMP-1 and IMP-2. Biol.Pharm.Bull., 38, 2015
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7BFL
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7BFK
| X-ray structure of SS-RNase-2 | 分子名称: | Angiogenin-1 | 著者 | Sica, F, Russo Krauss, I, Troisi, R. | 登録日 | 2021-01-04 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition. Int.J.Biol.Macromol., 182, 2021
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4LHI
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4U6C
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4V5X
| The cryo-EM structure of a 3D DNA-origami object | 分子名称: | SCAFFOLD STRAND,SCAFFOLD STRAND, STAPLE STRAND | 著者 | Bai, X.C, Martin, T.G, Scheres, S.H.W, Dietz, H. | 登録日 | 2012-10-09 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (11.5 Å) | 主引用文献 | Cryo-Em Structure of a 3D DNA-Origami Object. Proc.Natl.Acad.Sci.USA, 109, 2012
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7NC7
| Crystal structure of fructose-bisphosphate aldolases FBAC from Bacillus methanolicus | 分子名称: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase | 著者 | Einsle, O, Zhang, L, Guetle, D, Jacquot, J.P. | 登録日 | 2021-01-28 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Interrogating the Role of the Two Distinct Fructose-Bisphosphate Aldolases of Bacillus methanolicus by Site-Directed Mutagenesis of Key Amino Acids and Gene Repression by CRISPR Interference Front Microbiol, 12, 2021
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7ECC
| M4 family peptidase PlM4P-mature form | 分子名称: | CALCIUM ION, M4 family peptidase, PHOSPHATE ION, ... | 著者 | Yang, J. | 登録日 | 2021-03-12 | 公開日 | 2021-04-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | M4 family peptidase PlM4P-mature form To Be Published
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2W3L
| Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex | 分子名称: | 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide, APOPTOSIS REGULATOR BCL-2 | 著者 | Porter, J, Payne, A, de Candole, B, Ford, D, Hutchinson, B, Trevitt, G, Turner, J, Edwards, C, Watkins, C, Whitcombe, I, Davis, J, Stubberfield, C, Fisher, M, Lamers, M. | 登録日 | 2008-11-13 | 公開日 | 2008-12-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Tetrahydroisoquinoline Amide Substituted Phenyl Pyrazoles as Selective Bcl-2 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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