4H3G
 
 | | Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile | | 分子名称: | 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | 著者 | Strickland, C, Mandal, M. | | 登録日 | 2012-09-13 | | 公開日 | 2012-11-07 | | 最終更新日 | 2012-11-21 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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3OX1
 | | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, N-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | 著者 | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | | 登録日 | 2010-09-21 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
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6OJQ
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4L45
 | | Crystal structures of human p70S6K1-T389E | | 分子名称: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein | | 著者 | Wang, J, Zhong, C, Ding, J. | | 登録日 | 2013-06-07 | | 公開日 | 2013-07-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
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3G17
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4GSK
 | | Crystal structure of an Atg7-Atg10 crosslinked complex | | 分子名称: | Ubiquitin-like modifier-activating enzyme ATG7, Ubiquitin-like-conjugating enzyme ATG10, ZINC ION | | 著者 | Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A. | | 登録日 | 2012-08-27 | | 公開日 | 2012-11-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures.
Nat.Struct.Mol.Biol., 19, 2012
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3G59
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3OZ7
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3G6K
 | | Crystal Structure of Candida glabrata FMN Adenylyltransferase in complex with FAD and Inorganic Pyrophosphate | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, FMN adenylyltransferase, MAGNESIUM ION, ... | | 著者 | Huerta, C, Machius, M, Zhang, H. | | 登録日 | 2009-02-06 | | 公開日 | 2009-05-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure and mechanism of a eukaryotic FMN adenylyltransferase.
J.Mol.Biol., 389, 2009
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4GTY
 | | Crystal structure of mouse Enpp1 in complex with GMP | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Kato, K, Nishimasu, H, Ishitani, R, Nureki, O. | | 登録日 | 2012-08-29 | | 公開日 | 2012-11-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3G2Q
 | | Crystal Structure of the Glycopeptide N-methyltransferase MtfA complexed with sinefungin | | 分子名称: | PCZA361.24, SINEFUNGIN | | 著者 | Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | 登録日 | 2009-01-31 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structure and function of the glycopeptide N-methyltransferase MtfA, a tool for the biosynthesis of modified glycopeptide antibiotics.
Chem.Biol., 16, 2009
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3G34
 | | CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE) | | 分子名称: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ... | | 著者 | Chen, Y, Shoichet, B.K. | | 登録日 | 2009-02-01 | | 公開日 | 2009-03-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
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3FQD
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4LAM
 | | Crystal structure of Cordyceps militaris IDCase D323N mutant in complex with 5-carboxyl-uracil | | 分子名称: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ... | | 著者 | Xu, S, Li, W, Zhu, J, Ding, J. | | 登録日 | 2013-06-20 | | 公開日 | 2013-10-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
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4GXW
 | | Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn | | 分子名称: | Adenosine deaminase, CHLORIDE ION, ZINC ION | | 著者 | Vetting, M.W, Goble, A.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2012-09-04 | | 公開日 | 2012-09-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn
To be Published
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3P3P
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3FST
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4GPE
 | | Crystal Structure of Benzoylformate Decarboxylase Mutant L403M | | 分子名称: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | | 著者 | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | | 登録日 | 2012-08-20 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
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3P4J
 | | Ultra-high resolution structure of d(CGCGCG)2 Z-DNA | | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE | | 著者 | Brzezinski, K, Brzuszkiewicz, A, Dauter, M, Kubicki, M, Jaskolski, M, Dauter, Z. | | 登録日 | 2010-10-06 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (0.55 Å) | | 主引用文献 | High regularity of Z-DNA revealed by ultra high-resolution crystal structure at 0.55 A.
Nucleic Acids Res., 39, 2011
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3P4O
 | | Crystal Structure of H2-Kb in complex with the mutant NP205-LCMV-V3A epitope YTAKYPNL, an 8-mer modified peptide from the LCMV | | 分子名称: | ACETYL GROUP, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | 著者 | Gras, S, Guillonneau, C, Rossjohn, J. | | 登録日 | 2010-10-06 | | 公開日 | 2011-10-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of H2-Kb in complex with the mutant NP205-LCMV-V3A epitope YTAKYPNL, an 8-mer modified peptide from the LCMV
To be Published
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4GQI
 | | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide, ... | | 著者 | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | | 登録日 | 2012-08-23 | | 公開日 | 2013-07-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | | 主引用文献 | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Bioorg.Med.Chem.Lett., 22, 2012
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4GQT
 | | N-terminal domain of C. elegans Hsp90 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90, ZINC ION | | 著者 | Osipiuk, J, Chhor, G, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2012-08-23 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | N-terminal domain of C. elegans Hsp90
To be Published
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4KUW
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4LB3
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | 登録日 | 2013-06-20 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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3FWK
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