5TNT
 
 | | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide, ... | | 著者 | Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, A, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S. | | 登録日 | 2016-10-14 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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1JNZ
 | | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, SULFITE ION, ... | | 著者 | Fritz, G, Roth, A, Schiffer, A, Buechert, T, Bourenkov, G, Bartunik, H.D, Huber, H, Stetter, K.O, Kroneck, P.M, Ermler, U. | | 登録日 | 2001-07-26 | | 公開日 | 2002-03-27 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
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4H12
 | | The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2012-09-10 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
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1JQW
 | | THE 2.3 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/HOMOCYSTEINE COMPLEX | | 分子名称: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ZINC ION | | 著者 | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | 登録日 | 2001-08-09 | | 公開日 | 2001-10-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
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2WEI
 | | Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1 | | 分子名称: | 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE | | 著者 | Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R. | | 登録日 | 2009-03-31 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
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3ZKM
 | | BACE2 FAB COMPLEX | | 分子名称: | BETA-SECRETASE 2, DIMETHYL SULFOXIDE, FAB HEAVY CHAIN, ... | | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | 登録日 | 2013-01-23 | | 公開日 | 2013-05-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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4TXN
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil | | 分子名称: | 5-FLUOROURACIL, SULFATE ION, Uridine phosphorylase | | 著者 | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | 登録日 | 2014-07-03 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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1JVI
 | | THE 2.2 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/RIBOSILHOMOCYSTEINE COMPLEX | | 分子名称: | (2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ... | | 著者 | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | 登録日 | 2001-08-30 | | 公開日 | 2001-10-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
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4GUY
 | | Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... | | 著者 | Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. | | 登録日 | 2012-08-30 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors.
To be Published
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5JH0
 | | Crystal structure of the mitochondrial DNA packaging protein Abf2p in complex with DNA at 2.18 Angstrom resolution | | 分子名称: | ARS-binding factor 2, mitochondrial, DNA (5'-D(*AP*AP*TP*AP*AP*TP*AP*AP*AP*TP*TP*AP*TP*AP*TP*AP*AP*TP*AP*TP*AP*A)-3'), ... | | 著者 | Chakraborty, A, Lyonnais, S, Sola, M. | | 登録日 | 2016-04-20 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p.
Nucleic Acids Res., 45, 2017
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2OR0
 | | Structural Genomics, the crystal structure of a putative hydroxylase from Rhodococcus sp. RHA1 | | 分子名称: | ACETATE ION, Hydroxylase | | 著者 | Tan, K, Skarina, T, Kagen, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2007-02-01 | | 公開日 | 2007-03-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of a putative hydroxylase from Rhodococcus sp. RHA1
To be Published
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4TXH
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form | | 分子名称: | SULFATE ION, Uridine phosphorylase | | 著者 | Torini, J, Romanello, L, Marinho, A, Brandao-Neto, J, Cassago, A, DeMarco, R, Pereira, H.M. | | 登録日 | 2014-07-03 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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1JH3
 | | Solution structure of tyrosyl-tRNA synthetase C-terminal domain. | | 分子名称: | TYROSYL-TRNA SYNTHETASE | | 著者 | Guijarro, J.I, Pintar, A, Prochnicka-Chalufour, A, Guez, V, Gilquin, B, Bedouelle, H, Delepierre, M. | | 登録日 | 2001-06-27 | | 公開日 | 2002-03-20 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and Dynamics of the Anticodon Arm Binding Domain of Bacillus stearothermophilus
Tyrosyl-tRNA Synthetase
Structure, 10, 2002
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2WAE
 | | PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN 5204) | | 分子名称: | PENICILLIN-BINDING PROTEIN 2B, ZINC ION | | 著者 | Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A. | | 登録日 | 2009-02-05 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci
J.Mol.Biol., 387, 2009
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4TXJ
 | | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with thymidine | | 分子名称: | SULFATE ION, THYMIDINE, Uridine phosphorylase | | 著者 | Torini, J, Marinho, A, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | 登録日 | 2014-07-03 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.662 Å) | | 主引用文献 | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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2OMO
 | | Putative antibiotic biosynthesis monooxygenase from Nitrosomonas europaea | | 分子名称: | DUF176 | | 著者 | Osipiuk, J, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2007-01-22 | | 公開日 | 2007-01-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | X-ray structure of putative antibiotic biosynthesis monooxygenase from Nitrosomonas europaea.
To be Published
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1JMC
 | | SINGLE STRANDED DNA-BINDING DOMAIN OF HUMAN REPLICATION PROTEIN A BOUND TO SINGLE STRANDED DNA, RPA70 SUBUNIT, RESIDUES 183-420 | | 分子名称: | DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*C)-3'), PROTEIN (REPLICATION PROTEIN A (RPA)) | | 著者 | Bochkarev, A, Pfuetzner, R, Edwards, A, Frappier, L. | | 登録日 | 1996-11-11 | | 公開日 | 1997-10-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of the single-stranded-DNA-binding domain of replication protein A bound to DNA.
Nature, 385, 1997
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8OIP
 | | 28S mammalian mitochondrial small ribosomal subunit with mtRF1 and P-site tRNA | | 分子名称: | 12S rRNA, 28S ribosomal protein S15, mitochondrial, ... | | 著者 | Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N. | | 登録日 | 2023-03-23 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Molecular basis of translation termination at noncanonical stop codons in human mitochondria.
Science, 380, 2023
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2OQG
 | | ArsR-like Transcriptional Regulator from Rhodococcus sp. RHA1 | | 分子名称: | ACETIC ACID, Possible transcriptional regulator, ArsR family protein | | 著者 | Kim, Y, Xu, X, Zheng, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2007-01-31 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Crystal Structure of the ArsR-like Transcriptional Regulator from Rhodococcus sp. RHA1
To be Published
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3D2Y
 | | Complex of the N-acetylmuramyl-L-alanine amidase AmiD from E.coli with the substrate anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys | | 分子名称: | Anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys, GLYCEROL, N-acetylmuramoyl-L-alanine amidase amiD | | 著者 | Kerff, F, Petrella, S, Herman, R, Sauvage, E, Mercier, F, Luxen, A, Frere, J.M, Joris, B, Charlier, P. | | 登録日 | 2008-05-09 | | 公開日 | 2009-06-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Specific Structural Features of the N-Acetylmuramoyl-l-Alanine Amidase AmiD from Escherichia coli and Mechanistic Implications for Enzymes of This Family.
J.Mol.Biol., 397, 2010
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3ZKI
 | | BACE2 MUTANT STRUCTURE WITH LIGAND | | 分子名称: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2 | | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | 登録日 | 2013-01-23 | | 公開日 | 2013-05-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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2WAF
 | | PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN R6) | | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 2B | | 著者 | Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A. | | 登録日 | 2009-02-05 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 | Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci
J.Mol.Biol., 387, 2009
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2WBL
 | | Three-dimensional structure of a binary ROP-PRONE complex | | 分子名称: | RAC-LIKE GTP-BINDING PROTEIN ARAC2, RHO OF PLANTS GUANINE NUCLEOTIDE EXCHANGE FACTOR 8 | | 著者 | Thomas, C, Fricke, I, Weyand, M, Berken, A. | | 登録日 | 2009-03-02 | | 公開日 | 2009-04-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | 3D Structure of a Binary Rop-Prone Complex: The Final Intermediate for a Complete Set of Molecular Snapshots of the Ropgef Reaction.
Biol.Chem., 390, 2009
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4GKI
 | | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1 | | 分子名称: | 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | | 著者 | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2012-08-11 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
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8OIR
 | | 55S human mitochondrial ribosome with mtRF1 and P-site tRNA | | 分子名称: | 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ... | | 著者 | Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N. | | 登録日 | 2023-03-23 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Molecular basis of translation termination at noncanonical stop codons in human mitochondria.
Science, 380, 2023
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