PDB: 223532 件ウェブページステータス検索Chemie searchBIRD

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4MW7	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469) 分子名称: 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. 登録日 2013-09-24 公開日 2014-04-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
4MLR	dihydrodipicolinate synthase from C. jejuni, Y110F mutation with pyruvate and Lysine 分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... 著者 Conly, C.J.T. 登録日 2013-09-06 公開日 2015-01-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Tyrosine 110 Plays a Critical Role in Regulating the Allosteric Inhibition of Campylobacter jejuni Dihydrodipicolinate Synthase by Lysine. Biochemistry, 53, 2014
4MXC	Crystal structure of CMET in complex with novel inhibitor 分子名称: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide 著者 Liu, Q.F, Chen, T.T, Xu, Y.C. 登録日 2013-09-26 公開日 2014-10-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.632 Å) 主引用文献 Discovery of Anilinopyrimidines as Dual Inhibitors of c-Met and VEGFR-2: Synthesis, SAR, and Cellular Activity ACS MED.CHEM.LETT., 5, 2014
4MIN	Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei with bound cofactor NAD 分子名称: GLYCEROL, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. 登録日 2013-09-01 公開日 2015-03-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei with bound cofactor NAD To be Published
4DO6	Pharmacological chaperones for human alpha-N-acetylgalactosaminidase 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminidase, ... 著者 Clark, N.E, Garman, S.C. 登録日 2012-02-09 公開日 2012-10-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Pharmacological chaperones for human alpha-N-acetylgalactosaminidase Proc.Natl.Acad.Sci.USA, 109, 2012
4DH6	Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide 分子名称: (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ... 著者 Sickmier, E.A. 登録日 2012-01-27 公開日 2012-04-18 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid. J.Med.Chem., 55, 2012
4DUH	Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor 分子名称: 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B 著者 Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D. 登録日 2012-02-22 公開日 2012-08-01 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors. J.Med.Chem., 55, 2012
4DOP	Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, R mutant 分子名称: Cation efflux system protein CusA, Cation efflux system protein CusB 著者 Su, C.-C, Long, F, Yu, E. 登録日 2012-02-10 公開日 2012-06-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (4.2 Å) 主引用文献 Charged Amino Acids (R83, E567, D617, E625, R669, and K678) of CusA Are Required for Metal Ion Transport in the Cus Efflux System. J.Mol.Biol., 422, 2012
4DQB	Crystal Structure of wild-type HIV-1 Protease in Complex with DRV 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ... 著者 Schiffer, C.A, Mittal, S. 登録日 2012-02-15 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
4DQJ	Structural Investigation of Bacteriophage Phi6 Lysin (in complex with chitotetraose) 分子名称: 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Membrane protein Phi6 P5 著者 Dessau, M.A, Modis, Y. 登録日 2012-02-16 公開日 2013-01-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Selective pressure causes an RNA virus to trade reproductive fitness for increased structural and thermal stability of a viral enzyme. PLoS Genet, 8, 2012
4DV2	Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, C912A 分子名称: 16S rRNA, MAGNESIUM ION, ZINC ION, ... 著者 Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. 登録日 2012-02-22 公開日 2013-02-27 実験手法 X-RAY DIFFRACTION (3.646 Å) 主引用文献 A structural basis for streptomycin resistance To be Published
4DX6	Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop 分子名称: Acriflavine resistance protein B, DARPIN, DODECYL-BETA-D-MALTOSIDE 著者 Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. 登録日 2012-02-27 公開日 2012-05-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop. Proc.Natl.Acad.Sci.USA, 109, 2012
4DZO	Structure of Human Mad1 C-terminal Domain Reveals Its Involvement in Kinetochore Targeting 分子名称: Mitotic spindle assembly checkpoint protein MAD1 著者 Luo, X, Sun, H, Tomchick, D.R. 登録日 2012-03-01 公開日 2012-04-11 最終更新日 2018-01-24 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Structure of human Mad1 C-terminal domain reveals its involvement in kinetochore targeting. Proc.Natl.Acad.Sci.USA, 109, 2012
4DV7	Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, A915G, bound with streptomycin 分子名称: 16S rRNA, MAGNESIUM ION, STREPTOMYCIN, ... 著者 Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. 登録日 2012-02-22 公開日 2013-02-27 実験手法 X-RAY DIFFRACTION (3.294 Å) 主引用文献 A structural basis for streptomycin resistance To be Published
4DE0	CTX-M-9 class A beta-lactamase complexed with compound 16 分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide 著者 Nichols, D.N, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DEF	Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis 分子名称: ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ... 著者 Capodagli, G.C, Pegan, S.D. 登録日 2012-01-20 公開日 2013-01-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis. Biochemistry, 52, 2013
4DXD	Staphylococcal Aureus FtsZ in complex with 723 分子名称: 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE 著者 Lu, J, Soisson, S.M. 登録日 2012-02-27 公開日 2012-05-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics. Sci Transl Med, 4, 2012
4DXL	Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abscessus, bound to CMP and ATP 分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2012-02-27 公開日 2012-03-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4DZW	Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... 著者 Aripirala, S, Amzel, L.M, Gabelli, S.B. 登録日 2012-03-01 公開日 2013-01-16 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
4E0L	FYLLYYT segment from human Beta 2 Microglobulin (62-68) displayed on 54-membered macrocycle scaffold 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide FYLLYYT(ORN)KN(HAO)SA(ORN) 著者 Zhao, M, Liu, C, Michael, S.R, Eisenberg, D. 登録日 2012-03-04 公開日 2012-12-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
4DLU	H-Ras Set 1 Ca(OAc)2, on 分子名称: ACETATE ION, CALCIUM ION, GTPase HRas, ... 著者 Holzapfel, G, Mattos, C. 登録日 2012-02-06 公開日 2012-08-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
4E3J	Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7999 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3X	Crystal Structure of Mus musculus 1-pyrroline-5-carboxylate dehydrogenase cryoprotected in proline 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, ... 著者 Tanner, J.J, Pemberton, T.A. 登録日 2012-03-10 公開日 2012-07-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Proline: Mother Nature's cryoprotectant applied to protein crystallography. Acta Crystallogr.,Sect.D, 68, 2012
4DAY	Crystal structure of the RMI core complex with MM2 peptide from FANCM 分子名称: Fanconi anemia group M protein, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2 著者 Hoadley, K.A, Keck, J.L. 登録日 2012-01-13 公開日 2012-03-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Defining the molecular interface that connects the Fanconi anemia protein FANCM to the Bloom syndrome dissolvasome. Proc.Natl.Acad.Sci.USA, 109, 2012
4DQ6	Crystal structure of PLP-bound putative aminotransferase from Clostridium difficile 630 分子名称: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Putative pyridoxal phosphate-dependent transferase 著者 Shabalin, I.G, Onopriyenko, O, Kudritska, M, Chruszcz, M, Grimshaw, S, Porebski, P.J, Cooper, D.R, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2012-02-15 公開日 2012-02-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structures of putative aminotransferase from Clostridium difficile 630 to be published

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