6NLF
 
 | | 1.45 A resolution structure of apo BfrB from Pseudomonas aeruginosa | | 分子名称: | Ferroxidase, POTASSIUM ION | | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | 登録日 | 2019-01-08 | | 公開日 | 2019-05-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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2GSA
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3KSW
 | | Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide) | | 分子名称: | 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | 著者 | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | | 登録日 | 2009-11-23 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
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8OLZ
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 2h30 soaking | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-exon, DOMAINS 1-5, ... | | 著者 | Silvestri, I, Marcia, M. | | 登録日 | 2023-03-30 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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6NPI
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4RI0
 | | Serine Protease HtrA3, mutationally inactivated | | 分子名称: | PHOSPHATE ION, Serine protease HTRA3 | | 著者 | Osipiuk, J, Glaza, P, Wenta, T, Lipinska, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2014-10-03 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.272 Å) | | 主引用文献 | Structural and Functional Analysis of Human HtrA3 Protease and Its Subdomains.
Plos One, 10, 2015
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6NPF
 | | Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite. | | 分子名称: | Enolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | 著者 | Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D. | | 登録日 | 2019-01-17 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
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8OLV
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+ and ARN25850 | | 分子名称: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, ... | | 著者 | Silvestri, I, Marcia, M. | | 登録日 | 2023-03-30 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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6NR5
 | | Human LSD1 in complex with Phenelzine sulfate | | 分子名称: | Lysine-specific histone demethylase 1A, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | 著者 | Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S. | | 登録日 | 2019-01-22 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer.
Front Immunol, 10, 2019
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2J8G
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8EDE
 | | Crystal structure of covalent inhibitor 2-chloro-N'-(N-(4-chlorophenyl)-N-methylglycyl)acetohydrazide bound to Ubiquitin C-terminal Hydrolase-L1 | | 分子名称: | 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1 | | 著者 | Patel, R, Imhoff, R, Flaherty, D, Das, C. | | 登録日 | 2022-09-04 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | | 主引用文献 | Covalent Fragment Screening and Optimization Identifies the Chloroacetohydrazide Scaffold as Inhibitors for Ubiquitin C-terminal Hydrolase L1.
J.Med.Chem., 67, 2024
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1YCI
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2J7H
 | | Beta-glucosidase from Thermotoga maritima in complex with azafagomine | | 分子名称: | ACETATE ION, AZAFAGOMINE, BETA-GLUCOSIDASE A, ... | | 著者 | Gloster, T.M, Meloncelli, P, Stick, R.V, Zechel, D, Davies, G.J. | | 登録日 | 2006-10-08 | | 公開日 | 2006-10-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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1YEZ
 | | Solution structure of the conserved protein from the gene locus MM1357 of Methanosarcina mazei. Northeast Structural Genomics target MaR30. | | 分子名称: | MM1357 | | 著者 | Rossi, P, Aramini, J.M, Swapna, G.V.T, Huang, Y.P, Xiao, R, Ho, C.K, Ma, L.C, Acton, T.B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2004-12-29 | | 公開日 | 2005-02-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the conserved protein from the gene locus MM1357 of Methanosarcina mazei. Northeast Structural Genomics target MaR30.
To be Published
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6O2M
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1YKI
 | | The structure of E. coli nitroreductase bound with the antibiotic nitrofurazone | | 分子名称: | CITRIC ACID, DIMETHYL SULFOXIDE, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Race, P.R, Lovering, A.L, Green, R.M, Ossor, A, White, S.A, Searle, P.F, Wrighton, C.J, Hyde, E.I. | | 登録日 | 2005-01-18 | | 公開日 | 2005-02-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme.
J.Biol.Chem., 280, 2005
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4RKP
 | | Crystal Structure of Mevalonate-3-Kinase from Thermoplasma acidophilum (apo form) | | 分子名称: | ACETATE ION, Putative uncharacterized protein Ta1305, SULFATE ION | | 著者 | Vinokur, J.M, Cascio, D, Sawaya, M.R, Bowie, J.U. | | 登録日 | 2014-10-13 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural analysis of mevalonate-3-kinase provides insight into the mechanisms of isoprenoid pathway decarboxylases.
Protein Sci., 24, 2015
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8OLW
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8OLS
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4RKZ
 | | Crystal Structure of Mevalonate-3-Kinase from Thermoplasma acidophilum (Mevalonate 3-Phosphate/ADP Bound) | | 分子名称: | (3R)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid, ADENOSINE-5'-DIPHOSPHATE, Putative uncharacterized protein Ta1305, ... | | 著者 | Vinokur, J.M, Cascio, D, Sawaya, M.R, Bowie, J.U. | | 登録日 | 2014-10-14 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural analysis of mevalonate-3-kinase provides insight into the mechanisms of isoprenoid pathway decarboxylases.
Protein Sci., 24, 2015
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4RLM
 | | Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with CrystFEL | | 分子名称: | Lysozyme C | | 著者 | Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B. | | 登録日 | 2014-10-17 | | 公開日 | 2015-02-25 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams.
Acta Crystallogr.,Sect.D, 71, 2015
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3AOX
 | | X-ray crystal structure of human anaplastic lymphoma kinase in complex with CH5424802 | | 分子名称: | 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, ALK tyrosine kinase receptor | | 著者 | Nagel, S, Moertl, M, Jestel, A, Fukami, T.A. | | 登録日 | 2010-10-08 | | 公開日 | 2011-05-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant
Cancer Cell, 19, 2011
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2J8T
 | | Human aldose reductase in complex with NADP and citrate at 0.82 angstrom | | 分子名称: | ALDO-KETO REDUCTASE FAMILY 1, MEMBER B1, CITRATE ANION, ... | | 著者 | Biadene, M, Hazemann, I, Cousido, A, Ginell, S, Sheldrick, G.M, Podjarny, A, Schneider, T.R. | | 登録日 | 2006-10-27 | | 公開日 | 2007-05-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (0.82 Å) | | 主引用文献 | The Atomic Resolution Structure of Human Aldose Reductase Reveals that Rearrangement of a Bound Ligand Allows the Opening of the Safety-Belt Loop.
Acta Crystallogr.,Sect.D, 63, 2007
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4OO9
 | | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mavoglurant, Metabotropic glutamate receptor 5, ... | | 著者 | Dore, A.S, Okrasa, K, Patel, J.C, Serrano-Vega, M, Bennett, K, Cooke, R.M, Errey, J.C, Jazayeri, A, Khan, S, Tehan, B, Weir, M, Wiggin, G.R, Marshall, F.H. | | 登録日 | 2014-01-31 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.
Nature, 511, 2014
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1XMU
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Roflumilast | | 分子名称: | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ZINC ION, ... | | 著者 | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | 登録日 | 2004-10-04 | | 公開日 | 2004-12-14 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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