2WG2
 
 | | NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT) | | 分子名称: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | | 登録日 | 2009-04-15 | | 公開日 | 2010-04-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
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4D90
 | | Crystal Structure of Del-1 EGF domains | | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Chen, Q, Schurpf, T, Springer, T, Wang, J. | | 登録日 | 2012-01-11 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | The RGD finger of Del-1 is a unique structural feature critical for integrin binding.
Faseb J., 26, 2012
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4D98
 | | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in space group H32 at pH 7.5 | | 分子名称: | CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase deoD-type, ... | | 著者 | Santos, C.R, Meza, A.N, Martins, N.H, Giuseppe, P.O, Murakami, M.T. | | 登録日 | 2012-01-11 | | 公開日 | 2012-09-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
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4D36
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine | | 分子名称: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2014-10-20 | | 公開日 | 2014-12-24 | | 最終更新日 | 2015-03-04 | | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4D9H
 | | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with adenosine | | 分子名称: | ADENOSINE, Purine nucleoside phosphorylase deoD-type | | 著者 | Giuseppe, P.O, Martins, N.H, Meza, A.N, Murakami, M.T. | | 登録日 | 2012-01-11 | | 公開日 | 2012-09-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
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4D88
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490 | | 分子名称: | (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | 著者 | Rondeau, J.M, Bourgier, E. | | 登録日 | 2012-01-10 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8G
 | | Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 2 - low Mn) | | 分子名称: | FE (III) ION, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta | | 著者 | Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. | | 登録日 | 2012-01-10 | | 公開日 | 2012-02-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
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4D9X
 | | The crystal structure of Coptisine bound to DNA d(CGTACG) | | 分子名称: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, CALCIUM ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | | 著者 | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R. | | 登録日 | 2012-01-12 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | The crystal structure of Coptisine bound to DNA d(CGTACG)
to be published
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4D2Y
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine | | 分子名称: | (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2014-10-20 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4D31
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-cyanobenzyl) ethan-1-amine | | 分子名称: | 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2014-10-20 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4D3A
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(3-fluorophenyl)-N-2-(2-(5-methyl-1H-imidazol-1-yl) pyrimidin-4-yl)ethylpropan-1-amine | | 分子名称: | 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2014-10-20 | | 公開日 | 2014-12-24 | | 最終更新日 | 2015-03-04 | | 実験手法 | X-RAY DIFFRACTION (2.252 Å) | | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4D38
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine | | 分子名称: | (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2014-10-20 | | 公開日 | 2014-12-24 | | 最終更新日 | 2015-03-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4D3L
 | | SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 in the orthorhombic form | | 分子名称: | (3S)-3-HYDROXYHEPTANEDIOIC ACID, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | | 登録日 | 2014-10-22 | | 公開日 | 2016-01-20 | | 最終更新日 | 2016-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4D30
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin- 3-yl)propan-1-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2014-10-20 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.962 Å) | | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4D83
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment | | 分子名称: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | 著者 | Rondeau, J.M, Bourgier, E. | | 登録日 | 2012-01-10 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8N
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4D8A
 | | Crystal structure of B. anthracis DHPS with compound 21 | | 分子名称: | Dihydropteroate synthase, LYSINE, SULFATE ION, ... | | 著者 | Hammoudeh, D, Lee, R.E, White, S.W. | | 登録日 | 2012-01-10 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.183 Å) | | 主引用文献 | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4D9U
 | | Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | | 分子名称: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate | | 著者 | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | | 登録日 | 2012-01-12 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
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4D9O
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232D
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4COB
 | | Crystal structure kynurenine formamidase from Pseudomonas aeruginosa | | 分子名称: | KYNURENINE FORMAMIDASE, ZINC ION | | 著者 | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | | 登録日 | 2014-01-28 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
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2CM6
 | | crystal structure of the C2B domain of rabphilin3A | | 分子名称: | CALCIUM ION, PHOSPHATE ION, RABPHILIN-3A | | 著者 | Schlicker, C, Montaville, P, Sheldrick, G.M, Becker, S. | | 登録日 | 2006-05-04 | | 公開日 | 2006-12-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The C2A-C2B Linker Defines the High Affinity Ca2+ Binding Mode of Rabphilin-3A.
J.Biol.Chem., 282, 2007
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2C6M
 | | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | | 分子名称: | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | 登録日 | 2005-11-10 | | 公開日 | 2005-12-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
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4CQ4
 | | C-terminal fragment of Af1503-sol: transmembrane receptor Af1503 from Archaeoglobus fulgidus engineered for solubility | | 分子名称: | ENGINEERED VERSION OF TRANSMEMBRANE RECEPTOR AF1503 | | 著者 | Hartmann, M.D, Dunin-Horkawicz, S, Hulko, M, Martin, J, Coles, M, Lupas, A.N. | | 登録日 | 2014-02-11 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A Soluble Mutant of the Transmembrane Receptor Af1503 Features Strong Changes in Coiled-Coil Periodicity.
J.Struct.Biol., 186, 2014
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4CY8
 | | 2-hydroxybiphenyl 3-monooxygenase (HbpA) in complex with FAD | | 分子名称: | 2-HYDROXYBIPHENYL 3-MONOOXYGENASE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE | | 著者 | Jensen, C.N, Farrugia, J.E, Frank, A, Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | | 登録日 | 2014-04-10 | | 公開日 | 2015-03-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Structures of the Apo and Fad-Bound Forms of 2-Hydroxybiphenyl 3-Monooxygenase (Hbpa) Locate Activity Hotspots Identified by Using Directed Evolution.
Chembiochem, 16, 2015
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