4DXJ
 
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-propylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | 登録日 | 2012-02-27 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 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
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4DBW
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin | | 分子名称: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid | | 著者 | Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M. | | 登録日 | 2012-01-16 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
J.Med.Chem., 56, 2013
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3GBB
 | | X-ray structure of iGluR5 ligand-binding core (S1S2) in complex with MSVIII-19 at 2.10A resolution | | 分子名称: | (2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, Glutamate receptor, ionotropic kainate 1 | | 著者 | Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. | | 登録日 | 2009-02-19 | | 公開日 | 2009-03-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Full Domain Closure of the Ligand-binding Core of the Ionotropic Glutamate Receptor iGluR5 Induced by the High Affinity Agonist Dysiherbaine and the Functional Antagonist 8,9-Dideoxyneodysiherbaine
J.Biol.Chem., 284, 2009
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3QK5
 | | Crystal structure of fatty acid amide hydrolase with small molecule inhibitor | | 分子名称: | (3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile, 1,2-ETHANEDIOL, Fatty-acid amide hydrolase 1, ... | | 著者 | Min, X, Walker, N.P.C, Wang, Z. | | 登録日 | 2011-01-31 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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4DGG
 | | c-SRC kinase domain in complex with RM-1-176 | | 分子名称: | 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Merritt, E.A, Larson, E.T. | | 登録日 | 2012-01-25 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Active site profiling reveals coupling between domains in SRC-family kinases.
Nat.Chem.Biol., 9, 2013
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4HXM
 | | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | | 分子名称: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | | 著者 | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | 登録日 | 2012-11-12 | | 公開日 | 2013-04-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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3GIG
 | | Crystal structure of phosphorylated DesKC in complex with AMP-PCP | | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK | | 著者 | Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D. | | 登録日 | 2009-03-05 | | 公開日 | 2009-09-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.502 Å) | | 主引用文献 | Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
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3QQ7
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3GIT
 | | Crystal structure of a truncated acetyl-CoA synthase | | 分子名称: | Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, GLYCEROL, HYDROSULFURIC ACID, ... | | 著者 | Volbeda, A, Darnault, C, Fontecilla-Camps, J.C. | | 登録日 | 2009-03-06 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Novel domain arrangement in the crystal structure of a truncated acetyl-CoA synthase from Moorella thermoacetica
Biochemistry, 48, 2009
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3QQM
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3QII
 | | Crystal structure of tudor domain 2 of human PHD finger protein 20 | | 分子名称: | PHD finger protein 20, UNKNOWN ATOM OR ION | | 著者 | Li, Z, Tempel, W, Wernimont, A.K, Chao, X, Bian, C, Lam, R, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2011-01-27 | | 公開日 | 2011-02-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of the Tudor domains of human PHF20 reveal novel structural variations on the Royal Family of proteins.
Febs Lett., 586, 2012
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4DEG
 | | Crystal structure of c-Met in complex with triazolopyridazine inhibitor 2 | | 分子名称: | 7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor | | 著者 | Whittington, D.A, Bellon, S.F, Long, A.M. | | 登録日 | 2012-01-20 | | 公開日 | 2012-05-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4DI4
 | | Crystal structure of a 3:1 complex of Treponema pallidum TatP(T) (Tp0957) bound to TatT (Tp0956) | | 分子名称: | TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, TatP(T) (Tp0957), ... | | 著者 | Brautigam, C.A, Deka, R.K, Norgard, M.V. | | 登録日 | 2012-01-30 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.714 Å) | | 主引用文献 | Structural and Thermodynamic Characterization of the Interaction between Two Periplasmic Treponema pallidum Lipoproteins that are Components of a TPR-Protein-Associated TRAP Transporter (TPAT).
J.Mol.Biol., 420, 2012
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3QTI
 | | c-Met Kinase in Complex with NVP-BVU972 | | 分子名称: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline, CHLORIDE ION, GLYCEROL, ... | | 著者 | Appleton, B.A. | | 登録日 | 2011-02-22 | | 公開日 | 2011-07-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Drug Resistance Screen Using a Selective MET Inhibitor Reveals a Spectrum of Mutations That Partially Overlap with Activating Mutations Found in Cancer Patients.
Cancer Res., 71, 2011
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4DKT
 | | Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Protein-arginine deiminase type-4, ... | | 著者 | Jones, J.E, Slack, J.L, Fang, P, Zhang, X, Subramanian, V, Causey, C.P, Coonrod, S.A, Guo, M, Thompson, P.R. | | 登録日 | 2012-02-04 | | 公開日 | 2012-02-29 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors.
Acs Chem.Biol., 7, 2012
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3QLS
 | | Candida albicans dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP115A) | | 分子名称: | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine, GLYCEROL, GLYCINE, ... | | 著者 | Paulsen, J.L, Bendel, S.D, Anderson, A.C. | | 登録日 | 2011-02-03 | | 公開日 | 2011-07-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.733 Å) | | 主引用文献 | Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
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2O2V
 | | Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox) | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 3 | | 著者 | Filippakopoulos, P, Savitsky, P, Ugochukwu, E, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2006-11-30 | | 公開日 | 2006-12-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox)
To be Published
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3QC0
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4I1M
 | | Crystal structure of the Legionella pneumophila GAP domain of LepB | | 分子名称: | DI(HYDROXYETHYL)ETHER, LepB | | 著者 | Streller, A, Gazdag, E.M, Vetter, I.R, Goody, R.S, Itzen, A. | | 登録日 | 2012-11-21 | | 公開日 | 2013-01-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | | 主引用文献 | Mechanism of Rab1b deactivation by the Legionella pneumophila GAP LepB.
Embo Rep., 14, 2013
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4I34
 | | Crystal Structure of W-W-W ClpX Hexamer | | 分子名称: | ATP-dependent Clp protease ATP-binding subunit ClpX, SULFATE ION | | 著者 | Glynn, S.E, Nager, A.R, Stinson, B.S, Schmitz, K.R, Baker, T.A, Sauer, R.T. | | 登録日 | 2012-11-23 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (4.1218 Å) | | 主引用文献 | Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine.
Cell(Cambridge,Mass.), 153, 2013
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4DN9
 | | CRYSTAL STRUCTURE OF putative Antibiotic biosynthesis monooxygenase from Chloroflexus aurantiacus J-10-fl | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, Antibiotic biosynthesis monooxygenase, SULFATE ION | | 著者 | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2012-02-08 | | 公開日 | 2012-02-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF putative Antibiotic biosynthesis monooxygenase from Chloroflexus aurantiacus J-10-fl
To be Published
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4I4I
 | | Crystal Structure of Bacillus stearothermophilus Phosphofructokinase mutant T156A bound to PEP | | 分子名称: | 6-phosphofructokinase, PHOSPHOENOLPYRUVATE | | 著者 | Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | | 登録日 | 2012-11-27 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4948 Å) | | 主引用文献 | Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase.
Biochemistry, 52, 2013
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3ESS
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2O5A
 | | Crystal structure of Q9KD89 from Bacillus halodurans. Northeast Structural Genomics target BhR21 | | 分子名称: | BH1328 protein, MANGANESE (II) ION, SULFATE ION | | 著者 | Benach, J, Su, M, Seetharaman, J, Ho, C.H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2006-12-05 | | 公開日 | 2006-12-19 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of Q9KD89 from Bacillus halodurans. Northeast Structural Genomics target BhR21
To be Published
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3ETI
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