3Q96
 
 | | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | | 分子名称: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | | 著者 | Sintchak, M.D, Aertgeerts, K, Yano, J. | | 登録日 | 2011-01-07 | | 公開日 | 2011-03-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
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3Q9Y
 | | Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 8.5 | | 分子名称: | 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, SULFATE ION | | 著者 | Battistutta, R, Ranchio, A, Papinutto, E. | | 登録日 | 2011-01-10 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
To be Published
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3Q9H
 | | LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold | | 分子名称: | 1,4-BUTANEDIOL, Cyclic pseudo-peptide LVFFA(ORN)(HAO)LK(ORN), GLYCEROL, ... | | 著者 | Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J. | | 登録日 | 2011-01-07 | | 公開日 | 2011-06-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics.
J.Am.Chem.Soc., 133, 2011
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3QAR
 | | Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 32 | | 分子名称: | 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2011-01-11 | | 公開日 | 2011-03-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
Bioorg.Med.Chem.Lett., 21, 2011
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3Q9X
 | | Crystal structure of human CK2 alpha in complex with emodin at pH 6.5 | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, ... | | 著者 | Battistutta, R, Ranchio, A, Papinutto, E. | | 登録日 | 2011-01-10 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
To be Published
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3QCS
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine | | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ... | | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | 登録日 | 2011-01-17 | | 公開日 | 2011-03-09 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.487 Å) | | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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3QH2
 | | Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P | | 分子名称: | 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, Regulatory protein tenI, SULFATE ION | | 著者 | Han, Y, Zhang, Y, Hazra, A, Chatterjee, A, Lai, R, Begley, T.P, Ealick, S.E. | | 登録日 | 2011-01-25 | | 公開日 | 2011-05-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.231 Å) | | 主引用文献 | A Missing Enzyme in Thiamin Thiazole Biosynthesis: Identification of TenI as a Thiazole Tautomerase.
J.Am.Chem.Soc., 133, 2011
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3QFF
 | | Crystal Structure of ADP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, N5-carboxyaminoimidazole ribonucleotide synthetase | | 著者 | Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E. | | 登録日 | 2011-01-21 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
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3QG2
 | | Plasmodium falciparum DHFR-TS qradruple mutant (N51I+C59R+S108N+I164L, V1/S) pyrimethamine complex | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | 著者 | Vanichtanankul, J, Yuvaniyama, J, Taweechai, S, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y. | | 登録日 | 2011-01-24 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Trypanosomal dihydrofolate reductase reveals natural antifolate resistance
Acs Chem.Biol., 6, 2011
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3QH3
 | | The crystal structure of TCR A6 | | 分子名称: | 1,2-ETHANEDIOL, A6 alpha chain, A6 beta chain, ... | | 著者 | Borbulevych, O.Y, Baker, B.M. | | 登録日 | 2011-01-25 | | 公開日 | 2012-01-04 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Disparate degrees of hypervariable loop flexibility control T-cell receptor cross-reactivity, specificity, and binding mechanism.
J.Mol.Biol., 414, 2011
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3Q7S
 | | 2.1A resolution structure of the ChxR receiver domain containing I3C from Chlamydia trachomatis | | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Transcriptional regulatory protein | | 著者 | Hickey, J, Lovell, S, Battaile, K.P, Hu, L, Middaugh, C.R, Hefty, P.S. | | 登録日 | 2011-01-05 | | 公開日 | 2011-07-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The atypical response regulator protein ChxR has structural characteristics and dimer interface interactions that are unique within the OmpR/PhoB subfamily.
J.Biol.Chem., 286, 2011
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3Q9C
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3QBJ
 | | Crystal structure of dipeptidyl peptidase IV in complex with inhibitor | | 分子名称: | 1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Liu, S.P. | | 登録日 | 2011-01-13 | | 公開日 | 2012-01-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Crystal structure of dipeptidyl peptidase IV in complex with inhibitor
To be Published
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3TY0
 | | Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione | | 分子名称: | (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | 著者 | Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W. | | 登録日 | 2011-09-23 | | 公開日 | 2011-11-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
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3TTU
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3TV8
 | | Pharmacological Chaperoning in Human alpha-Galactosidase | | 分子名称: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, ... | | 著者 | Rogich, J.J, Guce, A.I, Clark, N.E, Garman, S.C. | | 登録日 | 2011-09-19 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.639 Å) | | 主引用文献 | The molecular basis of pharmacological chaperoning in human alpha-galactosidase
Chem.Biol., 18, 2011
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3U5W
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3U31
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3U3A
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3U3J
 | | Crystal structure of hSULT1A1 bound to PAP | | 分子名称: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1 | | 著者 | Guttman, C, Berger, I, Aharoni, A, Zarivach, R. | | 登録日 | 2011-10-06 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The molecular basis for the broad substrate specificity of human sulfotransferase 1A1.
Plos One, 6, 2011
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3U41
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3TNI
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3TQY
 | | Structure of a single-stranded DNA-binding protein (ssb), from Coxiella burnetii | | 分子名称: | Single-stranded DNA-binding protein | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-21 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6001 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TRF
 | | Structure of a shikimate kinase (aroK) from Coxiella burnetii | | 分子名称: | SULFATE ION, Shikimate kinase | | 著者 | Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TRV
 | | Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution | | 分子名称: | D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ... | | 著者 | Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. | | 登録日 | 2011-09-11 | | 公開日 | 2012-01-25 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
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