4PTE
 
 | | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | | 分子名称: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | 登録日 | 2014-03-10 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.033 Å) | | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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7NUM
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4PJL
 | | Myosin VI motor domain A458E mutant in the Pi release state, space group P212121 - | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A. | | 登録日 | 2014-05-12 | | 公開日 | 2015-04-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
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5WRB
 | | Crystal structure of hen egg-white lysozyme | | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | | 著者 | Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E. | | 登録日 | 2016-12-01 | | 公開日 | 2017-12-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.013 Å) | | 主引用文献 | Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017
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6BNU
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6M7X
 | | Structure of human CYP11B1 in complex with fadrozole | | 分子名称: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B1, mitochondrial, ... | | 著者 | Scott, E.E, Brixius-Anderko, S. | | 登録日 | 2018-08-21 | | 公開日 | 2018-11-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.095 Å) | | 主引用文献 | Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
J. Biol. Chem., 294, 2019
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5WSL
 | | Structural studies of keratinase from Meiothermus taiwanensis WR-220 | | 分子名称: | CALCIUM ION, SULFATE ION, keratinase | | 著者 | Ho, M.C, Wu, S.H, Chen, M.Y, Tu, I.F. | | 登録日 | 2016-12-07 | | 公開日 | 2017-10-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The discovery of novel heat-stable keratinases from Meiothermus taiwanensis WR-220 and other extremophiles
Sci Rep, 7, 2017
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6BP1
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6MCR
 | | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-001 | | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, Protease | | 著者 | Bulut, H, Hayashi, H, Hattori, S.I, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | | 登録日 | 2018-09-02 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants.
Antimicrob.Agents Chemother., 63, 2019
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6F9Z
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7E4V
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6BRE
 | | Hen Egg-White Lysozyme cocrystallized with Cadmium sulphate using CuKalpha source. | | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Sakon, J, Caviness, P, Jack, T, Pickens, J.B, Reed, P, Ruth, C. | | 登録日 | 2017-11-30 | | 公開日 | 2018-01-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Hen Egg-White Lysozyme (HEWL) cocrystallized with Cadmium sulphate.
To Be Published
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6FA4
 | | Antibody derived (Abd-7) small molecule binding to KRAS. | | 分子名称: | 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | 登録日 | 2017-12-15 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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6MBQ
 | | Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation | | 分子名称: | 1,2-ETHANEDIOL, GTPase KRas, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Dharmaiah, S, Davies, D.R, Abendroth, J, Gillette, W.G, Stephen, A.G, Simanshu, D.K. | | 登録日 | 2018-08-30 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
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6C0T
 | | Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain bound with N46 | | 分子名称: | DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, TRIETHYLENE GLYCOL, ... | | 著者 | Qin, L, Sankaran, B, Kim, C. | | 登録日 | 2018-01-02 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
J. Biol. Chem., 293, 2018
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4QKI
 | | Dimeric form of human LLT1, a ligand for NKR-P1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D | | 著者 | Skalova, T, Blaha, J, Harlos, K, Duskova, J, Koval, T, Stransky, J, Hasek, J, Vanek, O, Dohnalek, J. | | 登録日 | 2014-06-06 | | 公開日 | 2015-03-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Four crystal structures of human LLT1, a ligand of human NKR-P1, in varied glycosylation and oligomerization states
Acta Crystallogr.,Sect.D, 71, 2015
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6C10
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4QP1
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4QP9
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6F1W
 | | Crystal structure of human Casein Kinase I delta in complex with compound 31a | | 分子名称: | (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, Casein kinase I isoform delta, SULFATE ION | | 著者 | Pichlo, C, Brunstein, E, Baumann, U. | | 登録日 | 2017-11-23 | | 公開日 | 2019-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.864 Å) | | 主引用文献 | Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24, 2019
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5WDR
 | | Choanoflagellate Salpingoeca rosetta Ras with GMP-PNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras protein, ... | | 著者 | Kondo, Y, Gee, C.L, Kuriyan, J. | | 登録日 | 2017-07-05 | | 公開日 | 2017-07-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
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6BT0
 | | CRYSTAL STRUCTURE OF RHEB IN COMPLEX WITH COMPOUND NR1 | | 分子名称: | 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid, GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Mahoney, S.J. | | 登録日 | 2017-12-04 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A small molecule inhibitor of Rheb selectively targets mTORC1 signaling.
Nat Commun, 9, 2018
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6F2J
 | | Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM sodium sulfate | | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | 著者 | Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O. | | 登録日 | 2017-11-24 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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4PZW
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | 分子名称: | (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A. | | 登録日 | 2014-03-31 | | 公開日 | 2014-05-14 | | 最終更新日 | 2014-10-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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7E46
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