4TRZ
 
 | | Structure of BACE1 complex with 2-thiophenyl HEA-type inhibitor | | 分子名称: | 2-thiophenyl HEA-type inhibitor, Beta-secretase 1 | | 著者 | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | | 登録日 | 2014-06-18 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors
Bioorg.Med.Chem., 23, 2015
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8R9D
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4TSB
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8R9Q
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8RAC
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5HCO
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5HD7
 | | Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | | 分子名称: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | | 登録日 | 2016-01-04 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
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8R6T
 | | NMR solution structure of thyropin IrThy-Cd from the hard tick Ixodes ricinus | | 分子名称: | Putative two thyropin protein (Fragment) | | 著者 | Srb, P, Veverka, V, Matouskova, Z, Orsaghova, K, Mares, M. | | 登録日 | 2023-11-23 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | SOLUTION NMR | | 主引用文献 | An Unusual Two-Domain Thyropin from Tick Saliva: NMR Solution Structure and Highly Selective Inhibition of Cysteine Cathepsins Modulated by Glycosaminoglycans.
Int J Mol Sci, 25, 2024
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7AP7
 | | Structure of the W64R amyloidogenic variant of human lysozyme | | 分子名称: | Lysozyme C, SULFATE ION | | 著者 | Vettore, N, Herman, R, Kerff, F, Charlier, P, Sauvage, E, Brans, A, Morray, J, Dobson, C, Kumita, J, Dumoulin, M. | | 登録日 | 2020-10-16 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Characterisation of the structural, dynamic and aggregation properties of the W64R amyloidogenic variant of human lysozyme.
Biophys.Chem., 271, 2021
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6V8R
 | | Proteinase K Determined by MicroED Phased by ARCIMBOLDO_SHREDDER | | 分子名称: | CALCIUM ION, Proteinase K | | 著者 | Richards, L.S, Martynowycz, M.W, Sawaya, M.R, Millan, C. | | 登録日 | 2019-12-11 | | 公開日 | 2020-08-12 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.6 Å) | | 主引用文献 | Fragment-based determination of a proteinase K structure from MicroED data using ARCIMBOLDO_SHREDDER
Acta Crystallogr.,Sect.D, 76, 2020
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5HDX
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5HE4
 | | BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium | | 分子名称: | (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | 著者 | Orth, P. | | 登録日 | 2016-01-05 | | 公開日 | 2016-03-16 | | 最終更新日 | 2016-04-27 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
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4RVT
 | | MAP4K4 in complex with a pyridin-2(1H)-one derivative | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4 | | 著者 | Richters, A, Becker, C, Kleine, S, Rauh, D. | | 登録日 | 2014-11-27 | | 公開日 | 2015-05-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5HGG
 | | Crystal structure of uPA in complex with a camelid-derived antibody fragment | | 分子名称: | (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Camelid Derived Antibody Fragment, ... | | 著者 | Yung, K.W.Y, Kromann-Hansen, T, Andreasen, P.A, Ngo, J.C.K. | | 登録日 | 2016-01-08 | | 公開日 | 2016-06-01 | | 最終更新日 | 2016-08-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior
J.Biol.Chem., 291, 2016
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6V6L
 | | Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one | | 分子名称: | 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION | | 著者 | Bussiere, D.E, Fang, E, Shu, W. | | 登録日 | 2019-12-05 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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4RTT
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6H0U
 | | Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor | | 分子名称: | (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ... | | 著者 | Marcovich, I, Demitri, N, De Zorzi, R, Storici, P. | | 登録日 | 2018-07-10 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.
Chemmedchem, 14, 2019
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6V6V
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6H17
 | | Myxococcus xanthus MglA bound to GTPgammaS | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Mutual gliding-motility protein MglA, ... | | 著者 | Galicia, C, Cherfils, J. | | 登録日 | 2018-07-11 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.275 Å) | | 主引用文献 | MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
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6H1L
 | | Structure of the BM3 heme domain in complex with tioconazole | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | 著者 | Jeffreys, L.N, Munro, A.W.M, Leys, D. | | 登録日 | 2018-07-12 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.968 Å) | | 主引用文献 | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
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8RNV
 | | Hen Egg White Lysozyme soaked with cis-Ru(DMSO)4Cl2 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | | 登録日 | 2024-01-11 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
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7B2T
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8RNX
 | | Hen Egg White Lysozyme soaked with [HIsq][trans-RuCl4(DMSO)(Isq)] | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | 著者 | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | | 登録日 | 2024-01-11 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
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4RYG
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4S0Q
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