PDB: 5425 件ウェブページステータス検索Chemie searchBIRD

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6ASY	BiP-ATP2 分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... 著者 Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L. 登録日 2017-08-26 公開日 2017-12-06 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s. Nat Commun, 8, 2017
6H4Z	Crystal structure of human KDM5B in complex with compound 16a 分子名称: 1,2-ETHANEDIOL, 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... 著者 Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. 登録日 2018-07-23 公開日 2019-06-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
6H50	Crystal structure of human KDM5B in complex with compound 34a 分子名称: 1,2-ETHANEDIOL, 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... 著者 Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. 登録日 2018-07-23 公開日 2019-06-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
6GJN	Cyclophilin A complexed with tri-vector ligand 15. 分子名称: 1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea, FORMIC ACID, GLYCEROL, ... 著者 Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. 登録日 2018-05-16 公開日 2018-11-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
6J67	Crystal structure of the compound 34 in a complex with TRF2 分子名称: 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2 著者 Chen, Y, Yang, Y, Lei, M. 登録日 2019-01-14 公開日 2019-02-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction. ACS Med Chem Lett, 9, 2018
6B1G	Solution structure of TDP-43 N-terminal domain dimer. 分子名称: TAR DNA-binding protein 43, S48E Mutant, Y4R Mutant 著者 Naik, M.T, Wang, A, Conicella, A, Fawzi, N.L. 登録日 2017-09-18 公開日 2018-02-28 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 A single N-terminal phosphomimic disrupts TDP-43 polymerization, phase separation, and RNA splicing. EMBO J., 37, 2018
6BB3	Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one 分子名称: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Chen, Z, Eigenbrot, C. 登録日 2017-10-16 公開日 2018-10-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
6BCR	Complex of 14-3-3 theta with an IRSp53 peptide phosphorylated at T340 分子名称: 1,2-ETHANEDIOL, 14-3-3 protein theta, DI(HYDROXYETHYL)ETHER, ... 著者 Kast, D.J, Dominguez, R. 登録日 2017-10-20 公開日 2018-10-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.986 Å) 主引用文献 Mechanism of IRSp53 inhibition by 14-3-3. Nat Commun, 10, 2019
6B0T	Structural Insights into the Induced-fit Inhibition of Fascin by a Small Molecule 分子名称: 4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide, Fascin 著者 Dey, R, Huang, X.Y. 登録日 2017-09-15 公開日 2018-04-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural Insights into the Induced-fit Inhibition of Fascin by a Small-Molecule Inhibitor. J. Mol. Biol., 430, 2018
6GJL	Cyclophilin A complexed with tri-vector ligand 10. 分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate 著者 Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. 登録日 2018-05-16 公開日 2018-11-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
6GRU	Crystal structure of human NUDT5 分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... 著者 Dubianok, Y, Collins, P, Krojer, T, Fairhead, M, MacLean, E, Diaz Saez, L, Strain-Damerell, C, Elkins, J, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F, Structural Genomics Consortium (SGC) 登録日 2018-06-12 公開日 2018-06-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Crystal structure of human NUDT5 To Be Published
6GZL	Complex between the dynein light chain DYNLL1/DLC8 and a peptide from the large myelin-associated glycoprotein L-MAG 分子名称: CHLORIDE ION, Dynein light chain 1, cytoplasmic, ... 著者 Myllykoski, M, Kursula, P. 登録日 2018-07-04 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.953 Å) 主引用文献 High-affinity heterotetramer formation between the large myelin-associated glycoprotein and the dynein light chain DYNLL1. J. Neurochem., 147, 2018
6I11	CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3 分子名称: ACETATE ION, Fascin, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide 著者 Schuettelkopf, A.W. 登録日 2018-10-27 公開日 2019-02-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
6HD0	Common mode of remodeling AAA ATPases p97/CDC48 by their disassembly cofactors ASPL/PUX1 分子名称: ADENOSINE-5'-DIPHOSPHATE, Plant UBX domain-containing protein 1, Transitional endoplasmic reticulum ATPase 著者 Heinemann, U, Roske, Y, Banchenko, S. 登録日 2018-08-17 公開日 2019-08-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.728 Å) 主引用文献 Common Mode of Remodeling AAA ATPases p97/CDC48 by Their Disassembling Cofactors ASPL/PUX1. Structure, 27, 2019
6BB1	Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one 分子名称: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... 著者 Ultsch, M, Eigenbrot, C. 登録日 2017-10-16 公開日 2018-10-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
6BB2	Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one 分子名称: (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... 著者 Ultsch, M, Eigenbrot, C. 登録日 2017-10-16 公開日 2018-10-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
6JJ6	BRD4 in complex with 500 分子名称: 1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one, Bromodomain-containing protein 4 著者 Xu, J, Chen, Y, Jiang, F, Zhu, J. 登録日 2019-02-25 公開日 2020-02-26 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 BRD4 in complex with ZZM1 To Be Published
6JI3	BRD4-BD1 bound with ligand 103 分子名称: (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 著者 Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. 登録日 2019-02-20 公開日 2020-02-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 brd4-bd1 bound with ligand 103 To Be Published
6GN0	Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form 分子名称: 14-3-3 protein beta/alpha, Exoenzyme S 著者 Karlberg, T, Pinto, A.F, Hornyak, P, Nareoja, K, Schuler, H. 登録日 2018-05-29 公開日 2018-09-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.24 Å) 主引用文献 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. Nat Commun, 9, 2018
6GNN	Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101 分子名称: 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme T 著者 Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. 登録日 2018-05-31 公開日 2018-09-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.79 Å) 主引用文献 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. Nat Commun, 9, 2018
6GN8	Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, Exoenzyme S 著者 Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. 登録日 2018-05-30 公開日 2018-09-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. Nat Commun, 9, 2018
6BD2	Complex of 14-3-3 theta with an IRSp53 peptide doubly-phosphorylated at T340 and S366 分子名称: 1,2-ETHANEDIOL, 14-3-3 protein theta, DI(HYDROXYETHYL)ETHER, ... 著者 Kast, D.J, Dominguez, R. 登録日 2017-10-20 公開日 2018-10-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Mechanism of IRSp53 inhibition by 14-3-3. Nat Commun, 10, 2019
6GYJ	Mouse thymidylate synthase crystal soaked in phenolphthalein 分子名称: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. 登録日 2018-06-30 公開日 2019-08-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Thymidylate synthase fragment screening To be published
6HW2	The Crystal Structure of CaV beta4c in complex with HP1gamma chromo shadow domains 分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, CALCIUM ION, ... 著者 Tanner, N, Tripathy, D.R, Hirsch, J.A. 登録日 2018-10-11 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.941 Å) 主引用文献 The Crystal Structure of CaV beta4c in complex with HP1gamma chromo shadow domains To Be Published
6BAG	Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one 分子名称: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... 著者 Ultsch, M, Eigenbrot, C. 登録日 2017-10-12 公開日 2018-10-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published

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