8AVS
 
 | | Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of citrate and acetate | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Bacteriocin aureocin A53, ... | | 著者 | Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P. | | 登録日 | 2022-08-26 | | 公開日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
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2WEP
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2VSF
 | | Structure of XPD from Thermoplasma acidophilum | | 分子名称: | CALCIUM ION, DNA REPAIR HELICASE RAD3 RELATED PROTEIN, IRON/SULFUR CLUSTER | | 著者 | Kuper, J, Wolski, S.C, Truglio, J.J, Kisker, C. | | 登録日 | 2008-04-23 | | 公開日 | 2008-07-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structure of the Fes Cluster-Containing Nucleotide Excision Repair Helicase Xpd.
Plos Biol., 6, 2008
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2X6D
 | | Aurora-A bound to an inhibitor | | 分子名称: | 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION | | 著者 | Kosmopoulou, M, Bayliss, R. | | 登録日 | 2010-02-17 | | 公開日 | 2010-07-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.796 Å) | | 主引用文献 | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.
J. Med. Chem., 53, 2010
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4ISY
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6AK2
 | | Crystal structure of the syntenin PDZ1 domain in complex with the peptide inhibitor KSL-128018 | | 分子名称: | Syntenin-1, peptide inhibitor KSL-128018 | | 著者 | Jin, Z.Y, Park, J.H, Yun, J.H, Haugaard-Kedstrom, L.M, Lee, W.T. | | 登録日 | 2018-08-29 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | | 主引用文献 | A High-Affinity Peptide Ligand Targeting Syntenin Inhibits Glioblastoma.
J.Med.Chem., 64, 2021
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7E48
 | | Crystal structure of InhA in complex with 3-nitropropanoic acid inhibitor | | 分子名称: | 3-NITROPROPANOIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | | 著者 | Songsiriritthigul, C, Hanwarinroj, C, Suttipanta, N, Kamsri, P, Kittakoop, P, Pungpo, P. | | 登録日 | 2021-02-10 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Inhibition of Mycobacterium tuberculosis InhA by 3-nitropropanoic acid.
Proteins, 90, 2022
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6B4W
 | | TTK in Complex with Inhibitor | | 分子名称: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK | | 著者 | Delker, S, Chamberlain, P.P. | | 登録日 | 2017-09-27 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
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5FGK
 | | CDK8-CYCC IN COMPLEX WITH 8-[3-(3-Amino-1H-indazol-6-yl)-5-chloro- pyridine-4-yl]-2,8-diaza-spiro[4.5]decan-1-one | | 分子名称: | 1,2-ETHANEDIOL, 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ... | | 著者 | Musil, D, Blagg, J, Mallinger, A. | | 登録日 | 2015-12-20 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
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3UG9
 | | Crystal Structure of the Closed State of Channelrhodopsin | | 分子名称: | Archaeal-type opsin 1, Archaeal-type opsin 2, OLEIC ACID, ... | | 著者 | Kato, H.E, Ishitani, R, Nureki, O. | | 登録日 | 2011-11-02 | | 公開日 | 2012-01-25 | | 最終更新日 | 2017-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the channelrhodopsin light-gated cation channel
Nature, 482, 2012
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3V15
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3V17
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3UD5
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A | | 分子名称: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | | 著者 | Shaw, G, Shi, G, Ji, X. | | 登録日 | 2011-10-27 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
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5HBH
 | | CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide | | 分子名称: | 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ... | | 著者 | Musil, D, Blagg, J, Mallinger, A. | | 登録日 | 2015-12-31 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
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8PMX
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8PN0
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8PMZ
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3UDE
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | | 著者 | Shaw, G, Shi, G, Ji, X. | | 登録日 | 2011-10-28 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.881 Å) | | 主引用文献 | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
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5HBE
 | | CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one | | 分子名称: | 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... | | 著者 | Musil, D, Blagg, J, Mallinger, A. | | 登録日 | 2015-12-31 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
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8PMW
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8PMY
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3UDV
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | | 著者 | Shaw, G, Shi, G, Ji, X. | | 登録日 | 2011-10-28 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
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6H1H
 | | Crystal structure of human Pirin in complex with compound 7 (PLX4720) | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ... | | 著者 | Ali, S, Le Bihan, Y.V, van Montfort, R.L.M. | | 登録日 | 2018-07-11 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Privileged Structures and Polypharmacology within and between Protein Families.
ACS Med Chem Lett, 9, 2018
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4ACG
 | | GSK3b in complex with inhibitor | | 分子名称: | 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | 著者 | Xue, Y, Ormo, M. | | 登録日 | 2011-12-15 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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5DR5
 | | Crystal structure of the sclerostin-neutralizing Fab AbD09097 | | 分子名称: | AbD09097 Fab heavy chain, AbD09097 Fab light chain | | 著者 | Mueller, T.D, Boschert, V, Weidauer, S.E, Muth, E.M, Knappik, A, Frisch, C. | | 登録日 | 2015-09-15 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Generation and Affinity Maturation of Neutralizing Anti-Sclerostin Antibodies
to be published
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