1QA1
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![BU of 1qa1 by Molmil](/molmil-images/mine/1qa1) | TAILSPIKE PROTEIN, MUTANT V331G | 分子名称: | TAILSPIKE PROTEIN | 著者 | Baxa, U, Steinbacher, S, Weintraub, A, Huber, R, Seckler, R. | 登録日 | 1999-04-10 | 公開日 | 2000-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mutations improving the folding of phage P22 tailspike protein affect its receptor binding activity. J.Mol.Biol., 293, 1999
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1QA3
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![BU of 1qa3 by Molmil](/molmil-images/mine/1qa3) | TAILSPIKE PROTEIN, MUTANT A334I | 分子名称: | TAILSPIKE PROTEIN | 著者 | Baxa, U, Steinbacher, S, Weintraub, A, Huber, R, Seckler, R. | 登録日 | 1999-04-10 | 公開日 | 2000-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mutations improving the folding of phage P22 tailspike protein affect its receptor binding activity. J.Mol.Biol., 293, 1999
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6GYK
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![BU of 6gyk by Molmil](/molmil-images/mine/6gyk) | Structure of a yeast closed complex (core CC1) | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | 著者 | Dienemann, C, Schwalb, B, Schilbach, S, Cramer, P. | 登録日 | 2018-06-30 | 公開日 | 2018-12-05 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (5.1 Å) | 主引用文献 | Promoter Distortion and Opening in the RNA Polymerase II Cleft. Mol. Cell, 73, 2019
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6GYL
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![BU of 6gyl by Molmil](/molmil-images/mine/6gyl) | Structure of a yeast closed complex with distorted DNA (core CCdist) | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | 著者 | Dienemann, C, Schwalb, B, Schilbach, S, Cramer, P. | 登録日 | 2018-06-30 | 公開日 | 2018-12-05 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | 主引用文献 | Promoter Distortion and Opening in the RNA Polymerase II Cleft. Mol. Cell, 73, 2019
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6GYM
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![BU of 6gym by Molmil](/molmil-images/mine/6gym) | Structure of a yeast closed complex with distorted DNA (CCdist) | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | 著者 | Dienemann, C, Schwalb, B, Schilbach, S, Cramer, P. | 登録日 | 2018-06-30 | 公開日 | 2018-12-05 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (6.7 Å) | 主引用文献 | Promoter Distortion and Opening in the RNA Polymerase II Cleft. Mol. Cell, 73, 2019
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6H06
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![BU of 6h06 by Molmil](/molmil-images/mine/6h06) | FAB CBTAU-22.1 IN COMPLEX WITH TAU PEPTIDE V1088-5 | 分子名称: | GLYCEROL, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-22.1, HUMAN FAB ANTIBODY FRAGMENT OF HCBTAU-22.1, ... | 著者 | Juraszek, J, Steinbacher, S. | 登録日 | 2018-07-06 | 公開日 | 2018-07-25 | 最終更新日 | 2020-03-11 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Enhancement of therapeutic potential of a naturally occurring human antibody targeting a phosphorylated Ser422containing epitope on pathological tau. Acta Neuropathol Commun, 6, 2018
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3TJ1
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![BU of 3tj1 by Molmil](/molmil-images/mine/3tj1) | Crystal Structure of RNA Polymerase I Transcription Initiation Factor Rrn3 | 分子名称: | RNA polymerase I-specific transcription initiation factor RRN3 | 著者 | Blattner, C, Jennebach, S, Herzog, F, Mayer, A, Cheung, A.C.M, Witte, G, Lorenzen, K, Hopfner, K.-P, Heck, A.J.R, Aebersold, R, Cramer, P. | 登録日 | 2011-08-23 | 公開日 | 2011-09-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Molecular basis of Rrn3-regulated RNA polymerase I initiation and cell growth. Genes Dev., 25, 2011
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5VFI
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![BU of 5vfi by Molmil](/molmil-images/mine/5vfi) | Bruton's tyrosine kinase (BTK) with GDC-0853 | 分子名称: | 1,2-ETHANEDIOL, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, SULFATE ION, ... | 著者 | Steinbacher, S, Eigenbrot, C. | 登録日 | 2017-04-07 | 公開日 | 2018-02-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development. J. Med. Chem., 61, 2018
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6XDF
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![BU of 6xdf by Molmil](/molmil-images/mine/6xdf) | Crystal structure of IRE1a in complex with G-4100 | 分子名称: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | 著者 | Steinbacher, S, Wang, W. | 登録日 | 2020-06-10 | 公開日 | 2021-04-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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6CB3
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6CC3
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6FTF
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![BU of 6ftf by Molmil](/molmil-images/mine/6ftf) | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.09 A resolution | 分子名称: | 1,2-ETHANEDIOL, 7-cyano-7-deazainosine, Protein kinase A regulatory subunit, ... | 著者 | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | 登録日 | 2018-02-21 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.09151936 Å) | 主引用文献 | Nucleoside analogue activators of cyclic AMP-independent protein kinase A of Trypanosoma. Nat Commun, 10, 2019
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8CEO
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7AVQ
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![BU of 7avq by Molmil](/molmil-images/mine/7avq) | Crystal structure of haspin in complex with disubstituted imidazo[1,2- b]pyridazine inhibitor (compound 12) | 分子名称: | (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ... | 著者 | Chaikuad, A, Bonnet, P, Routier, S, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-05 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Design of new disubstituted imidazo[1,2- b ]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation. J Enzyme Inhib Med Chem, 35, 2020
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8AUZ
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![BU of 8auz by Molmil](/molmil-images/mine/8auz) | Crystal structure of GSK3 beta (GSK3b) in complex with FL291. | 分子名称: | 8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline, Glycogen synthase kinase-3 beta, SULFATE ION | 著者 | Chaikuad, A, Mongin, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-08-26 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3 alpha (GSK-3 alpha ): Development and impact on temozolomide treatment of glioblastoma cells. Bioorg.Chem., 134, 2023
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8AV1
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![BU of 8av1 by Molmil](/molmil-images/mine/8av1) | Crystal structure of GSK3 beta (GSK3b) in complex with CD7. | 分子名称: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline, Glycogen synthase kinase-3 beta, ... | 著者 | Chaikuad, A, Mongin, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-08-26 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Oxazolo[5,4-f]quinoxaline-type selective inhibitors of glycogen synthase kinase-3 alpha (GSK-3 alpha ): Development and impact on temozolomide treatment of glioblastoma cells. Bioorg.Chem., 134, 2023
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6H14
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![BU of 6h14 by Molmil](/molmil-images/mine/6h14) | Crystal structure of TcACHE complexed to 1-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)urea | 分子名称: | 1,2-ETHANEDIOL, 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Coquelle, N, Colletier, J.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 (1.86 Å) | 主引用文献 | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3. Eur.J.Med.Chem., 168, 2019
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6H13
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![BU of 6h13 by Molmil](/molmil-images/mine/6h13) | Crystal structure of TcACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | Coquelle, N, Colletier, J.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 (2.8 Å) | 主引用文献 | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3. Eur.J.Med.Chem., 168, 2019
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6H12
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![BU of 6h12 by Molmil](/molmil-images/mine/6h12) | Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Coquelle, N, Colletier, J.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 (2.2 Å) | 主引用文献 | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3. Eur.J.Med.Chem., 168, 2019
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2RIS
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2RIU
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![BU of 2riu by Molmil](/molmil-images/mine/2riu) | Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase- alternate interpreation | 分子名称: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE | 著者 | Stenkamp, R.E, Le Trong, I. | 登録日 | 2007-10-12 | 公開日 | 2008-01-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase. Acta Crystallogr.,Sect.D, 64, 2008
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3LXG
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![BU of 3lxg by Molmil](/molmil-images/mine/3lxg) | Crystal structure of rat phosphodiesterase 10A in complex with ligand WEB-3 | 分子名称: | 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Mosbacher, T, Jestel, A, Steinbacher, S. | 登録日 | 2010-02-25 | 公開日 | 2010-05-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors. J.Med.Chem., 53, 2010
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2RF4
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6DCW
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3TH0
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![BU of 3th0 by Molmil](/molmil-images/mine/3th0) | P22 Tailspike complexed with S.Paratyphi O antigen octasaccharide | 分子名称: | Bifunctional tail protein, GLYCEROL, alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose | 著者 | Andres, D, Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S. | 登録日 | 2011-08-18 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | An essential serotype recognition pocket on phage P22 tailspike protein forces Salmonella enterica serovar Paratyphi A O-antigen fragments to bind as nonsolution conformers. Glycobiology, 23, 2013
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