8Q8E
 
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8Q8X
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8Q9B
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5FMZ
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5FMQ
 | | Crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza A virus polymerase PB2 subunit bound to M7GTP H32 crystal form | | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, INFLUENZA A PB2 SUBUNIT | | 著者 | Thierry, E, Pflug, A, Hart, D, Cusack, S. | | 登録日 | 2015-11-07 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
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4CRF
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ... | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 最終更新日 | 2022-05-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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8QPH
 | | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | 著者 | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | | 登録日 | 2023-10-02 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
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4IN4
 | | Crystal structure of cpd 15 bound to Keap1 Kelch domain | | 分子名称: | 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION | | 著者 | Silvian, L, Marcotte, D. | | 登録日 | 2013-01-03 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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8QQC
 | | Crystal structure of Lymantria dispar CPV14 polyhedra single crystal | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | 著者 | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | | 登録日 | 2023-10-04 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
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5EI0
 | | Structure of RCL-cleaved vaspin (serpinA12) | | 分子名称: | Serpin A12 | | 著者 | Pippel, J, Kuettner, B.E, Ulbricht, D, Daberger, J, Schultz, S, Heiker, J.T, Strater, N. | | 登録日 | 2015-10-29 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of cleaved vaspin (serpinA12).
Biol.Chem., 397, 2016
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7N9C
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7A49
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | | 分子名称: | 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, SULFATE ION | | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | 登録日 | 2020-08-19 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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5ABX
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1FD0
 | | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254 | | 分子名称: | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | | 著者 | Klaholz, B.P, Moras, D, Structural Proteomics in Europe (SPINE) | | 登録日 | 2000-07-19 | | 公開日 | 2002-09-27 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity.
Structure, 10, 2002
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8PPR
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8PEE
 | | ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC | | 分子名称: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2023-06-13 | | 公開日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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5ABY
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4CRG
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, COAGULATION FACTOR XI, GLYCEROL, ... | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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1CWQ
 | | M INTERMEDIATE STRUCTURE OF THE WILD TYPE BACTERIORHODOPSIN IN COMBINATION WITH THE GROUND STATE STRUCTURE | | 分子名称: | BACTERIORHODOPSIN ("M" STATE INTERMEDIATE IN COMBINATION WITH GROUND STATE), HEXANE, N-OCTANE, ... | | 著者 | Sass, H.J, Berendzen, J, Neff, D, Gessenich, R, Ormos, P, Bueldt, G. | | 登録日 | 1999-08-26 | | 公開日 | 1999-10-20 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural alterations for proton translocation in the M state of wild-type bacteriorhodopsin.
Nature, 406, 2000
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7A22
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | | 分子名称: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha' | | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | 登録日 | 2020-08-15 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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4CRE
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | 6-chloro-4-methyl-1H-quinolin-2-one, COAGULATION FACTOR XI, SULFATE ION | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 最終更新日 | 2018-04-04 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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7A4B
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | | 分子名称: | 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | 登録日 | 2020-08-19 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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2GLS
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4CR5
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | 6-chloroquinolin-2(1H)-one, COAGULATION FACTOR XIA, SULFATE ION | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-25 | | 公開日 | 2015-02-11 | | 最終更新日 | 2018-04-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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4CR9
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | 4-methylquinoline-2,6-diamine, COAGULATION FACTOR XI, SULFATE ION | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 最終更新日 | 2018-04-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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