8OLO
 
 | | Murine type III Abeta fibril from ARTE10 mouse | | 分子名称: | Amyloid-beta protein 42 | | 著者 | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | | 登録日 | 2023-03-30 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
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7R6X
 | | SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ... | | 著者 | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | 登録日 | 2021-06-23 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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5IDP
 | | CDK8-CYCC IN COMPLEX WITH (3-Amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro-phenyl)-piperidin-1-yl]-methanone | | 分子名称: | (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone, Cyclin-C, Cyclin-dependent kinase 8, ... | | 著者 | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | | 登録日 | 2016-02-24 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
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9DF0
 | | PDCoV S RBD bound to PD41 Fab (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PD41 Fab variable heavy-chain, PD41 Fab variable light-chain, ... | | 著者 | Asarnow, D, Rexhepaj, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-13 | | 最終更新日 | 2024-12-25 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Isolation and escape mapping of broadly neutralizing antibodies against emerging delta-coronaviruses.
Immunity, 57, 2024
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5A0B
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | 登録日 | 2015-04-17 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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9DEZ
 | | PDCoV S trimer bound by three copies of PD41 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITOLEIC ACID, ... | | 著者 | Asarnow, D, Rexhepaj, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-13 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Isolation and escape mapping of broadly neutralizing antibodies against emerging delta-coronaviruses.
Immunity, 57, 2024
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5VGC
 | | Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Borek, D, Valleau, D, Skarina, T, Jobin, M.C, Wawrzak, Z, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2017-04-10 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai
To Be Published
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6WG0
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5A8Z
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | | 著者 | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | 登録日 | 2015-07-17 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
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4YEB
 | | Structural characterization of a synaptic adhesion complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibronectin leucine rich transmembrane protein 3, ... | | 著者 | Ranaivoson, F.M, Liu, Q, Martini, F, Bergami, F, von Daake, S, Li, S, Lee, D, Demeler, B, Hendrickson, W.A, Comoletti, D. | | 登録日 | 2015-02-23 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development.
Structure, 23, 2015
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6WFW
 | | Crystal structure of Fab364 in complex with NPNA2 peptide from circumsporozoite protein | | 分子名称: | Fab364 heavy chain, Fab364 light chain, Immunoglobulin G-binding protein G, ... | | 著者 | Pholcharee, T, Oyen, D, Wilson, I.A. | | 登録日 | 2020-04-04 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | | 主引用文献 | Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
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6WG2
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6WFX
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1AB2
 | | THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY 2 DOMAIN OF C-ABL | | 分子名称: | C-ABL TYROSINE KINASE SH2 DOMAIN | | 著者 | Overduin, M, Rios, C.B, Mayer, B.J, Baltimore, D, Cowburn, D. | | 登録日 | 1993-07-19 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Three-dimensional solution structure of the src homology 2 domain of c-abl.
Cell(Cambridge,Mass.), 70, 1992
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5ID6
 | | Structure of Cpf1/RNA Complex | | 分子名称: | Cpf1, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3') | | 著者 | Dong, D, Ren, K, Qiu, X, Wang, J, Huang, Z. | | 登録日 | 2016-02-24 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.382 Å) | | 主引用文献 | The crystal structure of Cpf1 in complex with CRISPR RNA
Nature, 532, 2016
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4X1E
 | | Crystal structure of unliganded E. coli transcriptional regulator RutR, W167A mutant | | 分子名称: | HTH-type transcriptional regulator RutR | | 著者 | Nguyen Le Minh, P, de Cima, S, Bervoets, I, Maes, D, Rubio, V, Charlier, D. | | 登録日 | 2014-11-24 | | 公開日 | 2015-01-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Ligand binding specificity of RutR, a member of the TetR family of transcription regulators in Escherichia coli.
Febs Open Bio, 5, 2015
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5A8X
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | 登録日 | 2015-07-17 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
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5A0A
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | 登録日 | 2015-04-17 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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4YAY
 | | XFEL structure of human Angiotensin Receptor | | 分子名称: | 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor | | 著者 | Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR) | | 登録日 | 2015-02-18 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 2015
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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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7UR7
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7UR8
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3BWJ
 | | Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034 | | 分子名称: | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide, cAMP-dependent protein kinase, alpha-catalytic subunit | | 著者 | Lavogina, D, Koenig, N, Uri, A, Bossemeyer, D. | | 登録日 | 2008-01-09 | | 公開日 | 2009-02-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases.
J.Med.Chem., 52, 2009
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4ZWJ
 | | Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser | | 分子名称: | Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin | | 著者 | Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR) | | 登録日 | 2015-05-19 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.302 Å) | | 主引用文献 | Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
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5I5Z
 | | CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]naphthyridine-2-carboxylic acid methylamide | | 分子名称: | Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID, ... | | 著者 | Musil, D, Blagg, J, Mallinger, A. | | 登録日 | 2016-02-15 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.
Acs Med.Chem.Lett., 7, 2016
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