5JR7
 
 | | Crystal structure of an ACRDYS heterodimer [RIa(92-365):C] of PKA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type I-alpha regulatory subunit | | Authors: | Bruystens, J.G.H, Wu, J, Taylor, S.S. | | Deposit date: | 2016-05-05 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.56 Å) | | Cite: | Structure of a PKA RI alpha Recurrent Acrodysostosis Mutant Explains Defective cAMP-Dependent Activation.
J. Mol. Biol., 428, 2016
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6N7K
 | | Cryo-EM structure of tetrameric Ptch1 in complex with ShhNp (form II) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yan, N, Gong, X, Qian, H.W. | | Deposit date: | 2018-11-27 | | Release date: | 2019-05-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm.
Nat Commun, 10, 2019
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7L7H
 | | Alpha-synuclein fibrils | | Descriptor: | Alpha-synuclein | | Authors: | Hojjatian, A, Dasari, A. | | Deposit date: | 2020-12-28 | | Release date: | 2022-01-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Distinct cryo-EM Structure of Alpha-synuclein Filaments derived by Tau
To Be Published
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2PX9
 | | The intrinsic affinity between E2 and the Cys domain of E1 in Ubiquitin-like modifications | | Descriptor: | SUMO-activating enzyme subunit 2, SUMO-conjugating enzyme UBC9 | | Authors: | Wang, J.H, Hu, W.D, Cai, S, Lee, B, Song, J, Chen, Y. | | Deposit date: | 2007-05-14 | | Release date: | 2007-07-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The intrinsic affinity between E2 and the Cys domain of E1 in ubiquitin-like modifications.
Mol.Cell, 27, 2007
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4MD8
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5J31
 | | Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS | | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, Exoenzyme S | | Authors: | Wallraven, K, Cromm, P, Bier, D, Glas, A, Grossmann, T. | | Deposit date: | 2016-03-30 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne Metathesis.
Chembiochem, 17, 2016
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6O8C
 | | Crystal structure of STING CTT in complex with TBK1 | | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | Authors: | Li, P, Zhao, B, Du, F. | | Deposit date: | 2019-03-09 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
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4YWB
 | | Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid and oxalic acid | | Descriptor: | 3-sulfanylpyridine-2-carboxylic acid, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Balan, M.D, Johnson, T.A, Lotosky, W.R, Mcleod, M.J, Holyoak, T. | | Deposit date: | 2015-03-20 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid.
Biochemistry, 54, 2015
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6O4O
 | | The structure of human interleukin 11 | | Descriptor: | CHLORIDE ION, Interleukin-11, SULFATE ION | | Authors: | Metcalfe, R.D, Griffin, M.D.W. | | Deposit date: | 2019-02-28 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The structure of the extracellular domains of human interleukin 11 alpha receptor reveals mechanisms of cytokine engagement.
J.Biol.Chem., 295, 2020
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6O8B
 | | Crystal structure of STING CTD in complex with TBK1 | | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | Authors: | Li, P, Zhao, B, Du, F. | | Deposit date: | 2019-03-09 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
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5JM4
 | | Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | | Deposit date: | 2016-04-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.
J. Med. Chem., 60, 2017
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2W99
 | | Crystal Structure of CDK4 in complex with a D-type cyclin | | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | | Deposit date: | 2009-01-22 | | Release date: | 2009-03-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2VUS
 | | Crystal structure of unliganded NmrA-AreA zinc finger complex | | Descriptor: | CHLORIDE ION, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ... | | Authors: | Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K. | | Deposit date: | 2008-05-30 | | Release date: | 2008-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area.
J.Mol.Biol., 381, 2008
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7MJP
 | | Vascular KATP channel: Kir6.1 SUR2B propeller-like conformation 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Sung, M.W, Shyng, S.L. | | Deposit date: | 2021-04-20 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MJQ
 | | Vascular KATP channel: Kir6.1 SUR2B quatrefoil-like conformation 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ATP-sensitive inward rectifier potassium channel 8, ... | | Authors: | Sung, M.W, Shyng, S.L. | | Deposit date: | 2021-04-20 | | Release date: | 2021-10-13 | | Last modified: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MJO
 | | Vascular KATP channel: Kir6.1 SUR2B quatrefoil-like conformation 1 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ... | | Authors: | Sung, M.W, Shyng, S.L. | | Deposit date: | 2021-04-20 | | Release date: | 2021-10-13 | | Last modified: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1TRS
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2LCL
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6ODB
 | | Crystal structure of HDAC8 in complex with compound 3 | | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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6OQI
 | | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Murray, J.M. | | Deposit date: | 2019-04-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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6XYO
 | | Multiple system atrophy Type I alpha-synuclein filament | | Descriptor: | Alpha-synuclein | | Authors: | Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2020-01-30 | | Release date: | 2020-02-12 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structures of alpha-synuclein filaments from multiple system atrophy.
Nature, 585, 2020
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2QVS
 | | Crystal Structure of Type IIa Holoenzyme of cAMP-dependent Protein Kinase | | Descriptor: | cAMP-dependent protein kinase type II-alpha regulatory subunit, cAMP-dependent protein kinase, alpha-catalytic subunit | | Authors: | Wu, J, Brown, S.H.J, von Daake, S, Taylor, S.S. | | Deposit date: | 2007-08-08 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | PKA type IIalpha holoenzyme reveals a combinatorial strategy for isoform diversity.
Science, 318, 2007
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5X3F
 | | Crystal structure of the YgjG-Protein A-Zpa963-PKA catalytic domain | | Descriptor: | Putrescine aminotransferase,Immunoglobulin G-binding protein A, Zpa963,cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O. | | Deposit date: | 2017-02-05 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
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6RP6
 | | Fragment AZ-019 binding at the TAZpS89/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CALCIUM ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-14 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.885 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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4ZLT
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