8FEC
 
 | | Structure of J-PKAc chimera complexed with Aplithianine derivative | | Descriptor: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-06 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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8FE2
 | | Structure of J-PKAc chimera complexed with Aplithianine A | | Descriptor: | 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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8FE5
 | | Structure of J-PKAc chimera complexed with Aplithianine B | | Descriptor: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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8UHA
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7NZM
 | | Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Yan, Y, Hardwick, S, Ron, D. | | Deposit date: | 2021-03-24 | | Release date: | 2021-09-29 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Higher-order phosphatase-substrate contacts terminate the integrated stress response.
Nat.Struct.Mol.Biol., 28, 2021
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8U8M
 | | X-ray crystal structure of TEBP-1 MCD2 homodimer | | Descriptor: | COBALT (II) ION, Double-strand telomeric DNA-binding proteins 1 | | Authors: | Nandakumar, J, Padmanaban, S. | | Deposit date: | 2023-09-18 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Caenorhabditis elegans telomere-binding proteins TEBP-1 and TEBP-2 adapt the Myb module to dimerize and bind telomeric DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8U8L
 | | X-ray crystal structure of TEBP-2 MCD3 with ds DNA | | Descriptor: | CESIUM ION, DNA (5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*CP*TP*TP*AP*GP*GP*CP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*GP*CP*CP*TP*AP*AP*GP*CP*CP*TP*AP*AP*CP*A)-3'), ... | | Authors: | Nandakumar, J, Padmanaban, S. | | Deposit date: | 2023-09-18 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Caenorhabditis elegans telomere-binding proteins TEBP-1 and TEBP-2 adapt the Myb module to dimerize and bind telomeric DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VC6
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8VC4
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8VCH
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4X20
 | | Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications | | Descriptor: | 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Parris, K.D. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
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4X1K
 | | Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications | | Descriptor: | 2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Parris, K.D. | | Deposit date: | 2014-11-24 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
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8WWO
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3J41
 | | Pseudo-atomic model of the Aquaporin-0/Calmodulin complex derived from electron microscopy | | Descriptor: | CALCIUM ION, Calmodulin, Lens fiber major intrinsic protein | | Authors: | Reichow, S.L, Clemens, D.M, Freites, J.A, Nemeth-Cahalan, K.L, Heyden, M, Tobias, D.J, Hall, J.E, Gonen, T. | | Deposit date: | 2013-05-31 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (25 Å) | | Cite: | Allosteric mechanism of water-channel gating by Ca(2+)-calmodulin.
Nat.Struct.Mol.Biol., 20, 2013
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5AAV
 | | Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | | Descriptor: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR | | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | | Deposit date: | 2015-07-29 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
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8UCH
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8UCI
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K238G + AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8UCE
 | | Thermophilic RNA Ligase from Palaeococcus pacificus + AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8UCG
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K92A | | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8UCF
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K238G | | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8VVB
 | | Influenza antibody L5A7 Fab | | Descriptor: | L5A7 Heavy Chain, L5A7 Light Chain | | Authors: | Harris, D.R, Olia, A.S, Kwong, P.D. | | Deposit date: | 2024-01-30 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody.
Front Immunol, 15, 2024
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8WNW
 | | the structure of PsaQ | | Descriptor: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, PsaQ | | Authors: | Zhang, S.M, Si, L, Li, M. | | Deposit date: | 2023-10-06 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
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7NXM
 | | Structure of human cathepsin K in complex with the selective activity-based probe Gu3416 | | Descriptor: | Cathepsin K, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, SULFATE ION | | Authors: | Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-09-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
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7NXL
 | | Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110 | | Descriptor: | Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate | | Authors: | Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-09-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
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8WMJ
 | | structure of PSI-11CAC complex at Logrithmic growth phase | | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhang, S.M, Si, L, Li, M. | | Deposit date: | 2023-10-03 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
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