5G5W
 
 | | Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators | | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ... | | Authors: | Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T. | | Deposit date: | 2016-06-08 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators.
Bioorg.Med.Chem.Lett., 26, 2017
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8DB3
 | | Crystal structure of KaiC with truncated C-terminal coiled-coil domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC | | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | | Deposit date: | 2022-06-14 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | From primordial clocks to circadian oscillators.
Nature, 616, 2023
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8FWJ
 | | Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ... | | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | | Deposit date: | 2023-01-22 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | From primordial clocks to circadian oscillators.
Nature, 616, 2023
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6QL4
 | | Crystal structure of nucleotide-free Mgm1 | | Descriptor: | 1,2-ETHANEDIOL, Putative mitochondrial dynamin protein | | Authors: | Faelber, K, Dietrich, L, Noel, J.K, Wollweber, F, Pfitzner, A.-K, Muehleip, A, Sanchez, R, Kudryashev, M, Chiaruttin, N, Lilie, H, Schlegel, J, Rosenbaum, E, Hessenberger, M, Matthaeus, C, Noe, F, Roux, A, vanderLaan, M, Kuehlbrandt, W, Daumke, O. | | Deposit date: | 2019-01-31 | | Release date: | 2019-07-03 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
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8B7S
 | | Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp | | Descriptor: | Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R. | | Deposit date: | 2022-10-03 | | Release date: | 2022-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol.
Chembiochem, 24, 2023
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8GI2
 | | Cryo-EM structure of Natrinema sp. J7-2 Type IV pilus | | Descriptor: | Natrinema pilin, Orf10 | | Authors: | Sonani, R.R, Kreutzberger, M.A.B, Liu, Y, Krupovic, M, Egelman, E.H. | | Deposit date: | 2023-03-13 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The evolution of archaeal flagellar filaments.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FWC
 | | Collar sheath structure of Agrobacterium phage Milano | | Descriptor: | Collar sheath protein, gp13 | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-20 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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8FWE
 | | Neck structure of Agrobacterium phage Milano, C3 symmetry | | Descriptor: | Collar sheath protein, gp13, Neck 1 protein, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-21 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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4I5M
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | | Authors: | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | | Deposit date: | 2012-11-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
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8FWI
 | | Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiC, ... | | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | | Deposit date: | 2023-01-22 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | From primordial clocks to circadian oscillators.
Nature, 616, 2023
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8FOP
 | | Structure of Agrobacterium tumefaciens bacteriophage Milano curved tail | | Descriptor: | Tail sheath protein, Virion-associated protein | | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | | Deposit date: | 2023-01-03 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
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8FXP
 | | Structure of capsid of Agrobacterium phage Milano | | Descriptor: | Linking protein 1, gp16, Linking protein 2, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-25 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (4.04 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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8FXR
 | | Structure of neck with portal vertex of capsid of Agrobacterium phage Milano | | Descriptor: | Collar sheath protein, gp13, Linking protein 1, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-25 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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6HQE
 | | Cryo-EM of self-assembly peptide filament LRV_M3delta1 | | Descriptor: | peptide LRV_M3delta1 | | Authors: | Osinski, T, Wang, F, Hughes, S.A, Kreutzberger, M.A.B, Conticello, V.P, Egelman, E.H. | | Deposit date: | 2018-09-24 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Ambidextrous helical nanotubes from self-assembly of designed helical hairpin motifs.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4MRO
 | | Human GKRP bound to AMG-5980 and S6P | | Descriptor: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C. | | Deposit date: | 2013-09-17 | | Release date: | 2014-05-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
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4MQU
 | | Human GKRP complexed to AMG-3969 and S6P | | Descriptor: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L. | | Deposit date: | 2013-09-16 | | Release date: | 2014-05-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
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8FQC
 | | Structure of baseplate with receptor binding complex of Agrobacterium phage Milano | | Descriptor: | Baseplate Centerpiece, gp25, Baseplate Central Spike, ... | | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | | Deposit date: | 2023-01-05 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
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8FWG
 | | Structure of neck and portal vertex of Agrobacterium phage Milano, C5 symmetry | | Descriptor: | Collar sheath protein, gp13, Linking protein 1, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-22 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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8FWM
 | | Structure of tail-neck junction of Agrobacterium phage Milano | | Descriptor: | Collar sheath protein, gp13, Tail sheath protein, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-23 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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4UEU
 | | Tyrosine kinase AS - a common ancestor of Src and Abl | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | | Authors: | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | | Deposit date: | 2014-12-18 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
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4QNP
 | | Crystal structure of the 2009 pandemic H1N1 influenza virus neuraminidase with a neutralizing antibody | | 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: | Wan, H.Q, Yang, H, Shore, D.A, Garten, R.J, Couzens, L, Gao, J, Jiang, L.L, Carney, P.J, Villanueva, J, Stevens, J, Eichelberger, M.C. | | Deposit date: | 2014-06-18 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural characterization of a protective epitope spanning A(H1N1)pdm09 influenza virus neuraminidase monomers.
Nat Commun, 6, 2015
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7SZZ
 | | Structure of the smaller diameter PSMalpha3 nanotubes | | Descriptor: | Phenol-soluble modulin PSM-alpha-3 | | Authors: | Beltran, L.C, Kreutzberger, M.A, Wang, S, Egelman, E.H, Conticello, V.P. | | Deposit date: | 2021-11-29 | | Release date: | 2022-05-18 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Phenol-soluble modulins PSM alpha 3 and PSM beta 2 form nanotubes that are cross-alpha amyloids.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4JV9
 | | Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one | | Descriptor: | (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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4JV7
 | | Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one | | Descriptor: | (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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4JVR
 | | Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide | | Descriptor: | (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-26 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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