5L3N
 
 | | D11 bound [N29, S39_PQ]-IGF-II | | Descriptor: | Insulin-like growth factor II | | Authors: | Hexnerova, R. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-10 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
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8ENJ
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6V1W
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8D9M
 | | Cryo-EM of the OmcZ nanowires from Geobacter sulfurreducens | | Descriptor: | Cytochrome c, HEME C | | Authors: | Wang, F, Chan, C.H, Mustafa, K, Hochbaum, A.I, Bond, D.R, Egelman, E.H. | | Deposit date: | 2022-06-10 | | Release date: | 2022-09-14 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of Geobacter OmcZ filaments suggests extracellular cytochrome polymers evolved independently multiple times.
Elife, 11, 2022
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8VXF
 | | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | | Descriptor: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | | Authors: | Thompson, A.A, Milligan, C.M, Sharma, S. | | Deposit date: | 2024-02-04 | | Release date: | 2024-05-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
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8DHU
 | | Crystal structure of LARP-DM15 from Drosophila melanogaster bound to m7GpppC | | Descriptor: | La-related protein 1, MAGNESIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | Authors: | Nguyen, E, Berman, A.J. | | Deposit date: | 2022-06-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Comparative analysis of the LARP1 C-terminal DM15 region through Coelomate evolution.
Plos One, 19, 2024
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8DIO
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6VLA
 | | Hs05 - Intragenic antimicrobial peptide | | Descriptor: | Intragenic antimicrobial peptide | | Authors: | Santos, M.A, Silva, E.M.C, Brand, G.D, Oliveira, A.L. | | Deposit date: | 2020-01-23 | | Release date: | 2020-12-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Characterization of novel human Intragenic Antimicrobial Peptides, incorporation and release studies from ureasil-polyether hybrid matrix
Materials Science and Engineering C, Materials for Biological Applications, 119, 2020
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7AG5
 | | Structure of the Laspartomycin C double mutant G4D D-allo-Thr9D-Dap in complex with Geranyl phosphate | | Descriptor: | (~{E})-13-methyltetradec-2-enoic acid, CALCIUM ION, Geranyl phosphate, ... | | Authors: | Zeronian, M.R, Pearce, N.M, Wood, T.M, Martin, N.I, Janssen, B.J.C. | | Deposit date: | 2020-09-21 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Mechanistic insights into the C55-P targeting lipopeptide antibiotics revealed by structure-activity studies and high-resolution crystal structures
Chem Sci, 13, 2022
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6LR9
 | | HSP90 in complex with Debio0932 | | Descriptor: | 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine, GLYCEROL, Heat shock protein HSP 90-alpha | | Authors: | Cao, H.L. | | Deposit date: | 2020-01-15 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Complex crystal structure determination and anti-non-small-cell lung cancer activity of the Hsp90 N inhibitor Debio0932.
Acta Crystallogr D Struct Biol, 77, 2021
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7NG8
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6X40
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus picrotoxin | | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
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8PM0
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4X18
 | | [Ru(TAP)2(dppz-11-Me)]2+ bound to d(TCGGCGCCGA) | | Descriptor: | (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium, BARIUM ION, CHLORIDE ION, ... | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2014-11-24 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-dppz Complexes to DNA
Organometallics, 2015
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4X1A
 | | Lambda-[Ru(TAP)2(dppz-10,12-Me)]2+ bound to d(TCGGCGCCGA) | | Descriptor: | (10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium, BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3') | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2014-11-24 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-dppz Complexes to DNA
Organometallics, 2015
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8B3X
 | | High resolution crystal structure of dimeric SUDV VP40 | | Descriptor: | Matrix protein VP40 | | Authors: | Werner, A.-D, Norris, M, Saphire, E.O, Becker, S. | | Deposit date: | 2022-09-17 | | Release date: | 2023-06-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.531 Å) | | Cite: | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
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8V80
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-TQS | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-04 | | Release date: | 2024-02-21 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.34 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8V88
 | | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and GAT107 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-05 | | Release date: | 2024-02-21 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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8V86
 | | Alpha7-nicotinic acetylcholine receptor bound to GAT107 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | Deposit date: | 2023-12-04 | | Release date: | 2024-02-21 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (2.47 Å) | | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
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7NH8
 | | Crystal structure of human carbonic anhydrase II with N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide | | Descriptor: | Carbonic anhydrase 2, N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide, ZINC ION | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2021-02-10 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.369 Å) | | Cite: | Synthesis of Azasugar-Sulfonamide conjugates and their Evaluation as Inhibitors of Carbonic Anhydrases: the Azasugar Approach to Selectivity
Eur.J.Org.Chem., 2021
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8SSO
 | | AurA bound to danusertib and inhibiting monobody Mb2 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aurora kinase A, ... | | Authors: | Ludewig, H, Kim, C, Kern, D. | | Deposit date: | 2023-05-08 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8SSP
 | | AurA bound to danusertib and activating monobody Mb1 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Ludewig, H, Kim, C, Kern, D. | | Deposit date: | 2023-05-08 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6PBD
 | | DNA N6-Adenine Methyltransferase CcrM In Complex with Double-Stranded DNA Oligonucleotide Containing Its Recognition Sequence GAATC | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*TP*CP*AP*AP*TP*GP*AP*AP*TP*CP*CP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*GP*GP*AP*TP*TP*CP*AP*TP*TP*GP*AP*AP*TP*C)-3'), ... | | Authors: | Horton, J.R, Cheng, X, Woodcock, C.B. | | Deposit date: | 2019-06-13 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | The cell cycle-regulated DNA adenine methyltransferase CcrM opens a bubble at its DNA recognition site.
Nat Commun, 10, 2019
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7OSL
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8R3K
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