PDB: 74387 resultsInfo pagesStatus searchChemie searchBIRD

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9FT0	Yeast 20S proteasome in complex with epoxyketone inhibitor 42 Descriptor: (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... Authors: Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. Deposit date: 2024-06-23 Release date: 2024-07-10 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
9FSV	Yeast 20S proteasome with human beta2i (1-53) in complex with epoxyketone inhibitor 42 Descriptor: (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... Authors: Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. Deposit date: 2024-06-22 Release date: 2024-07-17 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
9FST	Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor LU-001i Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... Authors: Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. Deposit date: 2024-06-21 Release date: 2024-07-17 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites To Be Published
9IJ0	Cryo-EM Structure of MILI-piRNA-target (8-nt) Descriptor: MAGNESIUM ION, Piwi-like protein 2, RNA (26-MER), ... Authors: Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z. Deposit date: 2024-06-21 Release date: 2024-11-13 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Structural insights into RNA cleavage by PIWI Argonaute Nature, 2024
9IJ1	Cryo-EM Structure of MILI-piRNA-target (22-nt, bilobed) Descriptor: MAGNESIUM ION, Piwi-like protein 2, RNA (26-MER), ... Authors: Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z. Deposit date: 2024-06-21 Release date: 2024-11-13 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Structural insights into RNA cleavage by PIWI Argonaute Nature, 2024
9IJ3	Cryo-EM Structure of MILI-piRNA-target (26-nt) Descriptor: MANGANESE (II) ION, Piwi-like protein 2, RNA (25-MER), ... Authors: Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z. Deposit date: 2024-06-21 Release date: 2024-11-13 Method: ELECTRON MICROSCOPY (2.6 Å) Cite: Structural insights into RNA cleavage by PIWI Argonaute Nature, 2024
9IJ2	Cryo-EM Structure of MILI-piRNA-target (22-nt, comma) Descriptor: Piwi-like protein 2, RNA (5'-R(P*CP*AP*AP*GP*UP*UP*UP*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*A)-3'), RNA (5'-R(P*UP*UP*AP*CP*CP*AP*UP*CP*AP*AP*CP*AP*UP*GP*GP*AP*AP*AP*CP*UP*UP*G)-3') Authors: Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z. Deposit date: 2024-06-21 Release date: 2024-11-13 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Structural insights into RNA cleavage by PIWI Argonaute Nature, 2024
9IJ5	Cryo-EM Structure of MILI(K853A)-piRNA-target Descriptor: MAGNESIUM ION, Piwi-like protein 2, RNA (25-MER), ... Authors: Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z. Deposit date: 2024-06-21 Release date: 2024-11-13 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Structural insights into RNA cleavage by PIWI Argonaute Nature, 2024
9IIZ	Cryo-EM Structure of EfPiwi-piRNA-target (25-nt, comma) Descriptor: Piwi, RNA (25-MER), RNA (5'-R(P*AP*GP*CP*CP*AP*AP*GP*UP*UP*UP*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*A)-3') Authors: Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z. Deposit date: 2024-06-21 Release date: 2024-11-13 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Structural insights into RNA cleavage by PIWI Argonaute Nature, 2024
9IIY	Cryo-EM Structure of EfPiwi-piRNA-target (25-nt, bilobed) Descriptor: Piwi, RNA (5'-R(P*CP*GP*UP*CP*UP*AP*UP*AP*CP*AP*AP*CP*CP*GP*AP*UP*CP*AP*GP*CP*U)-3'), RNA (5'-R(P*UP*AP*GP*CP*AP*GP*AP*UP*CP*GP*GP*UP*UP*GP*UP*AP*UP*AP*GP*AP*CP*G)-3') Authors: Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z. Deposit date: 2024-06-21 Release date: 2024-11-13 Method: ELECTRON MICROSCOPY (3 Å) Cite: Structural insights into RNA cleavage by PIWI Argonaute Nature, 2024
9CC0	Human Mitochondrial LONP1 Degrading Casein, ATP-bound closed form Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Bound substrate segment undergoing translocation and subsequent degradation, ... Authors: Mindrebo, J.T, Lander, G.C. Deposit date: 2024-06-20 Release date: 2024-08-07 Method: ELECTRON MICROSCOPY (3.31 Å) Cite: Structural and mechanistic studies on human LONP1 redefine the hand-over-hand translocation mechanism. Biorxiv, 2024
9CC3	Human Mitochondrial LONP1 Stall State + casein Descriptor: ADENOSINE-5'-DIPHOSPHATE, Endogenous Co-purified substrate modeled as unknown residues, Lon protease homolog, ... Authors: Mindrebo, J.T, Lander, G.C. Deposit date: 2024-06-20 Release date: 2024-08-07 Method: ELECTRON MICROSCOPY (3.23 Å) Cite: Structural and mechanistic studies on human LONP1 redefine the hand-over-hand translocation mechanism. Biorxiv, 2024
9CBS	Crystal structure of Chaetomium thermophilum Gcn2 HisRS-like domain, catalytic domain Descriptor: non-specific serine/threonine protein kinase Authors: Zhang, J. Deposit date: 2024-06-20 Release date: 2024-08-21 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.69 Å) Cite: Gcn2 structurally mimics and functionally repurposes the HisRS enzyme for the integrated stress response. Proc.Natl.Acad.Sci.USA, 121, 2024
9CBE	Structure of a type III antifreeze protein isoform HPLC12 re-refined using standard protocols Descriptor: Type-3 ice-structuring protein HPLC 12 Authors: Wlodawer, A, Dauter, Z. Deposit date: 2024-06-19 Release date: 2024-07-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: In some cases more complicated approaches to refinement of macromolecular structures are not necessary. Iucrj, 11, 2024
9CBD	Pikromycin Thioesterase Domain Descriptor: Narbonolide/10-deoxymethynolide synthase PikA4, module 6 Authors: McCullough, T.M, Smith, J.L. Deposit date: 2024-06-19 Release date: 2024-09-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation Acs Catalysis, 14, 2024
9FR2	CDK2 in complex with WEIZ-WX-04-001 Descriptor: 4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride, Cyclin-dependent kinase 2 Authors: Wang, G.Q, Liu, Y.H, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2024-06-18 Release date: 2024-09-11 Method: X-RAY DIFFRACTION (1.6 Å) Cite: CDK2 in complex with WEIZ-WX-04-001 To Be Published
9CAY	Ternary structure of Plasmodium falciparum apicoplast DNA polymerase (exo-minus) Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*GP*TP*GP*AP*GP*GP*CP*AP*TP*CP*CP*GP*TP*AP*GP*(2DA))-3'), DNA (5'-D(P*CP*AP*GP*CP*TP*CP*TP*AP*CP*GP*GP*AP*TP*GP*CP*CP*TP*CP*AP*CP*A)-3'), ... Authors: Lo, C.-Y, Gao, Y. Deposit date: 2024-06-18 Release date: 2024-11-06 Last modified: 2024-11-13 Method: ELECTRON MICROSCOPY (3.17 Å) Cite: Cryo-EM structures of the Plasmodium falciparum apicoplast DNA polymerase. J.Mol.Biol., 2024
8ZYD	Cryo-EM structure of uropathogenic Escherichia coli CysK:CdiA:tRNA complex B Descriptor: Cysteine synthase A, MAGNESIUM ION, tRNA nuclease CdiA, ... Authors: Feng, Z, Yashiro, Y, Tomita, K. Deposit date: 2024-06-17 Release date: 2024-08-21 Method: ELECTRON MICROSCOPY (3.04 Å) Cite: Mechanism of activation of contact-dependent growth inhibition tRNase toxin by the amino acid biogenesis factor CysK in the bacterial competition system. To Be Published
9CAI	High-resolution C. elegans 80S ribosome structure - class 1 Descriptor: 18S rRNA, 28S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... Authors: Sehgal, E, Serrao, V.H.B, Arribere, J. Deposit date: 2024-06-17 Release date: 2024-09-11 Last modified: 2024-10-30 Method: ELECTRON MICROSCOPY (2.59 Å) Cite: High-resolution reconstruction of a C. elegans ribosome sheds light on evolutionary dynamics and tissue specificity. Rna, 30, 2024
8ZYC	Cryo-EM structure of uropathogenic Escherichia coli CysK:CdiA:tRNA complex A Descriptor: Cysteine synthase A, MAGNESIUM ION, tRNA nuclease CdiA, ... Authors: Feng, Z, Yashiro, Y, Tomita, K. Deposit date: 2024-06-17 Release date: 2024-08-21 Method: ELECTRON MICROSCOPY (2.99 Å) Cite: Mechanism of activation of contact-dependent growth inhibition tRNase toxin by the amino acid biogenesis factor CysK in the bacterial competition system. To Be Published
9CA1	Human TOP3B-TDRD3 core complex in DNA religation state Descriptor: DNA (5'-D(*AP*TP*T)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*AP*A)-3'), DNA topoisomerase 3-beta-1, ... Authors: Yang, X, Chen, X, Yang, W, Pommier, Y. Deposit date: 2024-06-16 Release date: 2024-07-17 Last modified: 2024-10-30 Method: ELECTRON MICROSCOPY (3.26 Å) Cite: Structural Insights into human Topoisomerase 3-beta DNA and RNA catalytic cycles and topo-gate dynamics To Be Published
9C9Y	Human TOP3B-TDRD3 core complex in DNA pre-cleavage state Descriptor: DNA (5'-D(P*AP*CP*TP*AP*AP*AP*AP*T)-3'), DNA topoisomerase 3-beta-1, MANGANESE (II) ION, ... Authors: Yang, X, Chen, X, Yang, W, Pommier, Y. Deposit date: 2024-06-16 Release date: 2024-07-17 Method: ELECTRON MICROSCOPY (3.35 Å) Cite: Structural Insights into human Topoisomerase 3-beta DNA and RNA catalytic cycles and topo-gate dynamics To Be Published
9CA0	Human TOP3B-TDRD3 core complex in DNA pre-cleavage state Descriptor: DNA (5'-D(*AP*TP*T)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*AP*A)-3'), DNA topoisomerase 3-beta-1, ... Authors: Yang, X, Chen, X, Yang, W, Pommier, Y. Deposit date: 2024-06-16 Release date: 2024-07-17 Last modified: 2024-10-30 Method: ELECTRON MICROSCOPY (3.48 Å) Cite: Structural Insights into human Topoisomerase 3-beta DNA and RNA catalytic cycles and topo-gate dynamics To Be Published
9C9V	HBV capsid with compound 3i Descriptor: Capsid protein, N'-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-N-[(1R)-1-(1-oxo-1,2-dihydroisoquinolin-4-yl)ethyl]urea Authors: Olland, A.M, Suto, R.K, Fontano, E, Colussi, T. Deposit date: 2024-06-16 Release date: 2024-09-25 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Rational Design, Synthesis, and Structure-Activity Relationship of a Novel Isoquinolinone-Based Series of HBV Capsid Assembly Modulators Leading to the Identification of Clinical Candidate AB-836. J.Med.Chem., 67, 2024
9FQ2	Poliovirus 3C protease in H32 spacegroup Descriptor: Protease 3C Authors: Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. Deposit date: 2024-06-14 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.37 Å) Cite: Poliovirus 3C protease in H32 spacegroup To Be Published

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