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9LE6
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BU of 9le6 by Molmil
Composite map of UCC118 Rool RNA
Descriptor: UCC118 Rool RNA
Authors:Zhang, K, Li, S.
Deposit date:2025-01-07
Release date:2025-09-10
Last modified:2025-10-29
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Structural insights into higher-order natural RNA-only multimers.
Nat.Struct.Mol.Biol., 32, 2025
9M78
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BU of 9m78 by Molmil
Consensus map of UCC118 Rool RNA at 2.26-angstrom resolution
Descriptor: UCC118 Rool RNA
Authors:Zhang, S, Yi, R, An, L, Li, S, Zhang, K.
Deposit date:2025-03-10
Release date:2025-09-10
Last modified:2025-10-29
Method:ELECTRON MICROSCOPY (2.26 Å)
Cite:Structural insights into higher-order natural RNA-only multimers.
Nat.Struct.Mol.Biol., 32, 2025
9LE5
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BU of 9le5 by Molmil
Focused asymmetric unit of UCC118 Rool RNA
Descriptor: UCC118 Rool RNA
Authors:Zhang, K, Li, S.
Deposit date:2025-01-07
Release date:2025-09-10
Last modified:2025-10-29
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Structural insights into higher-order natural RNA-only multimers.
Nat.Struct.Mol.Biol., 32, 2025
9PZH
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BU of 9pzh by Molmil
One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Werther, R, Stoddard, B.L.
Deposit date:2025-08-11
Release date:2025-09-10
Method:X-RAY DIFFRACTION (2.356 Å)
Cite:Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges
To Be Published
4U55
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BU of 4u55 by Molmil
Crystal structure of Cryptopleurine bound to the yeast 80S ribosome
Descriptor: (14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline, 18S ribosomal RNA, 25S ribosomal RNA, ...
Authors:Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
Deposit date:2014-07-24
Release date:2014-10-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
9R59
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BU of 9r59 by Molmil
Crystal structure of MAPKAPK2 with a covalent compound GCL334 targeting lysine
Descriptor: 5-[3-[bis(oxidanyl)-$l^{3}-sulfanyl]oxy-4-chloranyl-phenyl]-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide, MAP kinase-activated protein kinase 2
Authors:Wang, G.Q, Hillebrand, L, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2025-05-08
Release date:2025-07-30
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:A twist in the tale: shifting from covalent targeting of a tyrosine in JAK3 to a lysine in MK2.
Rsc Med Chem, 16, 2025
4U4Z
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BU of 4u4z by Molmil
Crystal structure of Phyllanthoside bound to the yeast 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ...
Authors:Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
Deposit date:2014-07-24
Release date:2014-10-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
4U4U
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BU of 4u4u by Molmil
Crystal structure of Lycorine bound to the yeast 80S ribosome
Descriptor: (1S,2S,12bS,12cS)-2,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 18S ribosomal RNA, 25S ribosomal RNA, ...
Authors:Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
Deposit date:2014-07-24
Release date:2014-10-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
8F42
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BU of 8f42 by Molmil
Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands
Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*TP*TP*AP*AP*GP*GP*AP*AP*TP*TP*CP*GP*C)-3')
Authors:Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C.
Deposit date:2022-11-10
Release date:2023-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions.
J.Am.Chem.Soc., 145, 2023
8WL5
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BU of 8wl5 by Molmil
X-ray structure of Enterobacter cloacae allose-binding protein in free form
Descriptor: 1,2-ETHANEDIOL, Allose ABC transporter
Authors:Kamitori, S.
Deposit date:2023-09-29
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:X-ray structures of Enterobacter cloacae allose-binding protein in complexes with monosaccharides demonstrate its unique recognition mechanism for high affinity to allose.
Biochem.Biophys.Res.Commun., 682, 2023
360D
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BU of 360d by Molmil
STRUCTURE OF 2,5-BIS{[4-(N-ETHYLAMIDINO)PHENYL]}FURAN COMPLEXED TO 5'-D(CPGPCPGPAPAPTPTPCPGPCPG)-3'. A MINOR GROOVE DRUG COMPLEX, SHOWING PATTERNS OF GROOVE HYDRATION
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium
Authors:Guerri, A, Simpson, I.J, Neidle, S.
Deposit date:1997-10-29
Release date:1998-07-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Visualisation of extensive water ribbons and networks in a DNA minor-groove drug complex.
Nucleic Acids Res., 26, 1998
8I43
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BU of 8i43 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3GC-uucg
Authors:Ichijo, R, Kamimura, T, Kawai, G.
Deposit date:2023-01-18
Release date:2023-03-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I44
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BU of 8i44 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3AU-uucg
Authors:Ichijo, R, Kamimura, T, Kawai, G.
Deposit date:2023-01-18
Release date:2023-03-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I46
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BU of 8i46 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3AU-uucg
Authors:Ichijo, R, Kamimura, T, Kawai, G.
Deposit date:2023-01-18
Release date:2023-03-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I45
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BU of 8i45 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3GC-uucg
Authors:Ichijo, R, Kamimura, T, Kawai, G.
Deposit date:2023-01-18
Release date:2023-03-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
9V4G
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BU of 9v4g by Molmil
Prenyltransferase Ord1 wild type
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, prenyltransferase
Authors:Oshiro, T, Uehara, S, Ito, T, Tanaka, Y, Kodera, Y, Matsui, T.
Deposit date:2025-05-23
Release date:2025-10-01
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Activity Relationship of an All-alpha-helical Prenyltransferase Reveals the Mechanism of Indole Prenylation.
Biochemistry, 64, 2025
9U53
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BU of 9u53 by Molmil
Crystal structure of the CYP154C2 Q230A from Streptomyces avermitilis
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ...
Authors:Xu, L.H.
Deposit date:2025-03-20
Release date:2025-09-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of CYP154C2 Q230A from Streptomyces avermitilis
To Be Published
9OCF
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BU of 9ocf by Molmil
2.73A cryo-EM structure of the Measles Virus L-P in complex with ERdRp-0519
Descriptor: 2-methyl-~{N}-[4-[(2~{S})-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide, Phosphoprotein, RNA-directed RNA polymerase L
Authors:Liu, B, Wang, D, Yang, G.
Deposit date:2025-04-24
Release date:2025-09-03
Last modified:2025-10-29
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural basis of measles virus polymerase inhibition by nonnucleoside inhibitor ERDRP-0519.
Nat Commun, 16, 2025
9Q7W
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BU of 9q7w by Molmil
One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (26-MER), ...
Authors:Werther, R, Stoddard, B.L.
Deposit date:2025-08-25
Release date:2025-09-10
Method:X-RAY DIFFRACTION (2.537 Å)
Cite:Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges
To Be Published
9RM7
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BU of 9rm7 by Molmil
Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0036543
Descriptor: (2~{S})-~{N}-[2,2-bis(fluoranyl)ethyl]-2-(2,3-dihydro-1~{H}-isoindol-5-ylamino)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamide, DIMETHYL SULFOXIDE, Serine protease subunit NS2B,Serine protease NS3
Authors:Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Fearon, D, von Delft, F.
Deposit date:2025-06-17
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0036543
To Be Published
9R6O
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BU of 9r6o by Molmil
Local refinement of the N-terminal domain (NTD) and receptor binding domain (RBD) from the Porcine hemagglutinating encephalomyelitis virus (PHEV) Spike in the closed conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Fernandez, I, Rey, F.A.
Deposit date:2025-05-13
Release date:2025-08-06
Last modified:2025-10-22
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Dipeptidase 1 is a functional receptor for a porcine coronavirus.
Nat Microbiol, 2025
9OX9
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BU of 9ox9 by Molmil
Cryo-EM structure of S. Mansoni p97 bound to CB-5083
Descriptor: 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, vesicle-fusing ATPase
Authors:Stephens, D.R, Han, Y, Chen, Z, Collins, J.J, Fung, H.Y.J.
Deposit date:2025-06-03
Release date:2025-08-13
Last modified:2025-09-10
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:A genome-scale drug discovery pipeline uncovers therapeutic targets and a unique p97 allosteric binding site in Schistosoma mansoni.
Proc.Natl.Acad.Sci.USA, 122, 2025
9Y12
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BU of 9y12 by Molmil
Crystal Structure of N-Acetyl Transferase Domain-Containing Protein from Bacteroides fragilis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Acetyltransferase (GNAT) family protein, ...
Authors:Kim, Y, Bigelow, L, Clancy, L, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2025-08-29
Release date:2025-09-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of N-Acetyl Transferase Domain-Containing Protein from Bacteroides fragilis
To Be Published
9OCE
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BU of 9oce by Molmil
2.48A cryo-EM structure of the Measles Virus L-P-C in complex with ERdRp-0519
Descriptor: 2-methyl-~{N}-[4-[(2~{S})-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide, Phosphoprotein, Protein C, ...
Authors:Liu, B, Wang, D, Yang, G.
Deposit date:2025-04-24
Release date:2025-09-03
Last modified:2025-10-29
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Structural basis of measles virus polymerase inhibition by nonnucleoside inhibitor ERDRP-0519.
Nat Commun, 16, 2025
9RJR
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BU of 9rjr by Molmil
SARS-CoV-2 with a bound inhibitor
Descriptor: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5, SODIUM ION, ...
Authors:Mac Sweeney, A.
Deposit date:2025-06-12
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:SARS-CoV-2 with a bound inhibitor
To Be Published

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PDB entries from 2025-11-05

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