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7M4I
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BU of 7m4i by Molmil
DNA Polymerase Lambda, dCTP:At Mn2+ Product State Ternary Complex, 420 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7M48
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BU of 7m48 by Molmil
DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 960 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
8VMN
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BU of 8vmn by Molmil
H3K4me3 nucleosome bound to PRC2_AJ1-450
Descriptor: DNA (157-MER), Histone H2A, Histone H2B, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-22
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
6W39
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BU of 6w39 by Molmil
Structure of unphosphorylated IRE1 in complex with G-1749
Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1, ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
Authors:Ferri, E, Wang, W, Joachim, R, Mortara, K.
Deposit date:2020-03-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.736 Å)
Cite:Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
8VO0
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BU of 8vo0 by Molmil
H3K36me3-modified nucleosome bound to PRC2_AJ1-450 with histone H3 tail disengaged
Descriptor: DNA (157-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-14
Release date:2025-01-22
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VH6
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BU of 8vh6 by Molmil
[F:3Au+:F] Metal-mediated DNA base pair with 2-thio-thymidine in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*(2SV)P*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(2SV)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Vecchioni, S, Lu, B.
Deposit date:2023-12-31
Release date:2025-01-15
Method:X-RAY DIFFRACTION (5.86 Å)
Cite:Metal-mediated 2-thio-thymidine DNA base pairs
To Be Published
7M4L
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BU of 7m4l by Molmil
DNA Polymerase Lambda, TTPaS:At Mn2+ Product State Ternary Complex, 60 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*(YQS))-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7M66
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BU of 7m66 by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Bose, S, Steussy, C.N.
Deposit date:2021-03-25
Release date:2022-09-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor.
Commun Biol, 6, 2023
6W4G
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BU of 6w4g by Molmil
Hepatitis C virus polymerase NS5B with RO inhibitor for SAR studies
Descriptor: 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile, NS5B
Authors:Harris, S.F.
Deposit date:2020-03-10
Release date:2020-11-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization.
J.Chem.Inf.Model., 60, 2020
8VHZ
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BU of 8vhz by Molmil
Cryo EM structure of a soybean CesA1 homotrimer
Descriptor: Cellulose synthase
Authors:Ho, R, Palliniti, P, Zimmer, J.
Deposit date:2024-01-02
Release date:2025-01-15
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure, function and assembly of soybean primary cell wall cellulose synthases.
Elife, 13, 2025
5VMB
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BU of 5vmb by Molmil
Crystal structure of a glycine hydroxymethyltransferase from Acinetobacter baumannii
Descriptor: Serine hydroxymethyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-27
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a glycine hydroxymethyltransferase from Acinetobacter baumannii
To Be Published
7MAZ
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BU of 7maz by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM139
Descriptor: 3C-like proteinase, 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM139
To Be Published
7MB3
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BU of 7mb3 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM145
Descriptor: 3C-like proteinase, N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM145
To Be Published
5VMM
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BU of 5vmm by Molmil
Staphylococcus aureus IsdB bound to human hemoglobin
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated cell wall-anchored protein, ...
Authors:Bowden, C.F, Chan, A.C, Murphy, M.E.
Deposit date:2017-04-27
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure-function analyses reveal key features in Staphylococcus aureus IsdB-associated unfolding of the heme-binding pocket of human hemoglobin.
J. Biol. Chem., 293, 2018
7MAT
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BU of 7mat by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR
Descriptor: 3C-like proteinase, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR
To Be Published
8VVN
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BU of 8vvn by Molmil
Cryo-EM structure of a type I ZorAB complex from Shewanella sp. strain ANA-3
Descriptor: Chemotaxis protein MotB-related protein, MotA/TolQ/ExbB proton channel domain-containing protein, SODIUM ION
Authors:Deme, J.C, Lea, S.M.
Deposit date:2024-01-31
Release date:2025-02-05
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Modularity of Zorya defense systems during phage inhibition.
Nat Commun, 16, 2025
6W58
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BU of 6w58 by Molmil
hPGDS complexed with an aza-quinoline
Descriptor: 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase
Authors:Elkins, P.A, Ward, P.
Deposit date:2020-03-12
Release date:2020-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure.
Bioorg.Med.Chem., 28, 2020
7MB2
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BU of 7mb2 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM144
Descriptor: 3C-like proteinase, 4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM144
To Be Published
8VNV
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BU of 8vnv by Molmil
PRC2_AJ1-450 bound to H3K36me3 with histone H3 tail engaged
Descriptor: DNA (26-MER), DNA (26-mer), EED, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-22
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
5ILW
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BU of 5ilw by Molmil
Crystal structure of the complex of type 1 Ribosome inactivating protein from Momordica balsamina with Uridine at 1.97 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein, ...
Authors:Singh, P.K, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2016-03-05
Release date:2016-03-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein from Momordica balsamina with uracil and uridine.
Proteins, 87, 2019
6VXE
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BU of 6vxe by Molmil
Crystal structure of hydroxyproline dehydratase (HypD) from Clostridioides difficile with substrate trans-4-hydroxy-L-proline bound
Descriptor: 4-HYDROXYPROLINE, Trans-4-hydroxy-L-proline dehydratase
Authors:Backman, L.R.F, Drennan, C.L.
Deposit date:2020-02-21
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.464 Å)
Cite:Molecular basis for catabolism of the abundant metabolitetrans-4-hydroxy-L-proline by a microbial glycyl radical enzyme.
Elife, 9, 2020
5IM4
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BU of 5im4 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I52-32
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, Phosphotransferase system, mannose/fructose-specific component IIA
Authors:Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
Deposit date:2016-03-05
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
8VLR
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BU of 8vlr by Molmil
Cryo-EM structure of native H2AK119bu nucleosome at 2.6
Descriptor: DNA (136-MER), Histone H2A type 1-B/E, Histone H2B type 1-A, ...
Authors:Wang, Y, Zhang, K.
Deposit date:2024-01-12
Release date:2025-01-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Role of histone variants H2BC1 and H2AZ.2 in H2AK119ub nucleosome organization and Polycomb gene silencing
To Be Published
7MB1
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BU of 7mb1 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM143
Descriptor: 3C-like proteinase, 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM143
To Be Published
8VML
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BU of 8vml by Molmil
PRC2_AJ1-450 bound to H3K4me3
Descriptor: AEPB2, EED, EZH2, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-15
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025

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PDB entries from 2025-10-22

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