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8Q0S
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BU of 8q0s by Molmil
X-ray structure of the single chain monellin derivative MNEI
Descriptor: ACETATE ION, GLYCEROL, Monellin chain B,Monellin chain A, ...
Authors:Ferraro, G, Merlino, A, Lucignano, R, Picone, D.
Deposit date:2023-07-29
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural insights and aggregation propensity of a super-stable monellin mutant: A new potential building block for protein-based nanostructured materials.
Int.J.Biol.Macromol., 254, 2024
8Q0R
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BU of 8q0r by Molmil
X-ray structure of MNEI mutant Mut9 (E23A, C41A, Y65R, S76Y)
Descriptor: ACETATE ION, Monellin chain B,Monellin chain A, SULFATE ION
Authors:Ferraro, G, Merlino, A, Lucignano, R, Picone, D.
Deposit date:2023-07-29
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights and aggregation propensity of a super-stable monellin mutant: A new potential building block for protein-based nanostructured materials.
Int.J.Biol.Macromol., 254, 2024
8Q0N
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BU of 8q0n by Molmil
HACE1 in complex with RAC1 Q61L
Descriptor: E3 ubiquitin-protein ligase HACE1, GUANOSINE-5'-TRIPHOSPHATE, Ras-related C3 botulinum toxin substrate 1, ...
Authors:Wolter, M, Duering, J, Dienemann, C, Lorenz, S.
Deposit date:2023-07-28
Release date:2024-01-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural mechanisms of autoinhibition and substrate recognition by the ubiquitin ligase HACE1.
Nat.Struct.Mol.Biol., 31, 2024
8PYH
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BU of 8pyh by Molmil
Crystal structure of the Orange Carotenoid Protein 2 (OCP2) from Crinalium epipsammum PCC 9333
Descriptor: ACETATE ION, Orange carotenoid-binding protein, beta,beta-caroten-4-one
Authors:Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Maksimov, E.G, Popov, V.O, Sluchanko, N.N.
Deposit date:2023-07-25
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural framework for the understanding spectroscopic and functional signatures of the cyanobacterial Orange Carotenoid Protein families.
Int.J.Biol.Macromol., 254, 2024
8PWB
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Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA6)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PWA
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BU of 8pwa by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA4)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, ACETATE ION, MAGNESIUM ION, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PW9
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Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA1)
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol, ACETATE ION, MAGNESIUM ION, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PW8
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BU of 8pw8 by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA2)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PVM
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BU of 8pvm by Molmil
formaldehyde-inhibited [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299D
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FORMYL GROUP, ...
Authors:Duan, J, Hofmann, E, Happe, T.
Deposit date:2023-07-18
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Insights into the Molecular Mechanism of Formaldehyde Inhibition of [FeFe]-Hydrogenases.
J.Am.Chem.Soc., 145, 2023
8PPZ
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BU of 8ppz by Molmil
Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, CALCIUM ION, ...
Authors:Meyners, C, Deutscher, R.C.E, Hausch, F.
Deposit date:2023-07-10
Release date:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Chemrxiv, 2023
8PP7
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BU of 8pp7 by Molmil
human RYBP-PRC1 bound to mononucleosome
Descriptor: DNA (215-mer), E3 ubiquitin-protein ligase RING2, Histone H2A, ...
Authors:Ciapponi, M, Benda, C, Mueller, J.
Deposit date:2023-07-06
Release date:2024-03-27
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural basis of the histone ubiquitination read-write mechanism of RYBP-PRC1.
Nat.Struct.Mol.Biol., 2024
8PP6
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BU of 8pp6 by Molmil
human RYBP-PRC1 bound to H2AK118ub1 nucleosome
Descriptor: DNA (215-MER), Histone H2A, Histone H2B, ...
Authors:Ciapponi, M, Benda, C, Mueller, J.
Deposit date:2023-07-06
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis of the histone ubiquitination read-write mechanism of RYBP-PRC1.
Nat.Struct.Mol.Biol., 2024
8PKJ
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BU of 8pkj by Molmil
Cryo-EM structure of the nucleosome containing Nr5a2 motif at SHL+5.5
Descriptor: DNA, Histone H2A, Histone H2B, ...
Authors:Kobayashi, W, Sappler, A, Bollschweiler, D, Kummecke, M, Basquin, J, Arslantas, E, Ruangroengkulrith, S, Hornberger, R, Duderstadt, K, Tachibana, K.
Deposit date:2023-06-26
Release date:2024-02-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Nucleosome-bound NR5A2 structure reveals pioneer factor mechanism by DNA minor groove anchor competition.
Nat.Struct.Mol.Biol., 2024
8PKI
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BU of 8pki by Molmil
Cryo-EM structure of NR5A2-nucleosome complex SHL+5.5
Descriptor: DNA, Histone H2A, Histone H2B type 1-C/E/G, ...
Authors:Kobayashi, W, Sappler, A, Bollschweiler, D, Kummecke, M, Basquin, J, Arslantas, E, Ruangroengkulrith, S, Hornberger, R, Duderstadt, K, Tachibana, K.
Deposit date:2023-06-26
Release date:2024-02-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Nucleosome-bound NR5A2 structure reveals pioneer factor mechanism by DNA minor groove anchor competition.
Nat.Struct.Mol.Biol., 2024
8PFE
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BU of 8pfe by Molmil
Crystal Structure of an Hexavariant of the b1 Domain of Human Neuropilin-1 in Complex with the KDKPPR Peptide
Descriptor: ACETATE ION, LYS-ASP-LYS-PRO-PRO-ARG, Neuropilin-1
Authors:Jelsch, C, Favier, F, Didierjean, C.
Deposit date:2023-06-15
Release date:2023-08-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand.
Molecules, 28, 2023
8PEP
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BU of 8pep by Molmil
H3K36me2 nucleosome-LEDGF/p75 PWWP domain complex - pose 2
Descriptor: Histone H2A, Histone H2B 1.1, Histone H3, ...
Authors:Koutna, E, Kouba, T, Veverka, V.
Deposit date:2023-06-14
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
8PEO
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BU of 8peo by Molmil
H3K36me2 nucleosome-LEDGF/p75 PWWP domain complex
Descriptor: (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid, Histone H2A, Histone H2B 1.1, ...
Authors:Koutna, E, Kouba, T, Veverka, V.
Deposit date:2023-06-14
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
8PEJ
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BU of 8pej by Molmil
CjGH35 with a Galactosidase Activity-Based Probe
Descriptor: (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Beta-galactosidase, ...
Authors:Offen, W.A, Davies, G.J.
Deposit date:2023-06-14
Release date:2023-10-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The development of a broad-spectrum retaining beta-exo-galactosidase activity-based probe.
Org.Biomol.Chem., 21, 2023
8PC6
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BU of 8pc6 by Molmil
H3K36me3 nucleosome-LEDGF/p75 PWWP domain complex - pose 2
Descriptor: Histone H2A, Histone H2B 1.1, Histone H3, ...
Authors:Koutna, E, Kouba, T, Veverka, V.
Deposit date:2023-06-09
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
8PC5
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BU of 8pc5 by Molmil
H3K36me3 nucleosome-LEDGF/p75 PWWP domain complex
Descriptor: Histone H2A, Histone H2B 1.1, Histone H3, ...
Authors:Koutna, E, Kouba, T, Veverka, V.
Deposit date:2023-06-09
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
8PBU
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BU of 8pbu by Molmil
Mutant K1482M of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate
Descriptor: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBN
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BU of 8pbn by Molmil
Mutant R1789Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate
Descriptor: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBK
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BU of 8pbk by Molmil
Mutant R1722W of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate
Descriptor: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBI
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BU of 8pbi by Molmil
Mutant R1617Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate
Descriptor: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
8PBG
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BU of 8pbg by Molmil
Mutant K1556T of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate
Descriptor: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023

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PDB entries from 2024-04-24

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