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8QEZ
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Crystal structure of the AMPA receptor GluA2-L504Y-N775S ligand binding domain in complex with L-glutamate and positive allosteric modulator BPAM395 at 1.55A resolution
Descriptor: 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ...
Authors:Dorosz, J, Laulumaa, S, Frydenvang, K, Kastrup, J.S.
Deposit date:2023-09-01
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring thienothiadiazine dioxides as isosteric analogues of benzo- and pyridothiadiazine dioxides in the search of new AMPA and kainate receptor positive allosteric modulators.
Eur.J.Med.Chem., 264, 2023
8QD6
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BU of 8qd6 by Molmil
AntI Ser245DHA (PMSF)
Descriptor: ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, SODIUM ION, ...
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 2024
8QD5
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AntI Ser245DHA (PSF)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ...
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 2024
8QBI
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AntI in closed state
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ...
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-24
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 2024
8QBC
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BU of 8qbc by Molmil
Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A
Descriptor: ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tinzl, M, Mittl, P.R.E, Hilvert, D.
Deposit date:2023-08-24
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
8QBA
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Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester
Descriptor: ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tinzl, M, Mittl, P.R.E, Hilvert, D.
Deposit date:2023-08-24
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
8QAY
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BU of 8qay by Molmil
Medicago truncatula HISN5 (IGPD) in complex with MN, FMT, ACT, CIT, EDO, SO4
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CITRIC ACID, ...
Authors:Witek, W, Ruszkowski, M.
Deposit date:2023-08-23
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting.
Front Plant Sci, 15, 2024
8Q6M
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BU of 8q6m by Molmil
Human SOD1 low dose data collecton
Descriptor: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
Authors:Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S.
Deposit date:2023-08-14
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
8Q6K
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BU of 8q6k by Molmil
Human IgD Fab in complex with an orthosteric inhibitor of Phl p 7
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Human IgD Fab heavy chain, ...
Authors:Davies, A.M, Vester, S.K, McDonnell, J.M.
Deposit date:2023-08-11
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Expanding the Anti-Phl p 7 Antibody Toolkit: An Anti-Idiotype Nanobody Inhibitor.
Antibodies, 12, 2023
8Q5X
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BU of 8q5x by Molmil
MgADP-bound Fe protein of the molybdenum nitrogenase from Methanococcus maripaludis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Maslac, N, Wagner, T.
Deposit date:2023-08-09
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Febs J., 2024
8Q5P
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BU of 8q5p by Molmil
Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1
Descriptor: Activated CDC42 kinase 1, Histone-lysine N-methyltransferase SETD2, S-ADENOSYLMETHIONINE, ...
Authors:Mechaly, A, Le Coadou, L, Dupret, J.M, Haouz, A, Rodrigues Lima, F.
Deposit date:2023-08-09
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.814 Å)
Cite:Structural and enzymatic evidence for the methylation of the ACK1 tyrosine kinase by the histone lysine methyltransferase SETD2.
Biochem.Biophys.Res.Commun., 695, 2024
8Q50
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BU of 8q50 by Molmil
Nitrogenase Fe protein from Methanothermococcus thermolithotrophicus, tetragonal crystalline form at 1.91-A resolution
Descriptor: ACETATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Maslac, N, Wagner, T.
Deposit date:2023-08-07
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Febs J., 2024
8Q3X
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BU of 8q3x by Molmil
Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Kaposi Sarcoma Associated Herpesvirus LANA Peptide-Au[I] Compound)
Descriptor: 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ...
Authors:De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
Deposit date:2023-08-04
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q3M
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BU of 8q3m by Molmil
Structure of Nucleosome Core with a Bound Kaposi Sarcoma Associated Herpesvirus LANA Peptide Having a Methionine to Ornithine Substitution
Descriptor: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
Authors:De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
Deposit date:2023-08-04
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q3E
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BU of 8q3e by Molmil
High Resolution Structure of Nucleosome Core with Bound Foamy Virus GAG Peptide
Descriptor: DNA (145-MER), GLY-GLY-TYR-ASN-LEU-ARG-PRO-ARG-THR-TYR-GLN-PRO-GLN-ARG-TYR-GLY-GLY-GLY, Histone H2A type 1-B/E, ...
Authors:De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
Deposit date:2023-08-04
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q36
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BU of 8q36 by Molmil
Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Foamy Virus GAG Peptide-Au[I] Compound)
Descriptor: DNA (145-MER), GAG structural protein, Histone H2A type 1-B/E, ...
Authors:De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
Deposit date:2023-08-03
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q1N
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BU of 8q1n by Molmil
Cyclic peptide binder of the WBM-site of WDR5
Descriptor: Cyclic peptide inhibitor, WD repeat-containing protein 5
Authors:Schmeing, S, Chang, J.Y, t Hart, P, Gasper, R.
Deposit date:2023-08-01
Release date:2023-09-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:Macrocyclic peptides as inhibitors of WDR5-lncRNA interactions.
Chem.Commun.(Camb.), 59, 2023
8Q1J
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BU of 8q1j by Molmil
LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
Authors:Barone, M, Mattevi, A.
Deposit date:2023-07-31
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Uncoupling Histone Modification Crosstalk by Engineering Lysine Demethylase LSD1
To Be Published
8Q1H
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BU of 8q1h by Molmil
LSD1 Y391K-CoREST bound to Histone H3 N-terminal tail
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
Authors:Barone, M, Mattevi, A.
Deposit date:2023-07-31
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Uncoupling Histone Modification Crosstalk by Engineering Lysine Demethylase LSD1
To Be Published
8Q1G
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BU of 8q1g by Molmil
LSD1-CoREST bound to Acetylated K14 of Histone H3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
Authors:Barone, M, Mattevi, A.
Deposit date:2023-07-31
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Uncoupling Histone Modification Crosstalk by Engineering Lysine Demethylase LSD1
To Be Published
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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BU of 8pwb by Molmil
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

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PDB entries from 2024-05-15

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