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8IYA
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BU of 8iya by Molmil
Complex of SETDB1-derived peptide bound to UBE2E1
Descriptor: Histone-lysine N-methyltransferase SETDB1, SULFATE ION, Ubiquitin-conjugating enzyme E2 E1
Authors:Du, Y.X, Liu, L.
Deposit date:2023-04-04
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Complex of SETDB1-derived peptide bound to UBE2E1
To Be Published
8IFG
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BU of 8ifg by Molmil
Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Cph2, ...
Authors:Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D.
Deposit date:2023-02-17
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
8CO7
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BU of 8co7 by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C.
Deposit date:2023-02-27
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8WG5
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BU of 8wg5 by Molmil
Cryo-EM structure of USP16 bound to H2AK119Ub nucleosome
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
Authors:Ai, H.S, He, Z.Z, Deng, Z.H, Liu, L.
Deposit date:2023-09-20
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Cryo-EM structure of USP16 bound to H2AK119Ub nucleosome
To Be Published
8X72
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BU of 8x72 by Molmil
The Crystal Structure of PLK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Wu, B.
Deposit date:2023-11-22
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of PLK1 from Biortus.
To Be Published
8QFL
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BU of 8qfl by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with iron
Descriptor: ACETATE ION, Cysteine dioxygenase, FE (III) ION, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QFN
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BU of 8qfn by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase aerobic
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QEZ
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BU of 8qez by Molmil
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
8QFQ
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BU of 8qfq by Molmil
Ergothioneine dioxygenase, variant H147A, from Thermocatellispora tengchongensis in complex with manganese
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QFO
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BU of 8qfo by Molmil
Ergothioneine dioxygenase, variant Y149F, from Thermocatellispora tengchongensis in complex with manganese
Descriptor: ACETATE ION, Cysteine dioxygenase, DI(HYDROXYETHYL)ETHER, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8HVQ
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BU of 8hvq by Molmil
Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis
Descriptor: 1,2-ETHANEDIOL, Cof-type HAD-IIB family hydrolase, DI(HYDROXYETHYL)ETHER, ...
Authors:Kaur, H, Mahto, J.K, Kumar, P, Sharma, A.K.
Deposit date:2022-12-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis
To Be Published
8C0M
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BU of 8c0m by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F
Descriptor: ACETATE ION, Alginate lyase, SULFATE ION
Authors:Wilkens, C.
Deposit date:2022-12-18
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F
To Be Published
8BZ6
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BU of 8bz6 by Molmil
Crystal structure of the L. monocytogenes RmlT in complex with UDP-glucose
Descriptor: ACETATE ION, CHLORIDE ION, Glycosyltransferase, ...
Authors:Cereija, T.B, Morais-Cabral, J.H.
Deposit date:2022-12-14
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the L. monocytogenes RmlT in complex with UDP-glucose
To Be Published
8SWI
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BU of 8swi by Molmil
Crystal structure of legAS4 from Legionella pneumophila subsp. pneumophila with histone H3 (1-12)peptide
Descriptor: Eukaryotic huntingtin interacting protein B, Histone H3 peptided, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Xu, C, Chung, I.Y.W, Cygler, M.
Deposit date:2023-05-18
Release date:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:The SET and ankyrin domains of the secreted Legionella pneumophila histone methyltransferase work together to modify host chromatin.
Mbio, 14, 2023
8JC3
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BU of 8jc3 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine
Descriptor: 4-(pyridin-4-ylamino)butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8JC4
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BU of 8jc4 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine
Descriptor: 1-pyridin-4-ylpiperidine-4-carboxylic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8CBN
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BU of 8cbn by Molmil
structure of LEDGF/p75 PWWP domain bound to the H3K36 trimethylated dinucleosome
Descriptor: Histone H2A, Histone H2B 1.1, Histone H3, ...
Authors:Koutna, E, Kouba, T, Novacek, J, Veverka, V.
Deposit date:2023-01-25
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
8JWU
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BU of 8jwu by Molmil
PHD Finger Protein 7 (PHF7) fused to UBE2D2 via a (GSGG)3 linker
Descriptor: PHD finger protein 7,Ubiquitin-conjugating enzyme E2 D2, ZINC ION
Authors:Lee, H.S, Bang, I, Choi, H.-J.
Deposit date:2023-06-29
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Molecular basis for PHF7-mediated ubiquitination of histone H3.
Genes Dev., 37, 2023
8JWS
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BU of 8jws by Molmil
ePHD domain of PHD Finger Protein 7 (PHF7)
Descriptor: 1,2-ETHANEDIOL, PHD finger protein 7, ZINC ION
Authors:Bang, I, Lee, H.S, Choi, H.-J.
Deposit date:2023-06-29
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for PHF7-mediated ubiquitination of histone H3.
Genes Dev., 37, 2023
8JWJ
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BU of 8jwj by Molmil
PHD Finger Protein 7 (PHF7) in complex with UBE2D2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, PHD finger protein 7, ...
Authors:Lee, H.S, Bang, I, Choi, H.-J.
Deposit date:2023-06-29
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Molecular basis for PHF7-mediated ubiquitination of histone H3.
Genes Dev., 37, 2023
8CIB
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BU of 8cib by Molmil
Structural and functional analysis of the Pseudomonas aeruginosa PA1677 protein
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Cysteine hydrolase, ...
Authors:Sonnleitner, E, Brear, P, Luisi, B.F, Blasi, U.
Deposit date:2023-02-09
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Catabolite repression control protein antagonist, a novel player in Pseudomonas aeruginosa carbon catabolite repression control.
Front Microbiol, 14, 2023
8U5D
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BU of 8u5d by Molmil
Crystal Structure of C-terminal domain of Clostridium perfringens Enterotoxin in Space Group P 41 21 2
Descriptor: ACETATE ION, GLYCEROL, Heat-labile enterotoxin B chain, ...
Authors:Kapoor, S, Vecchio, A.J.
Deposit date:2023-09-12
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of Clostridium perfringens Enterotoxin Activation and Oligomerization by Trypsin.
Toxins, 15, 2023
8UJY
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BU of 8ujy by Molmil
Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8)
Descriptor: (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5
Authors:Zhao, B, Amporndanai, K, Fesik, S.W.
Deposit date:2023-10-11
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.
J.Med.Chem., 66, 2023
8U1W
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BU of 8u1w by Molmil
Structure of Norovirus (Hu/GII.4/Sydney/NSW0514/2012/AU) protease bound to inhibitor NV-004
Descriptor: ACETATE ION, GLYCEROL, Peptidase C37, ...
Authors:Eruera, A.R, Campbell, A.C, Krause, K.L.
Deposit date:2023-09-03
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure of Inhibitor-Bound GII.4 Sydney 2012 Norovirus 3C-Like Protease.
Viruses, 15, 2023
8U5E
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BU of 8u5e by Molmil
Crystal Structure of C-terminal domain of Clostridium perfringens Enterotoxin in Space Group P 21 21 21
Descriptor: ACETATE ION, GLYCEROL, Heat-labile enterotoxin B chain, ...
Authors:Kapoor, S, Vecchio, A.J.
Deposit date:2023-09-12
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis of Clostridium perfringens Enterotoxin Activation and Oligomerization by Trypsin.
Toxins, 15, 2023

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PDB entries from 2024-05-22

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