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PDB: 88608 results

7NT7
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Solution structure of toll like receptor 1 (TLR1) TIR domain
Descriptor: Toll-like receptor 1
Authors:Mineev, K.S, Lushpa, V.A, Goncharuk, M.V.
Deposit date:2021-03-09
Release date:2021-08-25
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions.
Commun Biol, 4, 2021
7O2F
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BU of 7o2f by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 22 (UZH2)
Descriptor: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Dolbois, A, Caflisch, A.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O2E
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 21 (ADO_AD_089)
Descriptor: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Dolbois, A, Caflisch, A.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O09
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 7 (ADO_AC_074)
Descriptor: 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Dolbois, A, Caflisch, A.
Deposit date:2021-03-25
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O08
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ADO_AB_075)
Descriptor: 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Dolbois, A, Caflisch, A.
Deposit date:2021-03-25
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O0L
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BU of 7o0l by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ADO_AC_093)
Descriptor: 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Dolbois, A, Caflisch, A.
Deposit date:2021-03-26
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O29
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BU of 7o29 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 20 (ADO_AD_044)
Descriptor: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Dolbois, A, Caflisch, A.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O2D
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BU of 7o2d by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with 2-(N-morpholino) ethanesulfonic acid (MES)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7NZQ
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BU of 7nzq by Molmil
D-lyxose isomerase from the hyperthermophilic archaeon Thermofilum sp complexed with D-mannose
Descriptor: 1,2-ETHANEDIOL, D-lyxose/D-mannose family sugar isomerase, DI(HYDROXYETHYL)ETHER, ...
Authors:De Rose, S.A, Isupov, M.N, Littlechild, J.A, Schoenheit, P.
Deposit date:2021-03-24
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Biochemical and Structural Characterisation of a Novel D-Lyxose Isomerase From the Hyperthermophilic Archaeon Thermofilum sp.
Front Bioeng Biotechnol, 9, 2021
7O07
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BU of 7o07 by Molmil
14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction)
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, Transcriptional coactivator YAP1
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2021-03-25
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Covalent flexible peptide docking in Rosetta.
Chem Sci, 12, 2021
7NZO
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BU of 7nzo by Molmil
D-lyxose isomerasefrom the hyperthermophilic archaeon Thermofilum sp
Descriptor: 1,2-ETHANEDIOL, D-lyxose/D-mannose family sugar isomerase, MANGANESE (II) ION
Authors:De Rose, S.A, Isupov, M.N, Littlechild, J.A, Schoenheit, P.
Deposit date:2021-03-24
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Biochemical and Structural Characterisation of a Novel D-Lyxose Isomerase From the Hyperthermophilic Archaeon Thermofilum sp.
Front Bioeng Biotechnol, 9, 2021
7NZP
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BU of 7nzp by Molmil
D-lyxose isomerase from the hyperthermophilic archaeon Thermofilum sp complexed with D-fructose
Descriptor: 1,2-ETHANEDIOL, D-lyxose/D-mannose family sugar isomerase, MANGANESE (II) ION, ...
Authors:De Rose, S.A, Isupov, M.N, Littlechild, J.A, Schoenheit, P.
Deposit date:2021-03-24
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.345 Å)
Cite:Biochemical and Structural Characterisation of a Novel D-Lyxose Isomerase From the Hyperthermophilic Archaeon Thermofilum sp.
Front Bioeng Biotechnol, 9, 2021
7OJR
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BU of 7ojr by Molmil
Bacillus subtilis phosphoglucomutase GlmM (phosphate bound)
Descriptor: PHOSPHATE ION, Phosphoglucosamine mutase
Authors:Pathania, M, Grundling, A.G, Freemont, P.
Deposit date:2021-05-17
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
7OJS
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BU of 7ojs by Molmil
Complex structure 2 of the Bacillus subtilis CdaA c-di-AMP cyclase domain (CdaACD) and the phosphoglucomutase GlmM short variant (GlmMF369)
Descriptor: Cyclic di-AMP synthase CdaA, Phosphoglucosamine mutase
Authors:Pathania, M, Grundling, A.G, Freemont, P.
Deposit date:2021-05-17
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
6CHR
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BU of 6chr by Molmil
Crystal structure of a group II intron lariat with an intact 3' splice site (pre-2s state)
Descriptor: MAGNESIUM ION, RNA (5'-R(P*UP*GP*UP*UP*UP*AP*UP*UP*AP*AP*AP*AP*A)-3'), RNA (621-MER), ...
Authors:Chan, R.T, Peters, J.K, Robart, A.R, Wiryaman, T, Rajashankar, K.R, Toor, N.
Deposit date:2018-02-22
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for the second step of group II intron splicing.
Nat Commun, 9, 2018
7NY7
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BU of 7ny7 by Molmil
Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Histone macroH2A1.1
Authors:Guberovic, I, Knobloch, G, Basquin, J, Buschbeck, M, Ladurner, A.G.
Deposit date:2021-03-21
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolution of a histone variant involved in compartmental regulation of NAD metabolism.
Nat.Struct.Mol.Biol., 28, 2021
7OBM
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BU of 7obm by Molmil
Crystal structure of the human Prolyl Endopeptidase-Like protein short form (residues 90-727)
Descriptor: Prolyl endopeptidase-like
Authors:Rosier, K, McDevitt, M.T, Brendan, J.F, Marcaida, M.J, Bingman, C.A, Pagliarini, D.J, Creemers, J.W.M, Smith, R.W, Mitochondrial Protein Partnership (MPP)
Deposit date:2021-04-22
Release date:2021-11-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Prolyl endopeptidase-like is a (thio)esterase involved in mitochondrial respiratory chain function.
Iscience, 24, 2021
7NTL
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BU of 7ntl by Molmil
AA9 lytic polysaccharide monooxygenase (LPMO) from Malbranchea cinnamomea
Descriptor: CITRIC ACID, COPPER (II) ION, LPMO9F
Authors:Mazurkewich, S, Seveso, A, Huttner, S, Branden, G, Larsbrink, L.
Deposit date:2021-03-10
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of a C1/C4-oxidizing AA9 lytic polysaccharide monooxygenase from the thermophilic fungus Malbranchea cinnamomea.
Acta Crystallogr D Struct Biol, 77, 2021
6CK4
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BU of 6ck4 by Molmil
G96A mutant of the PRPP riboswitch from T. mathranii bound to ppGpp
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Reiss, C.W, Knappenberger, A.J, Strobel, S.A.
Deposit date:2018-02-27
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.097 Å)
Cite:Structures of two aptamers with differing ligand specificity reveal ruggedness in the functional landscape of RNA.
Elife, 7, 2018
7O1X
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BU of 7o1x by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with 1-phenylimidazole
Descriptor: 1-phenyl-1H-imidazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7O2G
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BU of 7o2g by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with styrene
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7O1R
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BU of 7o1r by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with imidazole
Descriptor: 1,4-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7O1Z
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BU of 7o1z by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with S-1,2-propanediol
Descriptor: 1-BUTANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7NYD
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BU of 7nyd by Molmil
cryoEM structure of 2C9-sMAC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Menny, A, Couves, E.C, Bubeck, D.
Deposit date:2021-03-22
Release date:2021-10-06
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural basis of soluble membrane attack complex packaging for clearance.
Nat Commun, 12, 2021
7ODF
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BU of 7odf by Molmil
Structure of the mini-RNA-guided endonuclease CRISPR-Cas_phi3
Descriptor: Cas_phi3, DNA (5'-D(P*GP*G)-3'), DNA (5'-D(P*GP*TP*AP*AP*TP*TP*CP*AP*G)-3'), ...
Authors:Carabias del Rey, A, Fugilsang, A, Temperini, P, Pape, T, Sofos, N, Stella, S, Erledsson, S, Montoya, G.
Deposit date:2021-04-29
Release date:2021-07-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structure of the mini-RNA-guided endonuclease CRISPR-Cas12j3.
Nat Commun, 12, 2021

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