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7B02
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BU of 7b02 by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
Descriptor: 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Fata, F, Silvestri, I, Williams, D.L, Angelucci, F.
Deposit date:2020-11-18
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
2XC2
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BU of 2xc2 by Molmil
Crystal structure of oxidized Schistosoma mansoni Thioredoxin pre- protein at 1.6 Angstrom
Descriptor: CALCIUM ION, THIOREDOXINN, ZINC ION
Authors:Boumis, G, Miele, A.E, Dimastrogiovanni, D, Angelucci, F, Bellelli, A.
Deposit date:2010-04-15
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin.
Protein Sci., 20, 2011
2XBQ
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BU of 2xbq by Molmil
Crystal structure of reduced Schistosoma mansoni Thioredoxin pre- protein at 1.7 Angstrom
Descriptor: THIOREDOXIN, ZINC ION
Authors:Boumis, G, Miele, A.E, Dimastrogiovanni, D, Angelucci, F, Bellelli, A.
Deposit date:2010-04-14
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin.
Protein Sci., 20, 2011
6ZST
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BU of 6zst by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid
Descriptor: 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fata, F, Silvestri, I, Williams, D.L, Angelucci, F.
Deposit date:2020-07-16
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
6ZP3
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BU of 6zp3 by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ...
Authors:Fata, F, Silvestri, I, Williams, D.L, Angelucci, F.
Deposit date:2020-07-08
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
6ZLP
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BU of 6zlp by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole
Descriptor: 2,1,3-benzothiadiazol-4-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Fata, F, Silvestri, I, Williams, D.L, Angelucci, F.
Deposit date:2020-06-30
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
3AB1
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BU of 3ab1 by Molmil
Crystal Structure of Ferredoxin NADP+ Oxidoreductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase
Authors:Muraki, N, Seo, D, Kurisu, G.
Deposit date:2009-11-30
Release date:2010-11-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Asymmetric dimeric structure of ferredoxin-NAD(P)+ oxidoreductase from the green sulfur bacterium Chlorobaculum tepidum: implications for binding ferredoxin and NADP+
J.Mol.Biol., 401, 2010
4N8R
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BU of 4n8r by Molmil
Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008
Descriptor: 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha
Authors:Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C.
Deposit date:2013-10-17
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
4N5G
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BU of 4n5g by Molmil
Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012
Descriptor: 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha
Authors:Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C.
Deposit date:2013-10-09
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
1T8E
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BU of 1t8e by Molmil
T7 DNA Polymerase Ternary Complex with dCTP at the Insertion Site.
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 25-MER, ...
Authors:Brieba, L.G, Eichman, B.F, Kokoska, R.J, Doublie, S, Kunkel, T.A, Ellenberger, T.
Deposit date:2004-05-12
Release date:2004-10-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural basis for the dual coding potential of 8-oxoguanosine by a high-fidelity DNA polymerase.
Embo J., 23, 2004
3UJ1
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BU of 3uj1 by Molmil
Crystal structure of the third thioredoxin domain of human ERp46
Descriptor: Thioredoxin domain-containing protein 5
Authors:Parthier, C, Funkner, A, Ferrari, D.M, Stubbs, M.T.
Deposit date:2011-11-07
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Peptide Binding by Catalytic Domains of the Protein Disulfide Isomerase-Related Protein ERp46.
J.Mol.Biol., 425, 2013
7E52
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BU of 7e52 by Molmil
Acinetobacter baumannii Thioredoxin reductase
Descriptor: Thioredoxin reductase
Authors:Park, H.H, Chun, H.L.
Deposit date:2021-02-16
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Acinetobacter baumannii Thioredoxin reductase
To Be Published
5NVD
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BU of 5nvd by Molmil
Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria at 2.5 A resolution in P6322 crystal form
Descriptor: CBS-CP12
Authors:Hackenberg, C, Hakanpaa, J, Eigner, C, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
Deposit date:2017-05-04
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6KIZ
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BU of 6kiz by Molmil
Cryo-EM structure of human MLL1-NCP complex, binding mode2
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Huang, J, Xue, H, Yao, T.
Deposit date:2019-07-20
Release date:2019-09-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
6KIX
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BU of 6kix by Molmil
Cryo-EM structure of human MLL1-NCP complex, binding mode1
Descriptor: DNA (145-MER), GLUTAMINE, Histone H2A, ...
Authors:Huang, J, Xue, H, Yao, T.
Deposit date:2019-07-20
Release date:2019-09-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
6KIV
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BU of 6kiv by Molmil
Cryo-EM structure of human MLL1-ubNCP complex (4.0 angstrom)
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Huang, J, Xue, H, Yao, T.
Deposit date:2019-07-20
Release date:2019-09-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
6KIU
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BU of 6kiu by Molmil
Cryo-EM structure of human MLL1-ubNCP complex (3.2 angstrom)
Descriptor: DNA (145-MER), GLUTAMINE, Histone H2A, ...
Authors:Huang, J, Xue, H, Yao, T.
Deposit date:2019-07-20
Release date:2019-09-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
8CCK
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BU of 8cck by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry H07
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCJ
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BU of 8ccj by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with NADPH
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCL
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BU of 8ccl by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry A09
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCM
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BU of 8ccm by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with Compound 2-06
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
6Z9C
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BU of 6z9c by Molmil
Structure of human POLDIP2, a multifaceted adaptor protein in metabolism and genome stability
Descriptor: Polymerase delta-interacting protein 2, SODIUM ION
Authors:Kulik, A.A, Maruszczak, K, Nabi, N.L.M, Bingham, R.J, Cooper, C.D.O.
Deposit date:2020-06-03
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure and molecular dynamics of human POLDIP2, a multifaceted adaptor protein in metabolism and genome stability.
Protein Sci., 30, 2021
6W5I
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BU of 6w5i by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class01)
Descriptor: DNA (147-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U.
Deposit date:2020-03-13
Release date:2021-03-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
6W5N
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BU of 6w5n by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class05)
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U.
Deposit date:2020-03-13
Release date:2021-03-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
6W5M
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BU of 6w5m by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class02)
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U.
Deposit date:2020-03-13
Release date:2021-03-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021

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