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4E0T
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BU of 4e0t by Molmil
Crystal structure of CdpNPT in its unbound state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cyclic dipeptide N-prenyltransferase, ...
Authors:Schuller, J.M, Zocher, G, Stehle, T.
Deposit date:2012-03-05
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity.
J.Mol.Biol., 422, 2012
4EJS
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BU of 4ejs by Molmil
Structure of yeast elongator subcomplex Elp456
Descriptor: Elongator complex protein 4, Elongator complex protein 5, Elongator complex protein 6
Authors:Lin, Z, Zhao, W, Long, J, Shen, Y.
Deposit date:2012-04-07
Release date:2012-05-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Crystal structure of elongator subcomplex Elp4-6
J.Biol.Chem., 287, 2012
4M6T
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BU of 4m6t by Molmil
Structure of human Paf1 and Leo1 complex
Descriptor: RNA polymerase II-associated factor 1 homolog, Linker, RNA polymerase-associated protein LEO1, ...
Authors:Shen, Y, Qin, X.
Deposit date:2013-08-11
Release date:2013-10-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural insights into Paf1 complex assembly and histone binding
Nucleic Acids Res., 41, 2013
3GJ9
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BU of 3gj9 by Molmil
crystal structure of TIP-1 in complex with c-terminal of Kir2.3
Descriptor: C-terminal peptide from Inward rectifier potassium channel 4, CHLORIDE ION, Tax1-binding protein 3, ...
Authors:Shen, Y.
Deposit date:2009-03-08
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular mechanism of inward rectifier potassium channel 2.3 regulation by tax-interacting protein-1
J.Mol.Biol., 392, 2009
3G9L
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BU of 3g9l by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3O24
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BU of 3o24 by Molmil
Crystal structure of the brevianamide F prenyltransferase FtmPT1 from Aspergillus fumigatus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Brevianamide F prenyltransferase, CHLORIDE ION, ...
Authors:Jost, M, Zocher, G.E, Stehle, T.
Deposit date:2010-07-22
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-function analysis of an enzymatic prenyl transfer reaction identifies a reaction chamber with modifiable specificity.
J.Am.Chem.Soc., 132, 2010
3O2K
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BU of 3o2k by Molmil
Crystal Structure of Brevianamide F Prenyltransferase Complexed with Brevianamide F and Dimethylallyl S-thiolodiphosphate
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Brevianamide F prenyltransferase, ...
Authors:Jost, M, Zocher, G.E, Stehle, T.
Deposit date:2010-07-22
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-function analysis of an enzymatic prenyl transfer reaction identifies a reaction chamber with modifiable specificity.
J.Am.Chem.Soc., 132, 2010
7A3V
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BU of 7a3v by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with 3-hydroxysulfolane
Descriptor: 1,2-ETHANEDIOL, 3-hydroxythietane-1,1-dioxide, GLYCEROL, ...
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-08-18
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A3X
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BU of 7a3x by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with sulfolane
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ...
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-08-18
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A6D
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BU of 7a6d by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-4,4-difluorocyclopentane-1,2-diol
Descriptor: (1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-08-25
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A4K
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BU of 7a4k by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with tetramethylene sulfoxide
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ...
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-08-19
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A4X
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BU of 7a4x by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with dimethyl sulfoxide
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Nguyen, D, Nguyen, T.X.P, Heine, A, Klebe, G.
Deposit date:2020-08-20
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7ADN
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BU of 7adn by Molmil
apo tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant
Descriptor: FORMIC ACID, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Nguyen, D, You, S, Heine, A, Klebe, G.
Deposit date:2020-09-15
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A0B
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BU of 7a0b by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane
Descriptor: (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-08-07
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A9E
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BU of 7a9e by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone
Descriptor: 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ...
Authors:Nguyen, D, You, S, Heine, A, Klebe, G.
Deposit date:2020-09-01
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
6LF8
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BU of 6lf8 by Molmil
Crystal structure of pSLA-1*0401 complex with dodecapeptide RVEDVTNTAEYW
Descriptor: ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-11-30
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Peptidomes of Swine MHC Class I with Long Peptides Reveal the Cross-Species Characteristics of the Novel N-Terminal Extension Presentation Mode.
J Immunol., 208, 2022
3WB1
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BU of 3wb1 by Molmil
HcgB from Methanocaldococcus jannaschii
Descriptor: SULFATE ION, Uncharacterized protein MJ0488
Authors:Tamura, H, Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2013-05-11
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of the HcgB enzyme in [Fe]-hydrogenase-cofactor biosynthesis.
Angew.Chem.Int.Ed.Engl., 52, 2013
4LD7
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BU of 4ld7 by Molmil
Crystal structure of AnaPT from Neosartorya fischeri
Descriptor: Dimethylallyl tryptophan synthase, SODIUM ION, TRIHYDROGEN THIODIPHOSPHATE
Authors:Zocher, G, Stehle, T.
Deposit date:2013-06-24
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Catalytic Mechanism of Stereospecific Formation of cis-Configured Prenylated Pyrroloindoline Diketopiperazines by Indole Prenyltransferases.
Chem.Biol., 20, 2013
3WB0
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BU of 3wb0 by Molmil
HcgB from Methanocaldococcus jannaschii in complex with light-decomposed FeGP cofactor of [Fe]-hydrogenase
Descriptor: 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, Uncharacterized protein MJ0488
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2013-05-10
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of the HcgB enzyme in [Fe]-hydrogenase-cofactor biosynthesis.
Angew.Chem.Int.Ed.Engl., 52, 2013
3WB2
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BU of 3wb2 by Molmil
HcgB from Methanocaldococcus jannaschii in complex with the guanylyl-pyridinol product in a model reaction of [Fe]-hydrogenase cofactor biosynthesis
Descriptor: 5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2013-05-11
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Identification of the HcgB enzyme in [Fe]-hydrogenase-cofactor biosynthesis.
Angew.Chem.Int.Ed.Engl., 52, 2013
3WHW
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BU of 3whw by Molmil
MTH1 in complex with Ruthenium-based inhibitor
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, [4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
Authors:Streib, M, Kraeling, K, Richter, K, Steuber, H, Meggers, E.
Deposit date:2013-09-03
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:An Organometallic Inhibitor for the Human Repair Enzyme 7,8-Dihydro-8-oxoguanosine Triphosphatase.
Angew.Chem.Int.Ed.Engl., 53, 2014
5D4U
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BU of 5d4u by Molmil
SAM-bound HcgC from Methanocaldococcus jannaschii
Descriptor: S-ADENOSYLMETHIONINE, SULFATE ION, Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-09
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D5O
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BU of 5d5o by Molmil
HcgC from Methanocaldococcus jannaschii
Descriptor: SULFATE ION, Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-11
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D4T
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BU of 5d4t by Molmil
SeMet-labelled HcgC from Methanocaldococcus jannaschii in space group P212121
Descriptor: Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-09
Release date:2016-07-20
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016

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