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6VF4
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BU of 6vf4 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mn2+ (30 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mn2+ (30 min)
To be published
6VEZ
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BU of 6vez by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Pre-Catalytic Ternary Complex, 20 mM Ca2+ (60 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.875 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Pre-Catalytic Ternary Complex, 20 mM Ca2+ (60 min)
To be published
6VF6
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BU of 6vf6 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (960 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (960 min)
To be published
6VF5
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BU of 6vf5 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (120 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (120 min)
To be published
6VF9
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BU of 6vf9 by Molmil
DNA Polymerase Mu, 8-oxorGTP:Ct Ternary Complex, 50 mM Mg2+ (2160 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:Ct Ternary Complex, 50 mM Mg2+ (2160 min)
To be published
6VF7
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BU of 6vf7 by Molmil
DNA Polymerase Mu, 8-oxodGTP:At Ground State Ternary Complex, 50 mM Mn2+ (15 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:DNA Polymerase Mu, 8-oxodGTP:At Ground State Ternary Complex, 50 mM Mn2+ (15 min)
To be published
6VFC
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BU of 6vfc by Molmil
DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min)
To be published
2V36
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BU of 2v36 by Molmil
Crystal structure of gamma-glutamyl transferase from Bacillus subtilis
Descriptor: GAMMA-GLUTAMYLTRANSPEPTIDASE LARGE CHAIN, GAMMA-GLUTAMYLTRANSPEPTIDASE SMALL CHAIN
Authors:Sharath, B, Prabhune, A.A, Suresh, C.G, Wilkinson, A.J, Brannigan, J.A.
Deposit date:2007-06-13
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Gamma-Glutamyl Transferase
To be Published
6VS9
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BU of 6vs9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11)
Descriptor: 3-[(piperidin-1-yl)methyl]benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
5D5L
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BU of 5d5l by Molmil
PreQ1-II riboswitch with an engineered G-U wobble pair bound to Cs+
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, CESIUM ION, MAGNESIUM ION, ...
Authors:Wedekind, J.E, Liberman, J.A, Salim, M.
Deposit date:2015-08-10
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cesium(I) binding to G-U-wobble base pairs in preQ1 riboswitches with implications for crystallographic phasing
to be published
5DBQ
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BU of 5dbq by Molmil
Crystal structure of insect thioredoxin at 1.95 Angstroms
Descriptor: Thioredoxin
Authors:Klinke, S, Tejedor, M.D, Cerutti, M.L, Giacometti, R, Otero, L.H, Goldbaum, F.A, Zavala, J.A, Wolosiuk, R.A, Pagano, E.A.
Deposit date:2015-08-21
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of insect thioredoxin at 1.95 Angstroms
To Be Published
2XO6
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BU of 2xo6 by Molmil
DEINOCOCCUS RADIODURANS ISDRA2 TRANSPOSASE Y132F MUTANT COMPLEXED WITH LEFT END RECOGNITION AND CLEAVAGE SITE
Descriptor: 5'-D(*TP*TP*GP*AP*TP*G)-3', ACETATE ION, CADMIUM ION, ...
Authors:Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F.
Deposit date:2010-08-09
Release date:2010-10-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans.
Embo J., 29, 2010
6TT5
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BU of 6tt5 by Molmil
Crystal structure of DCLRE1C/Artemis
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ...
Authors:Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-12-23
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
5DI7
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BU of 5di7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol
Descriptor: (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-08-31
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.241 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
6TD4
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BU of 6td4 by Molmil
IRF4 DNA-binding domain surface entropy mutant apo structure
Descriptor: CHLORIDE ION, Interferon regulatory factor 4
Authors:Tucker, J.A, Martin, M.P, Wang, L.Z, Jennings, C, Heath, R.
Deposit date:2019-11-07
Release date:2020-11-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Cancer-associated mutations in the IRF4 DNA-binding domain confer no disadvantage in DNA-binding affinity and may increase transcriptional activity
To Be Published
5DIG
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BU of 5dig by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol
Descriptor: (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-01
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
6T8Y
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BU of 6t8y by Molmil
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex with the reduced form of the cofactor NADH and the substrate formate at a secondary site.
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A.
Deposit date:2019-10-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
5CYB
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BU of 5cyb by Molmil
Structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Carrasco-Lopez, C, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.A.
Deposit date:2015-07-30
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unraveling the function and structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae
To Be Published
5D0J
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BU of 5d0j by Molmil
Grb7 SH2 with inhibitor peptide
Descriptor: G7-TEdFP peptide, Growth factor receptor-bound protein 7, PHOSPHATE ION
Authors:Gunzburg, M.J, Watson, G.M, Wilce, J.A, Wilce, M.C.J.
Deposit date:2015-08-03
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7.
Sci Rep, 6, 2016
2WCH
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BU of 2wch by Molmil
Structure of BMori GOBP2 (General Odorant Binding Protein 2) with bombykal
Descriptor: (10E,12Z)-hexadeca-10,12-dienal, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION
Authors:Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H.
Deposit date:2009-03-12
Release date:2009-08-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components.
J.Mol.Biol., 389, 2009
2W35
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BU of 2w35 by Molmil
Structures of endonuclease V with DNA reveal initiation of deaminated adenine repair
Descriptor: 5'-D(*AP*GP*CP*CP*GP*TP)-3', 5'-D(*AP*TP*GP*CP*GP*AP*CP*IP*GP)-3', Endonuclease V, ...
Authors:Dalhus, B, Arvai, A.S, Rosnes, I, Olsen, O.E, Backe, P.H, Alseth, I, Gao, H, Cao, W, Tainer, J.A, Bjoras, M.
Deposit date:2008-11-06
Release date:2009-01-20
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of Endonuclease V with DNA Reveal Initiation of Deaminated Adenine Repair.
Nat.Struct.Mol.Biol., 16, 2009
2W2D
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BU of 2w2d by Molmil
Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A
Descriptor: ACETATE ION, BOTULINUM NEUROTOXIN A HEAVY CHAIN, BOTULINUM NEUROTOXIN A LIGHT CHAIN, ...
Authors:Masuyer, G, Thiyagarajan, N, James, P.L, Marks, P.M.H, Chaddock, J.A, Acharya, K.R.
Deposit date:2008-10-29
Release date:2009-03-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal Structure of a Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A.
Biochem.Biophys.Res.Commun., 381, 2009
2VWT
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BU of 2vwt by Molmil
Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 - Mg-pyruvate product complex
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I.
Deposit date:2008-06-26
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
5AG5
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BU of 5ag5 by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND
Descriptor: (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
Deposit date:2015-01-29
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
2W22
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BU of 2w22 by Molmil
Activation Mechanism of Bacterial Thermoalkalophilic Lipases
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, CALCIUM ION, ...
Authors:Carrasco-Lopez, C, Godoy, C, De Las Rivas, B, Fernandez-Lorente, G, Palomo, J.M, Guisan, J.M, Fernandez-Lafuente, R, Hermoso, J.A.
Deposit date:2008-10-23
Release date:2008-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Activation of bacterial thermoalkalophilic lipases is spurred by dramatic structural rearrangements.
J. Biol. Chem., 284, 2009

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