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7N8M
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BU of 7n8m by Molmil
PptT PAP(CoA) 8978B complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8E
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BU of 7n8e by Molmil
PptT PAP(CoA) 9056 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-14
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
5CBX
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BU of 5cbx by Molmil
AncGR DNA Binding Domain - (+)GRE Complex
Descriptor: AncGR DNA Binding Domain, DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3'), ...
Authors:Hudson, W.H, Ortlund, E.A.
Deposit date:2015-07-01
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Distal substitutions drive divergent DNA specificity among paralogous transcription factors through subdivision of conformational space.
Proc.Natl.Acad.Sci.USA, 113, 2016
6P43
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BU of 6p43 by Molmil
Yeast cytochrome c peroxidase in complex with iso-1 cytochrome c (Y48K)
Descriptor: Cytochrome c iso-1, Cytochrome c peroxidase, mitochondrial, ...
Authors:Yee, E.F, Crane, B.R.
Deposit date:2019-05-25
Release date:2019-10-23
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.913 Å)
Cite:Tuning Radical Relay Residues by Proton Management Rescues Protein Electron Hopping.
J.Am.Chem.Soc., 141, 2019
6ALH
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BU of 6alh by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex
Descriptor: DNA (29-MER), DNA (5'-D(*GP*GP*GP*CP*TP*AP*AP*TP*GP*AP*CP*GP*GP*CP*GP*AP*AP*TP*AP*CP*CP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Kang, J.Y, Darst, S.A.
Deposit date:2017-08-07
Release date:2017-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis of transcription arrest by coliphage HK022 Nun in anEscherichia coliRNA polymerase elongation complex.
Elife, 6, 2017
4Y3C
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BU of 4y3c by Molmil
I304V 3D polymerase mutant of EMCV
Descriptor: 3D polymerase, CHLORIDE ION, GLYCEROL
Authors:Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L.
Deposit date:2015-02-10
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
6S1Y
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BU of 6s1y by Molmil
Crystal structure of Anopheles gambiae AnoACE2 in complex with gamma-Polyglutamic Acid.
Descriptor: (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R, Cashman, J.S.
Deposit date:2019-06-19
Release date:2019-11-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of angiotensin-converting enzyme from Anopheles gambiae in its native form and with a bound inhibitor.
Biochem.J., 476, 2019
7NCY
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BU of 7ncy by Molmil
Dual specificity phosphatase from Sulfolobales Beppu filamentous virus 3
Descriptor: Dual specificity phosphatase, GLYCEROL, NICKEL (II) ION
Authors:Welin, M, Akutsu, M, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Nordberg Karlsson, E.
Deposit date:2021-01-29
Release date:2022-03-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dual specificity phosphatase from Sulfolobales Beppu filamentous virus 3
To Be Published
8CHB
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BU of 8chb by Molmil
Inward-facing conformation of the ABC transporter BmrA C436S/A582C cross-linked mutant
Descriptor: Multidrug resistance ABC transporter ATP-binding/permease protein BmrA
Authors:Di Cesare, M, Kaplan, E, Hanssen, E, Valimehr, S, Orelle, C, Jault, J.M.
Deposit date:2023-02-07
Release date:2023-12-20
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains.
J.Biol.Chem., 300, 2023
6P8R
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BU of 6p8r by Molmil
Structure of P. aeruginosa ATCC27853 HORMA2
Descriptor: HORMA domain containing protein, PHOSPHATE ION
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
5CBZ
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BU of 5cbz by Molmil
AncMR DNA Binding Domain - (+)GRE Complex
Descriptor: AncMR DNA Binding Domain, DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3'), ...
Authors:Hudson, W.H, Ortlund, E.A.
Deposit date:2015-07-01
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Distal substitutions drive divergent DNA specificity among paralogous transcription factors through subdivision of conformational space.
Proc.Natl.Acad.Sci.USA, 113, 2016
6S0F
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BU of 6s0f by Molmil
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
Deposit date:2019-06-14
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
5C4I
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BU of 5c4i by Molmil
Structure of an Oxalate Oxidoreductase
Descriptor: IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ...
Authors:Gibson, M.I, Brignole, E.J, Pierce, E, Can, M, Ragsdale, S.W, Drennan, C.L.
Deposit date:2015-06-18
Release date:2015-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.274 Å)
Cite:The Structure of an Oxalate Oxidoreductase Provides Insight into Microbial 2-Oxoacid Metabolism.
Biochemistry, 54, 2015
6PB3
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BU of 6pb3 by Molmil
Structure of Rhizobiales Trip13
Descriptor: Rhizobiales Sp. Pch2, SULFATE ION
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-06-12
Release date:2019-12-25
Last modified:2020-03-04
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
6F2I
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BU of 6f2i by Molmil
Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Engilberge, S, Riobe, F, DI Pietro, S, Girard, E, Dumont, E, Maury, O.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
4XQ4
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BU of 4xq4 by Molmil
X-ray structure analysis of xylanase - N44D
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
5MVI
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BU of 5mvi by Molmil
Crystal structure of 2-methylcitrate dehydratase (PrpD) from Salmonella enterica
Descriptor: 2-methylcitrate dehydratase
Authors:Race, P.R, Baker, G.E.
Deposit date:2017-01-16
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of 2-methylcitrate dehydratase (PrpD) from Salmonella enterica
To Be Published
4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
Descriptor: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
7N07
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BU of 7n07 by Molmil
Crystal structure of the apo 3D6 antibody fragment
Descriptor: Fab 3D6 heavy chain, Fab 3D6 light chain, SULFATE ION
Authors:Cook, J.D, Lee, J.E.
Deposit date:2021-05-25
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
7N04
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BU of 7n04 by Molmil
Crystal structure of the apo F240 antibody fragment
Descriptor: Fab F240 heavy chain, Fab F240 light chain, alpha-D-glucopyranose
Authors:Cook, J.D, Lee, J.E.
Deposit date:2021-05-25
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.70000517 Å)
Cite:Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
5MOL
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BU of 5mol by Molmil
Human IgE-Fc crystal structure
Descriptor: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
Deposit date:2016-12-14
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
6S5U
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BU of 6s5u by Molmil
Strictosidine Synthase from Ophiorrhiza pumila in complex with N-[2-(1H-Indol-3-yl)ethyl]-3-methyl-1-butanamine
Descriptor: Strictosidine synthase, ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine
Authors:Eger, E, Sharma, M, Kroutil, W, Grogan, G.
Deposit date:2019-07-02
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions.
J.Am.Chem.Soc., 142, 2020
3KFL
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BU of 3kfl by Molmil
Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-10-27
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Leishmania major methionyl-tRNA synthetase in complex with intermediate products methionyladenylate and pyrophosphate.
Biochimie, 93, 2011
3O52
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BU of 3o52 by Molmil
Structure of the E.coli GDP-mannose hydrolase (yffh) in complex with tartrate
Descriptor: CHLORIDE ION, D(-)-TARTARIC ACID, GDP-mannose pyrophosphatase nudK, ...
Authors:Amzel, L.M, Gabelli, S.B, Boto, A.N.
Deposit date:2010-07-27
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
4CMP
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BU of 4cmp by Molmil
Crystal structure of S. pyogenes Cas9
Descriptor: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, SULFATE ION
Authors:Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A.
Deposit date:2014-01-16
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of Cas9 Endonucleases Reveal RNA-Mediated Conformational Activation.
Science, 343, 2014

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