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1ZM2
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BU of 1zm2 by Molmil
Structure of ADP-ribosylated eEF2 in complex with catalytic fragment of ETA
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Elongation factor 2, Exotoxin A
Authors:Joergensen, R, Merrill, A.R, Yates, S.P, Marquez, V.E, Schwan, A.L, Boesen, T, Andersen, G.R.
Deposit date:2005-05-10
Release date:2005-05-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Exotoxin A-eEF2 complex structure indicates ADP ribosylation by ribosome mimicry.
Nature, 436, 2005
6GNK
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BU of 6gnk by Molmil
Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H.
Deposit date:2018-05-31
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
6GNJ
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BU of 6gnj by Molmil
Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form in complex with STO1101
Descriptor: 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme S
Authors:Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H.
Deposit date:2018-05-31
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
1ZM9
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BU of 1zm9 by Molmil
Structure of eEF2-ETA in complex with PJ34
Descriptor: Elongation factor 2, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, exotoxin A
Authors:Joergensen, R, Merrill, A.R, Yates, S.P, Marquez, V.E, Schwan, A.L, Boesen, T, Andersen, G.R.
Deposit date:2005-05-10
Release date:2005-05-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Exotoxin A-eEF2 complex structure indicates ADP ribosylation by ribosome mimicry.
Nature, 436, 2005
1H0T
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BU of 1h0t by Molmil
An affibody in complex with a target protein: structure and coupled folding
Descriptor: IMMUNOGLOBULIN G BINDING PROTEIN A, ZSPA-1 AFFIBODY
Authors:Wahlberg, E, Lendel, C, Helgstrand, M, Allard, P, Dincbas-Renqvist, V, Hedqvist, A, Berglund, H, Nygren, P.-A, Hard, T.
Deposit date:2002-06-27
Release date:2003-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An Affibody in Complex with a Target Protein: Structure and Coupled Folding
Proc.Natl.Acad.Sci.USA, 100, 2003
3LIH
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BU of 3lih by Molmil
Crystal structure of fructosyltransferase (D191A) from A. japonicus in complex with raffinose
Descriptor: Fructosyltransferase, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose
Authors:Chuankhayan, P, Chen, C.J, Chiang, C.M.
Deposit date:2010-01-24
Release date:2010-05-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Aspergillus japonicus fructosyltransferase complex with donor/acceptor substrates reveal complete subsites in the active site for catalysis
J.Biol.Chem., 285, 2010
6NZJ
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BU of 6nzj by Molmil
Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO2 Capture by a Surface-Exposed [Fe4S4] Cluster
Descriptor: IRON/SULFUR CLUSTER, Nitrogenase iron protein, SULFATE ION
Authors:Rettberg, L.A, Kang, W, Stiebritz, M.T, Hiller, C.J, Lee, C.C, Liedtke, J, Ribbe, M.W, Hu, Y.
Deposit date:2019-02-13
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO 2 Capture by a Surface-Exposed [Fe 4 S 4 ] Cluster.
Mbio, 10, 2019
6EB1
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BU of 6eb1 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid
Descriptor: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase
Authors:Lindenberger, J.J, Kobe, M, Kvaratskhelia, M.
Deposit date:2018-08-03
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
6LA0
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BU of 6la0 by Molmil
Crystal structure of AoRut
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoside hydrolase family 5
Authors:Koseki, T, Makabe, K.
Deposit date:2019-11-11
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Aspergillus oryzae Rutinosidase: Biochemical and Structural Investigation.
Appl.Environ.Microbiol., 87, 2021
6EB2
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BU of 6eb2 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid
Descriptor: (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase
Authors:Lindenberger, J.J, Kobe, M, Kvaratskhelia, M.
Deposit date:2018-08-03
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
6PF1
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BU of 6pf1 by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-090 and CoA
Descriptor: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole, COENZYME A, Histone acetyltransferase p300
Authors:Gardberg, A.S.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
7SQD
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BU of 7sqd by Molmil
Cryo-EM structure of the Achromobacter flagellar filament
Descriptor: Flagellin
Authors:Kreutzberger, M.A, Wang, F, Egelman, E.H.
Deposit date:2021-11-05
Release date:2022-03-16
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Flagellin outer domain dimerization modulates motility in pathogenic and soil bacteria from viscous environments.
Nat Commun, 13, 2022
7T8U
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BU of 7t8u by Molmil
Structure of PSMbeta2 nanotubes
Descriptor: Antibacterial protein
Authors:Kreutzberger, M.A, Wang, S, Egelman, E.H, Conicello, V.P.
Deposit date:2021-12-17
Release date:2022-05-18
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Phenol-soluble modulins PSM alpha 3 and PSM beta 2 form nanotubes that are cross-alpha amyloids.
Proc.Natl.Acad.Sci.USA, 119, 2022
7T0X
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BU of 7t0x by Molmil
Structure of the larger diameter PSMalpha3 nanotube
Descriptor: Phenol-soluble modulin PSM-alpha-3
Authors:Kreutzberger, M.A, Wang, S, Beltran, L.C, Egelman, E.H, Conticello, V.P.
Deposit date:2021-11-30
Release date:2022-05-18
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Phenol-soluble modulins PSM alpha 3 and PSM beta 2 form nanotubes that are cross-alpha amyloids.
Proc.Natl.Acad.Sci.USA, 119, 2022
6PGU
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BU of 6pgu by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA
Descriptor: COENZYME A, Histone acetyltransferase p300, N-(thiophen-2-yl)acetamide
Authors:Gardberg, A.S, Poy, F, Setser, J.
Deposit date:2019-06-24
Release date:2019-10-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
6Q00
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BU of 6q00 by Molmil
TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 1
Descriptor: POTASSIUM ION, Tyrosyl-DNA phosphodiesterase 2, Ubiquitin
Authors:Schellenberg, M.J, Krahn, J.M, Williams, R.S.
Deposit date:2019-08-01
Release date:2020-04-29
Last modified:2020-06-24
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2.
Nucleic Acids Res., 48, 2020
6Q01
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BU of 6q01 by Molmil
TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 2
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, MAGNESIUM ION, ...
Authors:Schellenberg, M.J, Krahn, J.M, Williams, R.S.
Deposit date:2019-08-01
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (0.851 Å)
Cite:Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2.
Nucleic Acids Res., 48, 2020
6CGY
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BU of 6cgy by Molmil
Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a phosphate anion
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ...
Authors:Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M.
Deposit date:2018-02-21
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
6RGT
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BU of 6rgt by Molmil
Crystal structure of the cofactor-free Aspergillus flavus urate oxidase T57A variant anaerobically complexed with 9-methyl uric acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9-METHYL URIC ACID, ...
Authors:Bui, S, Lowden, S.R.J, Steiner, R.A.
Deposit date:2019-04-17
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the cofactor-free Aspergillus flavus urate oxidase T57A variant anaerobically complexed with 9-methyl uric acid
To Be Published
6CGZ
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BU of 6cgz by Molmil
Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to C6-AHL
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ...
Authors:Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M.
Deposit date:2018-02-21
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
1TT0
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BU of 1tt0 by Molmil
Crystal Structure of Pyranose 2-Oxidase
Descriptor: ACETATE ION, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Hallberg, B.M, Leitner, C, Haltrich, D, Divne, C.
Deposit date:2004-06-21
Release date:2005-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the 270 kDa homotetrameric lignin-degrading enzyme pyranose 2-oxidase
J.Mol.Biol., 341, 2004
6CH0
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BU of 6ch0 by Molmil
Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a glycerol molecule
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ...
Authors:Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M.
Deposit date:2018-02-21
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
3MSX
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BU of 3msx by Molmil
Crystal structure of RhoA.GDP.MgF3 in complex with GAP domain of ArhGAP20
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 20, ...
Authors:Utepbergenov, D, Cooper, D.R, Derewenda, U, Derewenda, Z.S.
Deposit date:2010-04-29
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of molecular specificity of RhoGAP domains towards small GTPases of RhoA family.
To be Published
6D9M
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BU of 6d9m by Molmil
T4-Lysozyme fusion to Geobacter GGDEF
Descriptor: ACETATE ION, Fusion protein of Endolysin,Response receiver sensor diguanylate cyclase, GAF domain-containing, ...
Authors:Hallberg, Z, Doxzen, K, Kranzusch, P.J, Hammond, M.
Deposit date:2018-04-30
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure and mechanism of a Hypr GGDEF enzyme that activates cGAMP signaling to control extracellular metal respiration.
Elife, 8, 2019
1HAV
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BU of 1hav by Molmil
HEPATITIS A VIRUS 3C PROTEINASE
Descriptor: CHLORIDE ION, HEPATITIS A VIRUS 3C PROTEINASE
Authors:Bergmann, E.M, James, M.N.G.
Deposit date:1996-10-23
Release date:1996-12-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The refined crystal structure of the 3C gene product from hepatitis A virus: specific proteinase activity and RNA recognition.
J.Virol., 71, 1997

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