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PDB: 523 results

5JCT
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BU of 5jct by Molmil
Crystal Structure of Human Pirin in complex with a Chemical Probe pyrrolidine 24
Descriptor: DIMETHYL SULFOXIDE, FE (III) ION, GLYCEROL, ...
Authors:Ali, S, van Montfort, R.
Deposit date:2016-04-15
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen.
J. Med. Chem., 60, 2017
6H1H
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BU of 6h1h by Molmil
Crystal structure of human Pirin in complex with compound 7 (PLX4720)
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ...
Authors:Ali, S, Le Bihan, Y.V, van Montfort, R.L.M.
Deposit date:2018-07-11
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Privileged Structures and Polypharmacology within and between Protein Families.
ACS Med Chem Lett, 9, 2018
6H1I
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Crystal structure of human Pirin in complex with bisamide compound 2
Descriptor: FE (III) ION, GLYCEROL, Pirin, ...
Authors:Ali, S, Le Bihan, Y.V, van Montfort, R.L.M.
Deposit date:2018-07-11
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Privileged Structures and Polypharmacology within and between Protein Families.
ACS Med Chem Lett, 9, 2018
4ICG
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BU of 4icg by Molmil
N-terminal dimerization domain of H-NS in complex with Hha (Salmonella Typhimurium)
Descriptor: DNA-binding protein H-NS, Hemolysin expression modulating protein (Involved in environmental regulation of virulence factors)
Authors:Ali, S.S, Whitney, J.C, Stevenson, J, Robinson, H, Howell, P.L, Navarre, W.W.
Deposit date:2012-12-10
Release date:2013-03-27
Last modified:2016-05-18
Method:X-RAY DIFFRACTION (2.9217 Å)
Cite:Structural Insights into the Regulation of Foreign Genes in Salmonella by the Hha/H-NS Complex.
J.Biol.Chem., 288, 2013
6XH0
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BU of 6xh0 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.9
Descriptor: MAGNESIUM ION, TAR binding protein 6.9, TRANS-ACTIVATION RESPONSE ELEMENT
Authors:Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
6XH3
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BU of 6xh3 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.3
Descriptor: TAR BINDING PROTEIN TBP 6.3, TRANS-ACTIVATION RESPONSE ELEMENT
Authors:Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
6XH2
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BU of 6xh2 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM 6.6
Descriptor: TAR-BINDING PROTEIN 6.6, TRANS-ACTIVATION RESPONSE ELEMENT
Authors:Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
3D54
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BU of 3d54 by Molmil
Structure of PurLQS from Thermotoga maritima
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Formylglycinamide ribonucleotide amidotransferase, Phosphoribosylformylglycinamidine synthase 1, ...
Authors:Ealick, S.E, Morar, M.
Deposit date:2008-05-15
Release date:2008-07-22
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Formylglycinamide ribonucleotide amidotransferase from Thermotoga maritima: structural insights into complex formation.
Biochemistry, 47, 2008
8UXW
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BU of 8uxw by Molmil
Arp2/3 branch junction complex, ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Chavali, S.S, Chou, S.Z, Sindelar, C.V.
Deposit date:2023-11-11
Release date:2024-01-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal how phosphate release from Arp3 weakens actin filament branches formed by Arp2/3 complex.
Nat Commun, 15, 2024
8UXX
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BU of 8uxx by Molmil
Arp2/3 branch junction complex, BeFx state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Chavali, S.S, Chou, S.Z, Sindelar, C.V.
Deposit date:2023-11-11
Release date:2024-01-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures reveal how phosphate release from Arp3 weakens actin filament branches formed by Arp2/3 complex.
Nat Commun, 15, 2024
8UZ1
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BU of 8uz1 by Molmil
Straight actin filament from Arp2/3 branch junction sample (ADP-BeFx)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Chavali, S.S, Chou, S.Z, Sindelar, C.V.
Deposit date:2023-11-14
Release date:2024-01-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures reveal how phosphate release from Arp3 weakens actin filament branches formed by Arp2/3 complex.
Nat Commun, 15, 2024
8UZ0
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BU of 8uz0 by Molmil
Straight actin filament from Arp2/3 branch junction sample (ADP)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Chavali, S.S, Chou, S.Z, Sindelar, C.V.
Deposit date:2023-11-14
Release date:2024-01-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures reveal how phosphate release from Arp3 weakens actin filament branches formed by Arp2/3 complex.
Nat Commun, 15, 2024
8U7V
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BU of 8u7v by Molmil
Human retinal variant phosphomimetic IMPDH1(546)-S477D filament bound by GTP, ATP, IMP, and NAD+, interface-centered
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:Calise, S.J, Kollman, J.M.
Deposit date:2023-09-15
Release date:2024-01-31
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Light-sensitive phosphorylation regulates retinal IMPDH1 activity and filament assembly.
J.Cell Biol., 223, 2024
8U7M
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BU of 8u7m by Molmil
Human retinal variant phosphomimetic IMPDH1(595)-S477D free octamer bound by GTP, ATP, IMP, and NAD+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:Calise, S.J, Kollman, J.M.
Deposit date:2023-09-15
Release date:2024-01-31
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Light-sensitive phosphorylation regulates retinal IMPDH1 activity and filament assembly.
J.Cell Biol., 223, 2024
5DIV
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BU of 5div by Molmil
The Fk1 domain of FKBP51 in complex with the new synthetic ligand (S)-N-(1-carbamoylcyclopentyl)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamide
Descriptor: (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F.
Deposit date:2015-09-01
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
5DIU
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BU of 5diu by Molmil
The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
Authors:Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F.
Deposit date:2015-09-01
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
8BFY
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BU of 8bfy by Molmil
ABC transporter binding protein CebE from Streptomyces scabiei in complex with cellotriose
Descriptor: CITRIC ACID, GLYCEROL, Putative secreted cellobiose-binding (Transport system associated), ...
Authors:Rigali, S, Jourdan, S, Kerff, F.
Deposit date:2022-10-27
Release date:2023-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Common scab disease: structural basis of elicitor recognition in pathogenic Streptomyces species.
Microbiol Spectr, 11, 2023
4TW6
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BU of 4tw6 by Molmil
The Fk1 domain of FKBP51 in complex with iFit1
Descriptor: (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F.
Deposit date:2014-06-30
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
4TW8
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BU of 4tw8 by Molmil
The Fk1-Fk2 domains of FKBP52 in complex with iFit-FL
Descriptor: 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4
Authors:Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F.
Deposit date:2014-06-30
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
4TW7
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BU of 4tw7 by Molmil
The Fk1 domain of FKBP51 in complex with iFit4
Descriptor: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F.
Deposit date:2014-06-30
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
3HL2
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BU of 3hl2 by Molmil
The crystal structure of the human SepSecS-tRNASec complex
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Monothiophosphate, O-phosphoseryl-tRNA(Sec) selenium transferase, ...
Authors:Palioura, S, Steitz, T.A, Soll, D, Simonovic, M.
Deposit date:2009-05-26
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The human SepSecS-tRNASec complex reveals the mechanism of selenocysteine formation.
Science, 325, 2009
4CCS
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BU of 4ccs by Molmil
The structure of CbiX, the terminal Enzyme for Biosynthesis of Siroheme in Denitrifying Bacteria
Descriptor: 1,2-ETHANEDIOL, CBIX, D-MALATE, ...
Authors:Bali, S, Rollauer, S.E, Roversi, P, Raux-Deery, E, Lea, S.M, Warren, M.J, Ferguson, S.J.
Deposit date:2013-10-25
Release date:2014-04-09
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Characterization of the 'Missing' Terminal Enzyme for Siroheme Biosynthesis in Alpha-Proteobacteria.
Mol.Microbiol., 92, 2014
5HFT
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BU of 5hft by Molmil
Crystal structure of HpxW
Descriptor: Gamma-glutamyltranspeptidase
Authors:Ealick, S.E, Hicks, K.A.
Deposit date:2016-01-07
Release date:2016-06-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Biochemical and structural characterization of Klebsiella pneumoniae oxamate amidohydrolase in the uric acid degradation pathway.
Acta Crystallogr D Struct Biol, 72, 2016
3L9Q
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BU of 3l9q by Molmil
Crystal structure of human polymerase alpha-primase p58 iron-sulfur cluster domain
Descriptor: DNA primase large subunit, IRON/SULFUR CLUSTER, SULFATE ION
Authors:Vaithiyalingam, S, Eichman, B.F, Chazin, W.J.
Deposit date:2010-01-05
Release date:2010-07-14
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Insights into eukaryotic DNA priming from the structure and functional interactions of the 4Fe-4S cluster domain of human DNA primase.
Proc.Natl.Acad.Sci.USA, 107, 2010
6XH1
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BU of 6xh1 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.7 mutant
Descriptor: TAR binding protein mutant 6.7 Q48R/T50R, TRANS-ACTIVATION RESPONSE ELEMENT
Authors:Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020

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