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PDB: 52230 results

4TL0
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BU of 4tl0 by Molmil
Crystal structure of death-associated protein kinase 1 with a crucial phosphomimicking mutation
Descriptor: AMMONIUM ION, Death-associated protein kinase 1, GLYCEROL, ...
Authors:Temmerman, K, Simon, B, Wilmanns, M.
Deposit date:2014-05-28
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of death-associated protein kinase 1 with a crucial phosphomimicking mutation
To Be Published
3P06
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BU of 3p06 by Molmil
Crystal structure of Tellina virus 1 VP4 protease in the form of an intra-molecular(cis)acyl-enzyme complex.
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
Authors:Chung, I.Y.W, Paetzel, M.
Deposit date:2010-09-27
Release date:2011-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a Viral Protease Intramolecular Acyl-enzyme Complex: INSIGHTS INTO cis-CLEAVAGE AT THE VP4/VP3 JUNCTION OF TELLINA BIRNAVIRUS.
J.Biol.Chem., 286, 2011
4RZD
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BU of 4rzd by Molmil
Crystal Structure of a PreQ1 Riboswitch
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, PreQ1-III Riboswitch (Class 3)
Authors:Wedekind, J.E, Liberman, J.A, Salim, M.
Deposit date:2014-12-20
Release date:2015-07-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural analysis of a class III preQ1 riboswitch reveals an aptamer distant from a ribosome-binding site regulated by fast dynamics.
Proc.Natl.Acad.Sci.USA, 112, 2015
7UDI
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BU of 7udi by Molmil
Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans
Descriptor: DNA damage response protein DdrC, SULFATE ION
Authors:Szabla, R, Li, M.C, Junop, M.S.
Deposit date:2022-03-19
Release date:2023-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:DdrC, a unique DNA repair factor from D. radiodurans, senses and stabilizes DNA breaks through a novel lesion-recognition mechanism.
Nucleic Acids Res., 2024
4TPH
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BU of 4tph by Molmil
Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2
Descriptor: 3,5 DIBROMOTYROSINE, ALANINE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Guettou, F, Quistgaard, E, Raba, M, Moberg, P, Low, C, Nordlund, P.
Deposit date:2014-06-07
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.155 Å)
Cite:Selectivity mechanism of a bacterial homolog of the human drug-peptide transporters PepT1 and PepT2.
Nat.Struct.Mol.Biol., 21, 2014
6HHN
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BU of 6hhn by Molmil
Crystal structure of L-rhamnose mutarotase FA22100 from Formosa agariphila
Descriptor: L-rhamnose mutarotase
Authors:Roret, T, Prechoux, A, Michel, G, Czjzek, M.
Deposit date:2018-08-28
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A marine bacterial enzymatic cascade degrades the algal polysaccharide ulvan.
Nat.Chem.Biol., 15, 2019
4TQX
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BU of 4tqx by Molmil
Molecular Basis of Streptococcus mutans Sortase A Inhibition by Chalcone.
Descriptor: ACETIC ACID, SULFATE ION, Sortase, ...
Authors:Wallock-Richards, D.J, Marles-Wright, J, Clarke, D.J, Maitra, A, Dodds, M, Hanley, B, Campopiano, D.J.
Deposit date:2014-06-12
Release date:2015-05-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Molecular basis of Streptococcus mutans sortase A inhibition by the flavonoid natural product trans-chalcone.
Chem.Commun.(Camb.), 51, 2015
6HCD
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BU of 6hcd by Molmil
Structure of universal stress protein from Archaeoglobus fulgidus
Descriptor: ACETATE ION, CHLORIDE ION, UNIVERSAL STRESS PROTEIN, ...
Authors:Shumilin, I.A, Loch, J.I, Cymborowski, M, Xu, X, Edwards, A, Di Leo, R, Shabalin, I.G, Joachimiak, A, Savchenko, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2018-08-14
Release date:2018-08-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional insight into the universal stress protein family.
Evol Appl, 6, 2013
4TT6
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BU of 4tt6 by Molmil
Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TTE
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BU of 4tte by Molmil
Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-20
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TOD
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BU of 4tod by Molmil
2.05A resolution structure of BfrB (D34F) from Pseudomonas aeruginosa
Descriptor: Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M.
Deposit date:2014-06-05
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
4TPR
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BU of 4tpr by Molmil
Structure of Tau5 antibody Fab fragment
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, CHLORIDE ION, ...
Authors:Cehlar, O, Skrabana, R, Novak, M.
Deposit date:2014-06-09
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Tau5 antibody Fab fragment
To Be Published
4TSX
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BU of 4tsx by Molmil
HIV-1 Integrase Catalytic Core Domain Mutant Complexed with Allosteric Inhibitor
Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2014-06-19
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The mechanism of H171T resistance reveals the importance of N -protonated His171 for the binding of allosteric inhibitor BI-D to HIV-1 integrase.
Retrovirology, 11, 2014
6H8T
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BU of 6h8t by Molmil
Crystal structure of Papain modify by achiral Ru(II)complex
Descriptor: ACETATE ION, CHLORIDE ION, Papain, ...
Authors:Cherrier, M.V, Amara, P, Talbi, B, Salmin, M, Fontecilla-Camps, J.C.
Deposit date:2018-08-03
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic evidence for unexpected selective tyrosine hydroxylations in an aerated achiral Ru-papain conjugate.
Metallomics, 10, 2018
4RTA
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BU of 4rta by Molmil
Cystal structure of the Dpy30 for MLL/SET1 COMPASS H3K4 trimethylation
Descriptor: FORMIC ACID, Protein dpy-30 homolog
Authors:Zhang, H.M, Li, M, Chang, W.R.
Deposit date:2014-11-14
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.123 Å)
Cite:Structural implications of Dpy30 oligomerization for MLL/SET1 COMPASS H3K4 trimethylation.
Protein Cell, 6, 2015
4RNY
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BU of 4rny by Molmil
Structure of Helicobacter pylori Csd3 from the orthorhombic crystal
Descriptor: Conserved hypothetical secreted protein, GLYCEROL, SULFATE ION, ...
Authors:An, D.R, Kim, H.S, Kim, J, Im, H.N, Yoon, H.J, Yoon, J.Y, Jang, J.Y, Hesek, D, Lee, M, Mobashery, S, Kim, S.-J, Lee, B.I, Suh, S.W.
Deposit date:2014-10-27
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Csd3 from Helicobacter pylori, a cell shape-determining metallopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
8RBX
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BU of 8rbx by Molmil
Structure of Integrator-PP2A bound to a paused RNA polymerase II-DSIF-NELF-nucleosome complex
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P.
Deposit date:2023-12-05
Release date:2024-02-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of Integrator-dependent RNA polymerase II termination.
Nature, 629, 2024
8RC4
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BU of 8rc4 by Molmil
Structure of Integrator-PP2A complex
Descriptor: DSS1, Integrator complex subunit 1, Integrator complex subunit 10, ...
Authors:Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P.
Deposit date:2023-12-06
Release date:2024-02-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of Integrator-dependent RNA polymerase II termination.
Nature, 629, 2024
4RW1
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BU of 4rw1 by Molmil
Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: original beam
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Foucar, L, Botha, S, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J.
Deposit date:2014-12-01
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization and use of the spent beam for serial operation of LCLS.
J.SYNCHROTRON RADIAT., 22, 2015
3DBS
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BU of 3dbs by Molmil
Structure of PI3K gamma in complex with GDC0941
Descriptor: 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Wiesmann, C, Ultsch, M.
Deposit date:2008-06-02
Release date:2008-06-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer
J.Med.Chem., 51, 2008
4TOA
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BU of 4toa by Molmil
1.95A resolution structure of Iron Bound BfrB (N148L) from Pseudomonas aeruginosa
Descriptor: Bacterioferritin, FE (II) ION, POTASSIUM ION, ...
Authors:Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M.
Deposit date:2014-06-05
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
4TPG
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BU of 4tpg by Molmil
Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2
Descriptor: Ala-L-3-Br-Tyr-Ala, DODECYL-BETA-D-MALTOSIDE, Proton:oligopeptide symporter POT family, ...
Authors:Guettou, F, Quistgaard, E.M, Raba, M, Moberg, P, Low, C, Nordlund, P.
Deposit date:2014-06-07
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.91 Å)
Cite:Selectivity mechanism of a bacterial homolog of the human drug-peptide transporters PepT1 and PepT2.
Nat.Struct.Mol.Biol., 21, 2014
7UWR
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BU of 7uwr by Molmil
KSQ+AT from first module of the pikromycin synthase
Descriptor: Narbonolide/10-deoxymethynolide synthase PikA1, modules 1 and 2
Authors:Keatinge-Clay, A.T, Dickinson, M.S, Miyazawa, T, McCool, R.S.
Deposit date:2022-05-03
Release date:2022-06-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Priming enzymes from the pikromycin synthase reveal how assembly-line ketosynthases catalyze carbon-carbon chemistry.
Structure, 30, 2022
4TTV
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BU of 4ttv by Molmil
Crystal structure of human ThrRS complexing with a bioengineered macrolide BC194
Descriptor: (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ...
Authors:Fang, P, Guo, M.
Deposit date:2014-06-23
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Aminoacyl-tRNA synthetase dependent angiogenesis revealed by a bioengineered macrolide inhibitor.
Sci Rep, 5, 2015
8R19
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BU of 8r19 by Molmil
SARS-CoV-2 Mpro (Omicron, P132H) free enzyme
Descriptor: 3C-like proteinase nsp5
Authors:Ibrahim, M, Sun, X, Hilgenfeld, R.
Deposit date:2023-11-01
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:SARS-CoV-2 Omicron (P132H) complex with alpha-ketoamide 13b-K at pH 6.5
To Be Published

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PDB entries from 2024-11-06

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