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3REP
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BU of 3rep by Molmil
Crystal structure of the ILK/alpha-parvin core complex (MnATP)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Alpha-parvin, Integrin-linked kinase, ...
Authors:Fukuda, K, Qin, J.
Deposit date:2011-04-04
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the ILK/alpha-parvin core complex (MnATP)
To be Published
3UK3
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BU of 3uk3 by Molmil
Crystal structure of ZNF217 bound to DNA
Descriptor: 5'-D(*AP*AP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', CHLORIDE ION, ...
Authors:Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P.
Deposit date:2011-11-08
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rediscovering DNA recognition by classical Zinc Fingers.
To be Published
3IMJ
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BU of 3imj by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic
Descriptor: (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester, Growth factor receptor-bound protein 2
Authors:Clements, J.H.
Deposit date:2009-08-10
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
5ZDL
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BU of 5zdl by Molmil
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Glutamine--tRNA ligase
Authors:Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
Deposit date:2018-02-23
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
3IN8
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BU of 3in8 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic
Descriptor: FORMIC ACID, Growth factor receptor-bound protein 2, N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide
Authors:Benfield, A.P, Clements, J.H.
Deposit date:2009-08-11
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
6A2F
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BU of 6a2f by Molmil
Crystal structure of biosynthetic alanine racemase from Pseudomonas aeruginosa
Descriptor: ACETATE ION, Alanine racemase, biosynthetic, ...
Authors:Dong, H, Li, S.
Deposit date:2018-06-11
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enzymatic characterization and crystal structure of biosynthetic alanine racemase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 503, 2018
5XM7
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BU of 5xm7 by Molmil
Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-hydroxy-4-methylpentanamide
Descriptor: (2S)-4-methyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:Marapaka, A.K, Zhang, Y, Addlagatta, A.
Deposit date:2017-05-12
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization
Chin.Chem.Lett., 33, 2022
5XVV
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BU of 5xvv by Molmil
Crystal Structure of Forward Inhibited Aspergillus niger Glutamate Dehydrogenase With Both Apo- and Alpha Ketoglutarate Bound Subunits
Descriptor: 2-OXOGLUTARIC ACID, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Prakash, P, Punekar, N.S, Bhaumik, P.
Deposit date:2017-06-28
Release date:2018-03-21
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for the catalytic mechanism and alpha-ketoglutarate cooperativity of glutamate dehydrogenase.
J. Biol. Chem., 293, 2018
3IN7
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BU of 3in7 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic
Descriptor: Growth factor receptor-bound protein 2, N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide
Authors:Clements, J.H.
Deposit date:2009-08-11
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
4LZS
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BU of 4lzs by Molmil
Crystal Structure of BRD4(1) bound to inhibitor XD46
Descriptor: 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S.
Deposit date:2013-08-01
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
6A4N
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BU of 6a4n by Molmil
HEWL crystals soaked in 2.5M GuHCl for 8 minutes
Descriptor: CHLORIDE ION, GLYCEROL, GUANIDINE, ...
Authors:Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V.
Deposit date:2018-06-20
Release date:2019-03-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding.
Int. J. Biol. Macromol., 122, 2019
3IPZ
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BU of 3ipz by Molmil
Crystal structure of Arabidopsis monothiol glutaredoxin AtGRXcp
Descriptor: Monothiol glutaredoxin-S14, chloroplastic
Authors:Li, L, Cheng, N, Wang, X.
Deposit date:2009-08-18
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Arabidopsis chloroplastic monothiol glutaredoxin AtGRXcp.
Acta Crystallogr.,Sect.D, 66, 2010
1JFF
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BU of 1jff by Molmil
Refined structure of alpha-beta tubulin from zinc-induced sheets stabilized with taxol
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lowe, J, Li, H, Downing, K.H, Nogales, E.
Deposit date:2001-06-20
Release date:2001-09-19
Last modified:2023-08-16
Method:ELECTRON CRYSTALLOGRAPHY (3.5 Å)
Cite:Refined structure of alpha beta-tubulin at 3.5 A resolution.
J.Mol.Biol., 313, 2001
5Y3I
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BU of 5y3i by Molmil
Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-N-hydroxy-4-methyl-2-(3-(3-methylbenzyl)ureido)pentanamide
Descriptor: (2R)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:Marapaka, A.K, Zhang, Y, Addlagatta, A.
Deposit date:2017-07-28
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-N-hydroxy-4-methyl-2-(3-(3-methylbenzyl)ureido)pentanamide
To Be Published
6A4J
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BU of 6a4j by Molmil
Crystal structure of Thioredoxin reductase 2 from Staphylococcus aureus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase
Authors:Bose, M, Bhattacharyya, S, Ghosh, A.K, Das, A.K.
Deposit date:2018-06-20
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: A structural insight.
Biochimie, 160, 2019
3IMD
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BU of 3imd by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ...
Authors:Clements, J.H.
Deposit date:2009-08-10
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and Structural Effects of Conformational Constraints in Protein-Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization.
J.Am.Chem.Soc., 131, 2009
5Y1S
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BU of 5y1s by Molmil
Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3,4-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide
Descriptor: (2R)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, (2S)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, ...
Authors:Marapaka, A.K, Zhang, Y, Addlagatta, A.
Deposit date:2017-07-21
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3,4-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide
To Be Published
3KHY
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BU of 3khy by Molmil
Crystal Structure of a propionate kinase from Francisella tularensis subsp. tularensis SCHU S4
Descriptor: Propionate kinase
Authors:Brunzelle, J.S, Skarina, T, Sharma, S, Wang, Y, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-10-31
Release date:2010-01-19
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Crystal Structure of a propionate kinase from Francisella tularensis subsp. tularensis SCHU S4
To be Published
5YQB
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BU of 5yqb by Molmil
Crystal structure of E.coli aminopeptidase N in complex with Puromycin
Descriptor: (2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-3-FURANOL, Aminopeptidase N, GLYCEROL, ...
Authors:Marapaka, A.K, Ganji, R.J, Reddi, R, Addlagatta, A.
Deposit date:2017-11-06
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Puromycin, a selective inhibitor of PSA acts as a substrate for other M1 family aminopeptidases: Biochemical and structural basis
Int.J.Biol.Macromol., 165, 2020
3KPY
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BU of 3kpy by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole
Descriptor: 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
5CG0
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BU of 5cg0 by Molmil
Crystal structure of Spodoptera frugiperda Beta-glycosidase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tamaki, F.K, Souza, D.P, Souza, V.P, Farah, S.C, Marana, S.R.
Deposit date:2015-07-08
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Using the Amino Acid Network to Modulate the Hydrolytic Activity of beta-Glycosidases.
PLoS ONE, 11, 2016
5Y1V
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BU of 5y1v by Molmil
Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,6-diethylphenyl)ureido)- N-hydroxy-4-methylpentanamide
Descriptor: (2R)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ...
Authors:Marapaka, A.K, Zhang, Y, Addlagatta, A.
Deposit date:2017-07-21
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,6-diethylphenyl)ureido)- N-hydroxy-4-methylpentanamide
To Be Published
5YD2
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BU of 5yd2 by Molmil
Crystal Structure of Delta 4 mutant of EhPSAT (Phosphoserine aminotransferase of Entamoeba histolytica)
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
Authors:Singh, R.K, Gourinath, S.
Deposit date:2017-09-10
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:N-terminal residues are crucial for quaternary structure and active site conformation for the phosphoserine aminotransferase from enteric human parasite E. histolytica.
Int.J.Biol.Macromol., 132, 2019
5YIE
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BU of 5yie by Molmil
Crystal Structure of KNI-10742 bound Plasmepsin II (PMII) from Plasmodium falciparum
Descriptor: (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ...
Authors:Mishra, V, Rathore, I, Bhaumik, P.
Deposit date:2017-10-04
Release date:2018-07-11
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
5YQ8
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BU of 5yq8 by Molmil
Crystal structure of retroviral protease-like domain of Ddi1 from Leishmania major
Descriptor: DNA-damage inducible protein DDI1-like protein
Authors:Suguna, K, Kumar, S.
Deposit date:2017-11-06
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the retroviral protease-like domain of a protozoal DNA damage-inducible 1 protein.
FEBS Open Bio, 8, 2018

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