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4U6W
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BU of 4u6w by Molmil
HsMetAP (F220M) in complex with 1-amino-2-propylpentyl]phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U71
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BU of 4u71 by Molmil
HsMetAP(F309M) IN COMPLEX WITH 1- amino(cyclohexyl)methy)phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
3GJP
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BU of 3gjp by Molmil
Crystal structure of mutant coiled coil GCN4 leucine zipper
Descriptor: General control protein GCN4
Authors:Honnappa, S, Steinmetz, M.O.
Deposit date:2009-03-09
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of coiled-coil oligomerization-state specificity
Proc.Natl.Acad.Sci.USA, 107, 2010
4TY9
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BU of 4ty9 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: 5-(trifluoromethyl)pyridin-2-amine, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
3GNU
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BU of 3gnu by Molmil
Toxin fold as basis for microbial attack and plant defense
Descriptor: 25 kDa protein elicitor, CHLORIDE ION, GUANIDINE
Authors:Ottmann, C, Luberacki, B, Kuefner, I, Koch, W, Brunner, F, Weyand, M, Mattinen, L, Pirhonen, M, Anderluh, G, Seitz, H.U, Nuernberger, T, Oecking, C.
Deposit date:2009-03-18
Release date:2009-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A common toxin fold mediates microbial attack and plant defense
Proc.Natl.Acad.Sci.USA, 106, 2009
4TYB
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BU of 4tyb by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: (2R)-morpholin-4-yl(phenyl)ethanenitrile, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
3GRR
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BU of 3grr by Molmil
Crystal Structure of the complex between S-Adenosyl Homocysteine and Methanocaldococcus jannaschi Dim1.
Descriptor: Dimethyladenosine transferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-03-26
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010
3GRV
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BU of 3grv by Molmil
Crystal Structure of the Complex between Adenosine and Methanocaldococcus jannaschi Dim1
Descriptor: ADENOSINE, Dimethyladenosine transferase, SULFATE ION
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-03-26
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010
7WA8
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BU of 7wa8 by Molmil
Strigolactone receptors in Striga ShHTL7
Descriptor: Hyposensitive to light 7
Authors:Wang, Y, Yao, R.
Deposit date:2021-12-12
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Molecular basis for high ligand sensitivity and selectivity of strigolactone receptors in Striga.
Plant Physiology, Volume 185, 2021
3H1G
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BU of 3h1g by Molmil
Crystal structure of Chey mutant T84A of helicobacter pylori
Descriptor: Chemotaxis protein cheY homolog, MAGNESIUM ION, SULFATE ION
Authors:Lam, K.H, Ling, T.K, Au, S.W.
Deposit date:2009-04-12
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of activated CheY1 from Helicobacter pylori.
J.Bacteriol., 192, 2010
4XN2
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BU of 4xn2 by Molmil
Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Leucine
Descriptor: Aminopeptidase N, GLYCEROL, LEUCINE, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Leucine
To Be Published
4TYA
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BU of 4tya by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: 4-(trifluoromethyl)benzoic acid, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
6G5U
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BU of 6g5u by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Carbonic anhydrase 13, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2018-03-30
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
4ZAU
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BU of 4zau by Molmil
AZD9291 complex with wild type EGFR
Descriptor: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M.
Deposit date:2015-04-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
4R56
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BU of 4r56 by Molmil
Crystal structure of Sulfolobus Cren7-dsDNA(GTGATCAC) complex
Descriptor: Chromatin protein Cren7, DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3')
Authors:Zhang, Z.F, Gong, Y, Chen, Y.Y, Li, H.B, Huang, L.
Deposit date:2014-08-20
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into the interaction between Cren7 and DNA: the role of loop beta 3-beta 4
Extremophiles, 19, 2015
4QQ8
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BU of 4qq8 by Molmil
Crystal structure of the formolase FLS in space group P 43 21 2
Descriptor: 1,2-ETHANEDIOL, Formolase, MAGNESIUM ION, ...
Authors:Shen, B.W, Siegel, J.B, Stoddard, B.L.
Deposit date:2014-06-26
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZFP
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BU of 4zfp by Molmil
A new crystal structure for the adduct formed in the reaction between AuSac2, a cytotoxic homoleptic gold(I) compound with the saccharinate ligand, and the model protein hen egg white lysozyme
Descriptor: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
Authors:Merlino, A.
Deposit date:2015-04-21
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural evidences for a secondary gold binding site in the hydrophobic box of lysozyme.
Biometals, 28, 2015
2F35
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BU of 2f35 by Molmil
Crystal Structure of the GluR5 Ligand Binding Core with UBP302 At 1.87 Angstroms Resolution
Descriptor: (S)-1-(2-AMINO-2-CARBOXYETHYL)-3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-DIONE, CHLORIDE ION, GLUTAMATE RECEPTOR, ...
Authors:Mayer, M.L.
Deposit date:2005-11-18
Release date:2006-04-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structures of the kainate receptor GluR5 ligand binding core dimer with novel GluR5-selective antagonists.
J.Neurosci., 26, 2006
3H1F
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BU of 3h1f by Molmil
Crystal structure of CheY mutant D53A of Helicobacter pylori
Descriptor: Chemotaxis protein cheY homolog, MAGNESIUM ION, SULFATE ION
Authors:Lam, K.H, Ling, T.K, Au, S.W.
Deposit date:2009-04-12
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of activated CheY1 from Helicobacter pylori.
J.Bacteriol., 192, 2010
4U75
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BU of 4u75 by Molmil
HsMetAP (F309M) in complex with Methionine
Descriptor: COBALT (II) ION, GLYCEROL, METHIONINE, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
2FU0
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BU of 2fu0 by Molmil
Plasmodium falciparum cyclophilin PFE0505w putative cyclosporin-binding domain
Descriptor: cyclophilin, putative
Authors:Dong, A, Lew, J, Sundararajan, E, Zhao, Y, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2006-01-25
Release date:2006-02-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3H3P
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BU of 3h3p by Molmil
Crystal structure of HIV epitope-scaffold 4E10 Fv complex
Descriptor: 4E10_S0_1TJLC_004_N, CALCIUM ION, Fv 4E10 heavy chain, ...
Authors:Holmes, M.A.
Deposit date:2009-04-16
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interactions between lipids and human anti-HIV antibody 4E10 can be reduced without ablating neutralizing activity
J.Virol., 84, 2010
4UCF
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BU of 4ucf by Molmil
Crystal structure of Bifidobacterium bifidum beta-galactosidase in complex with alpha-galactose
Descriptor: BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, N-PROPANOL, ...
Authors:Godoy, A.S, Murakami, M.T, Camilo, C.M, Bernardes, A, Polikarpov, I.
Deposit date:2014-12-03
Release date:2016-01-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of Beta1-6-Galactosidase from Bifidobacterium Bifidum S17: Trimeric Architecture, Molecular Determinants of the Enzymatic Activity and its Inhibition by Alpha-Galactose.
FEBS J., 283, 2016
3GLZ
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BU of 3glz by Molmil
Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11)
Descriptor: 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
Deposit date:2009-03-12
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis
Plos One, 4, 2009
4U6Z
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BU of 4u6z by Molmil
HsMetAP(F309M) in complex with 1-amino-2-propylpentyl)phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-04-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015

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