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3QCM
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Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid, Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCL
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BU of 3qcl by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid
Descriptor: 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid, Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QK1
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BU of 3qk1 by Molmil
Crystal Structure of Enterokinase-like Trypsin Variant
Descriptor: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
Authors:Schoepfel, M, Tziridis, A, Arnold, U, Stubbs, M.T.
Deposit date:2011-01-31
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Towards a restriction proteinase: construction of a self-activating enzyme.
Chembiochem, 12, 2011
3QK9
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BU of 3qk9 by Molmil
Yeast Tim44 C-terminal domain complexed with Cymal-3
Descriptor: CHLORIDE ION, Mitochondrial import inner membrane translocase subunit TIM44
Authors:Cui, W, Josyula, R, Fu, Z, Sha, B.
Deposit date:2011-01-31
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Membrane Binding Mechanism of Yeast Mitochondrial Peripheral Membrane Protein TIM44.
Protein Pept.Lett., 18, 2011
3QXR
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BU of 3qxr by Molmil
Crystal structure of the brominated CKIT-1 proto-oncogene promoter quadruplex DNA
Descriptor: 5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*(BRU)P*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3', MAGNESIUM ION, POTASSIUM ION
Authors:Wei, D, Parkinson, G.N, Neidle, S.
Deposit date:2011-03-02
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of a c-kit promoter quadruplex reveals the structural role of metal ions and water molecules in maintaining loop conformation.
Nucleic Acids Res., 40, 2012
3RRF
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BU of 3rrf by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-04-29
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RRS
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BU of 3rrs by Molmil
Crystal structure analysis of cellobiose phosphorylase from Cellulomonas uda
Descriptor: Cellobiose phosphorylase
Authors:Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S.
Deposit date:2011-04-30
Release date:2012-05-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
3RTD
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BU of 3rtd by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADH and ADP.
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE-5'-DIPHOSPHATE, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-05-03
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RPH
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BU of 3rph by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+.
Descriptor: ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, MAGNESIUM ION, ...
Authors:Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-26
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3R0K
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BU of 3r0k by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate bound, no Mg
Descriptor: D(-)-TARTARIC ACID, Enzyme of enolase superfamily, GLYCEROL, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-08
Release date:2011-03-30
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ROE
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BU of 3roe by Molmil
Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Thymidine
Descriptor: Apolipoprotein A-I-binding protein, THYMIDINE
Authors:Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W.
Deposit date:2011-04-25
Release date:2012-07-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3R3S
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BU of 3r3s by Molmil
Structure of the YghA Oxidoreductase from Salmonella enterica
Descriptor: FORMIC ACID, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-03-16
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of the YghA Oxidoreductase from Salmonella enterica
TO BE PUBLISHED
3RQX
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BU of 3rqx by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis in complex with P1,P4-Di(adenosine-5') tetraphosphate
Descriptor: ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, ...
Authors:Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-28
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RRB
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BU of 3rrb by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, POTASSIUM ION, ...
Authors:Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
Deposit date:2011-04-29
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3R9Y
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BU of 3r9y by Molmil
Crystal Structure of StWhy2 K67A (form I)
Descriptor: PHOSPHATE ION, Why2 protein
Authors:Cappadocia, L, Brisson, N, Sygusch, J.
Deposit date:2011-03-26
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A conserved lysine residue of plant Whirly proteins is necessary for higher order protein assembly and protection against DNA damage.
Nucleic Acids Res., 40, 2012
3TSQ
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BU of 3tsq by Molmil
Crystal structure of E. coli HypF with ATP and Carbamoyl phosphate
Descriptor: 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-13
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
3U02
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BU of 3u02 by Molmil
Crystal Structure of the tRNA modifier TiaS from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR225
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, CITRIC ACID, ...
Authors:Kuzin, A, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-28
Release date:2011-11-02
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Crystal Structure of the tRNA modifier TiaS from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR225
To be Published
3U1Q
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BU of 3u1q by Molmil
Crystal Structure of M. tuberculosis LD-transpeptidase type 2 with 2-Mercaptoethanol
Descriptor: BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, Mycobacteria Tuberculosis LD-transpeptidase type 2
Authors:Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M.
Deposit date:2011-09-30
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of Mycobacterium tuberculosis L,D-transpeptidase 2 provides insights into targeting the cell wall of persisters
to be published
3TVK
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BU of 3tvk by Molmil
Diguanylate cyclase domain of DgcZ
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), D(-)-TARTARIC ACID, Diguanylate cyclase DgcZ, ...
Authors:Zaehringer, F, Schirmer, T.
Deposit date:2011-09-20
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and signaling mechanism of a zinc-sensory diguanylate cyclase.
Structure, 21, 2013
3U0T
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BU of 3u0t by Molmil
Fab-antibody complex
Descriptor: Amyloid beta A4 protein, ponezumab HC Fab, ponezumab LC Fab
Authors:LaPorte, S.L, Pons, J.P.
Deposit date:2011-09-29
Release date:2012-01-11
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of C-terminal beta-Amyloid Peptide Binding by the Antibody Ponezumab for the Treatment of Alzheimer's Disease
J.Mol.Biol., 421, 2012
3U51
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BU of 3u51 by Molmil
Src in complex with DNA-templated macrocyclic inhibitor MC1
Descriptor: Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC1
Authors:Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M.
Deposit date:2011-10-10
Release date:2012-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.241 Å)
Cite:Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Nat.Chem.Biol., 8, 2012
3TSP
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BU of 3tsp by Molmil
Crystal structure of E. coli HypF
Descriptor: MAGNESIUM ION, Transcriptional regulatory protein, ZINC ION
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-13
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
3TZ3
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BU of 3tz3 by Molmil
Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 2
Descriptor: 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase
Authors:Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F.
Deposit date:2011-09-26
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
3TPQ
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BU of 3tpq by Molmil
Crystal structure of wild-type MAL RPEL domain in complex with five G-actins
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Hirano, H, Matsuura, Y.
Deposit date:2011-09-08
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Sensing actin dynamics: structural basis for G-actin-sensitive nuclear import of MAL
Biochem.Biophys.Res.Commun., 414, 2011
3Q88
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BU of 3q88 by Molmil
Glucose-6-phosphate isomerase from Francisella tularensis complexed with ribose 1,5-bisphosphate.
Descriptor: 1,5-di-O-phosphono-alpha-D-ribofuranose, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-06
Release date:2011-01-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Glucose-6-phosphate isomerase from Francisella tularensis.
To be Published

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