4E9H
 
 | | structure of glycosylase domain of MBD4 bound to 5hmU containing DNA | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*CP*GP*(5HU)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), Methyl-CpG-binding domain protein 4 | | Authors: | Morera, S, Vigouroux, A. | | Deposit date: | 2012-03-21 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biochemical and structural characterization of the glycosylase domain of MBD4 bound to thymine and 5-hydroxymethyuracil-containing DNA.
Nucleic Acids Res., 40, 2012
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4ECJ
 | | Crystal structure of glutathione s-transferase prk13972 (target efi-501853) from pseudomonas aeruginosa pacs2 complexed with glutathione | | Descriptor: | GLUTATHIONE, glutathione S-transferase | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-03-26 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structure of Glutathione S-Transferase Prk13972 from Pseudomonas Aeruginosa
To be Published
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4EE0
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | Descriptor: | 4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, Hematopoietic prostaglandin D synthase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, ... | | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | | Deposit date: | 2012-03-28 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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4EEI
 | | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... | | Authors: | Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-28 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.921 Å) | | Cite: | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate
To be Published
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4EC0
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | Descriptor: | 4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | | Deposit date: | 2012-03-26 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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4E4U
 | | Crystal structure of a putative Mandelate racemase/Muconate lactonizing enzyme (Target PSI-200780) from Burkholderia SAR-1 | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Mandalate racemase/muconate lactonizing enzyme | | Authors: | Kumar, P.R, Bonanno, J, Chowdhury, S, Foti, R, Gizzi, A, Hammonds, J, Hillerich, B, Matikainen, B, Seidel, R, Toro, R, Zencheck, W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-03-13 | | Release date: | 2012-04-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of a putative MR/ML enzyme from Burkholderia SAR-1
to be published
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4ELY
 | | CCDBVFI:GYRA14EC | | Descriptor: | CHLORIDE ION, CcdB, DNA gyrase subunit A, ... | | Authors: | De Jonge, N, Simic, R, Buts, L, Haesaerts, S, Roelants, K, Garcia-Pino, A, Sterckx, Y, De Greve, H, Lah, J, Loris, R. | | Deposit date: | 2012-04-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Alternative interactions define gyrase specificity in the CcdB family.
Mol.Microbiol., 84, 2012
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4EMY
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6DGE
 | | Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with N5-(1-imino-2-chloroethyl)-L-lysine | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine | | Authors: | Monzingo, A.F, Burstein-Teitelbaum, G, Er, J.A.V, Tuley, A, Fast, W. | | Deposit date: | 2018-05-17 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Dissection, Optimization, and Structural Analysis of a Covalent Irreversible DDAH1 Inhibitor.
Biochemistry, 57, 2018
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4EC3
 | | Structure of berberine bridge enzyme, H174A variant in complex with (S)-reticuline | | Descriptor: | (S)-reticuline, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Winkler, A, Macheroux, P, Gruber, K. | | Deposit date: | 2012-03-26 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6501 Å) | | Cite: | Catalytic and structural role of a conserved active site histidine in berberine bridge enzyme.
Biochemistry, 51, 2012
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4ES0
 | | X-ray structure of WDR5-SETd1b Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase SETD1B, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-21 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.817 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
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4EFK
 | | Pantothenate synthetase in complex with N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE | | Descriptor: | ETHANOL, GLYCEROL, IMIDAZOLE, ... | | Authors: | Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C. | | Deposit date: | 2012-03-29 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4EVR
 | | Crystal structure of ABC transporter from R. palustris - solute binding protein (RPA0668) in complex with benzoate | | Descriptor: | BENZOIC ACID, Putative ABC transporter subunit, substrate-binding component | | Authors: | Michalska, K, Mack, J.C, Zerbs, S, Collart, F.R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-04-26 | | Release date: | 2012-05-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins.
J.Mol.Biol., 423, 2012
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4EXJ
 | | Crystal structure of glutathione s-transferase like protein lelg_03239 (target efi-501752) from lodderomyces elongisporus | | Descriptor: | CHLORIDE ION, SULFATE ION, uncharacterized protein | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-04-30 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of glutathione s-transferase like protein lelg_03239 (target efi-501752) from lodderomyces elongisporus
To be Published
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4E4C
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4EY3
 | | Crystal structure of solute binding protein of ABC transporter in complex with p-hydroxybenzoic acid | | Descriptor: | P-HYDROXYBENZOIC ACID, Twin-arginine translocation pathway signal | | Authors: | Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-05-01 | | Release date: | 2012-05-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins.
J.Mol.Biol., 423, 2012
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4E7R
 | | Thrombin in complex with 3-amidinophenylalanine inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide, GLYCEROL, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2012-03-19 | | Release date: | 2012-06-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | New 3-amidinophenylalanine-derived inhibitors of matriptase
MEDCHEMCOMM, 3, 2012
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4E6B
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9AUR
 | | Crystal structure of loop-closed A21 2'-OMe dumbbell RNA bridged by glycine | | Descriptor: | Fab BL3-6 heavy chain, Fab BL3-6 light chain, GLYCINE, ... | | Authors: | Radakovic, A, Lewicka, A, Todisco, M, Aitken, H.R.M, Weiss, Z, Kim, S, Bannan, A, Piccirilli, J.A, Szostak, J.W. | | Deposit date: | 2024-02-29 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A potential role for RNA aminoacylation prior to its role in peptide synthesis.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9IJ6
 | | Crystal structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with Adenosine phosphate at 2.40 A resolution. | | Descriptor: | ADENOSINE MONOPHOSPHATE, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, ... | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-06-21 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with Adenosine phosphate at 2.40 A resolution.
To Be Published
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8ZN4
 | | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ... | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution
To Be Published
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9IIM
 | | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution. | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-06-20 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution.
To Be Published
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9IIL
 | | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide in the presence of poly(ethylene glycol) at 2.20 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-06-20 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide in the presence of poly(ethylene glycol) at 2.20 A resolution
To Be Published
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9BBH
 | | Co-crystal structure of human DDB1 bound to fragment UB028670 | | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-05 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
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9BBE
 | | Co-crystal structure of human DDB1 bound to fragment UB028668 | | Descriptor: | 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-05 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028668
To be published
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