4IR6
 
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A) | | Descriptor: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-14 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
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4H4D
 | | IspH in complex with (E)-4-amino-3-methylbut-2-enyl diphosphate | | Descriptor: | (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M. | | Deposit date: | 2012-09-17 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4H6O
 | | Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole | | Descriptor: | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | Authors: | Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I. | | Deposit date: | 2012-09-19 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
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4HH1
 | | Dark-state structure of AppA wild-type without the Cys-rich region from Rb. sphaeroides | | Descriptor: | AppA protein, FLAVIN MONONUCLEOTIDE | | Authors: | Winkler, A, Heintz, U, Lindner, R, Reinstein, J, Shoeman, R, Schlichting, I. | | Deposit date: | 2012-10-09 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | A ternary AppA-PpsR-DNA complex mediates light regulation of photosynthesis-related gene expression.
Nat.Struct.Mol.Biol., 20, 2013
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4GRA
 | | Crystal structure of SULT1A1 bound with PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1 | | Authors: | Kim, J, Cook, I, Wang, T, Falany, C.N, Leyh, T.S, Almo, S.C. | | Deposit date: | 2012-08-24 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | The gate that governs sulfotransferase selectivity.
Biochemistry, 52, 2013
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4GZF
 | | Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide | | Descriptor: | LrF peptide, Protease | | Authors: | Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C. | | Deposit date: | 2012-09-06 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
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4H3Q
 | | Crystal structure of human ERK2 complexed with a MAPK docking peptide | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Gogl, G, Toeroe, I, Remenyi, A. | | Deposit date: | 2012-09-14 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase
Acta Crystallogr.,Sect.D, 69, 2013
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4I78
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4IBA
 | | Bovine beta-lactoglobulin (isoform B) in complex with dodecyl sulphate (SDS) | | Descriptor: | DODECYL SULFATE, GLYCEROL, beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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4IB7
 | | Bovine beta-lactoglobulin (isoform A) in complex with dodecyltrimethylammonium (DTAC) | | Descriptor: | DODECANE-TRIMETHYLAMINE, beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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4H3P
 | | Crystal structure of human ERK2 complexed with a MAPK docking peptide | | Descriptor: | Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1 | | Authors: | Gogl, G, Toeroe, I, Remenyi, A. | | Deposit date: | 2012-09-14 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase
Acta Crystallogr.,Sect.D, 69, 2013
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4HF5
 | | Crystal structure of Fab 8F8 in complex a H2N2 influenza virus hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 8F8 heavy chain, Fab 8F8 light chain, ... | | Authors: | Xu, R, Wilson, I.A. | | Deposit date: | 2012-10-04 | | Release date: | 2013-02-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin.
Nat.Struct.Mol.Biol., 20, 2013
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4GSP
 | | RIBONUCLEASE T1 COMPLEXED WITH 2',3'-CGPS + 3'-GMP, 7 DAYS | | Descriptor: | CALCIUM ION, GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE, GUANOSINE-3'-MONOPHOSPHATE, ... | | Authors: | Zegers, I, Wyns, L. | | Deposit date: | 1997-12-02 | | Release date: | 1998-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Hydrolysis of a slow cyclic thiophosphate substrate of RNase T1 analyzed by time-resolved crystallography.
Nat.Struct.Biol., 5, 1998
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4GUZ
 | | Structure of the arylamine N-acetyltransferase from Mycobacterium abscessus | | Descriptor: | Probable arylamine n-acetyl transferase | | Authors: | Kubiak, X, Li de la Sierra-Gallay, I, Haouz, A, Weber, P, Rodrigues-Lima, F. | | Deposit date: | 2012-08-30 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional characterization of an arylamine N-acetyltransferase from the pathogen Mycobacterium abscessus: differences from other mycobacterial isoforms and implications for selective inhibition.
Acta Crystallogr.,Sect.D, 70, 2014
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4GCW
 | | Crystal structure of RNase Z in complex with precursor tRNA(Thr) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ribonuclease Z, TRNA(THR), ... | | Authors: | Pellegrini, O, Li de la Sierra-Gallay, I, Piton, J, Gilet, L, Condon, C. | | Deposit date: | 2012-07-31 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Activation of tRNA Maturation by Downstream Uracil Residues in B. subtilis
Structure, 20, 2012
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4GCY
 | | Structure of Mycobacterium tuberculosis dUTPase H21W mutant | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Toth, J, Vertessy, B.G, Leveles, I, Bendes, A. | | Deposit date: | 2012-07-31 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | RAMD identification of substrate binding pathways to the active site of dUTPase
To be Published
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4GMO
 | | Crystal structure of Syo1 | | Descriptor: | Putative uncharacterized protein | | Authors: | Bange, G, Sinning, I. | | Deposit date: | 2012-08-16 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synchronizing nuclear import of ribosomal proteins with ribosome assembly.
Science, 338, 2012
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4GFQ
 | | 2.65 Angstrom Resolution Crystal Structure of Ribosome Recycling Factor (frr) from Bacillus anthracis | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-08-03 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 2.65 Angstrom Resolution Crystal Structure of Ribosome Recycling Factor (frr) from Bacillus anthracis
TO BE PUBLISHED
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4GMQ
 | | Ribosome-binding domain of Zuo1 | | Descriptor: | Putative ribosome associated protein | | Authors: | Kopp, J, Bange, G, Sinning, I. | | Deposit date: | 2012-08-16 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural characterization of a eukaryotic chaperone-the ribosome-associated complex.
Nat.Struct.Mol.Biol., 20, 2013
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4IKI
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6NRP
 | | Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii | | Descriptor: | 3-oxoacyl-ACP reductase FabG | | Authors: | Cross, E.M, Smith, K.M, Shaw, K.I, Aragao, D, Forwood, J.K. | | Deposit date: | 2019-01-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases.
Sci Rep, 11, 2021
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4IB6
 | | Bovine beta-lactoglobulin (isoform A) in complex with lauric acid (C12) | | Descriptor: | Beta-lactoglobulin, LAURIC ACID | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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4IFR
 | | 2.40 Angstroms X-ray crystal structure of R239A 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase from Pseudomonas fluorescens | | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, ZINC ION | | Authors: | Huo, L, Davis, I, Chen, L, Liu, A. | | Deposit date: | 2012-12-14 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.391 Å) | | Cite: | The power of two: arginine 51 and arginine 239* from a neighboring subunit are essential for catalysis in alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase.
J.Biol.Chem., 288, 2013
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4IFK
 | | Arginines 51 and 239* from a Neighboring Subunit are Essential for Catalysis in a Zinc-dependent Decarboxylase | | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION | | Authors: | Huo, L, Davis, I, Chen, L, Liu, A. | | Deposit date: | 2012-12-14 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | The power of two: arginine 51 and arginine 239* from a neighboring subunit are essential for catalysis in alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase.
J.Biol.Chem., 288, 2013
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4IH8
 | | Crystal structure of TgCDPK1 with inhibitor bound | | Descriptor: | 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, Calmodulin-domain protein kinase 1 | | Authors: | El Bakkouri, M, Tempel, W, Crandall, I, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, K, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-18 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.877 Å) | | Cite: | Crystal structure of TgCDPK1 with inhibitor bound
To be Published
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