2GNH
 
 | | PKA five fold mutant model of Rho-kinase with H1152P | | Descriptor: | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | Deposit date: | 2006-04-10 | | Release date: | 2006-05-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2GNJ
 | | PKA three fold mutant model of Rho-kinase with Y-27632 | | Descriptor: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | Deposit date: | 2006-04-10 | | Release date: | 2006-05-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2GP5
 | | Crystal structure of catalytic core domain of jmjd2A complexed with alpha-Ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, Jumonji domain-containing protein 2A, ... | | Authors: | Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G. | | Deposit date: | 2006-04-16 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural insights into histone demethylation by JMJD2 family members
Cell(Cambridge,Mass.), 125, 2006
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2GP3
 | | Crystal structure of the catalytic core domain of jmjd2a | | Descriptor: | FE (II) ION, Jumonji domain-containing protein 2A, ZINC ION | | Authors: | Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G. | | Deposit date: | 2006-04-16 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into histone demethylation by JMJD2 family members
Cell(Cambridge,Mass.), 125, 2006
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2GRB
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2GWH
 | | Human Sulfotranferase SULT1C2 in complex with PAP and pentachlorophenol | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, PENTACHLOROPHENOL, Sulfotransferase 1C2, ... | | Authors: | Tempel, W, Pan, P.W, Dombrovski, L, Allali-Hassani, A, Vedadi, M, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-04 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
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2H2K
 | | Crystal Structure Analysis of Human S100A13 | | Descriptor: | CALCIUM ION, Protein S100-A13 | | Authors: | Li, M, Zhang, P.F, Zhang, J.P, Chang, W.R. | | Deposit date: | 2006-05-19 | | Release date: | 2007-05-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure study on human S100A13 at 2.0 A resolution
Biochem.Biophys.Res.Commun., 356, 2007
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2H3G
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2H8K
 | | Human Sulfotranferase SULT1C3 in complex with PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, SULT1C3 splice variant d | | Authors: | Tempel, W, Dombrovski, L, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-07 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
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2IUZ
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine | | Descriptor: | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CHITINASE, SULFATE ION | | Authors: | Schuttelkopf, A.W, Andersen, O.A, Rao, F.V, Allwood, M, Lloyd, C.M, Eggleston, I.M, Van Aalten, D.M.F. | | Deposit date: | 2006-06-08 | | Release date: | 2006-06-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Screening-Based Discovery and Structural Dissection of a Novel Family 18 Chitinase Inhibitor
J.Biol.Chem., 281, 2006
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2HDE
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2J23
 | | Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family | | Descriptor: | THIOREDOXIN | | Authors: | Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R. | | Deposit date: | 2006-08-16 | | Release date: | 2006-11-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family.
J Immunol., 178, 2007
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2I3H
 | | Structure of an ML-IAP/XIAP chimera bound to a 4-mer peptide (AVPW) | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AVPW peptide, ... | | Authors: | Fairbrother, W.J, Franklin, M.C. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs.
Acs Chem.Biol., 1, 2006
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2I3I
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Fairbrother, W.J, Franklin, M.C. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs.
Acs Chem.Biol., 1, 2006
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2ILT
 | | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor | | Descriptor: | 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T. | | Deposit date: | 2006-10-03 | | Release date: | 2007-04-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2IRW
 | | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor | | Descriptor: | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Longenecker, K.L, Patel, J.R, Russell, J, Qin, W. | | Deposit date: | 2006-10-16 | | Release date: | 2007-01-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
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2J8J
 | | Solution Structure of the A4 Domain of Blood Coagulation Factor XI | | Descriptor: | COAGULATION FACTOR XI | | Authors: | Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H. | | Deposit date: | 2006-10-25 | | Release date: | 2007-10-02 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2J8L
 | | FXI Apple 4 domain loop-out conformation | | Descriptor: | COAGULATION FACTOR XI | | Authors: | Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H. | | Deposit date: | 2006-10-25 | | Release date: | 2007-10-02 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2NOV
 | | Breakage-reunion domain of S.pneumoniae topo IV: crystal structure of a gram-positive quinolone target | | Descriptor: | DNA topoisomerase 4 subunit A | | Authors: | Laponogov, I, Veselkov, D.A, Sohi, M.K, Pan, X.S, Achari, A, Yang, C, Ferrara, J.D, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2006-10-26 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Breakage-Reunion Domain of Streptococcus pneumoniae Topoisomerase IV: Crystal Structure of a Gram-Positive Quinolone Target.
PLoS ONE, 2, 2007
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2NXA
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2NYP
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2NZE
 | | Structure of beta-lactamase II from Bacillus cereus. R121H, C221S double mutant. Space group P3121. | | Descriptor: | ACETIC ACID, Beta-lactamase II, GLYCEROL, ... | | Authors: | Medrano Martin, F.J, Vila, A.J, Gonzalez, J.M. | | Deposit date: | 2006-11-23 | | Release date: | 2007-05-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Zn2 position in metallo-beta-lactamases is critical for activity: a study on chimeric metal sites on a conserved protein scaffold.
J.Mol.Biol., 373, 2007
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2NZF
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2NZW
 | | Crystal Structure of alpha1,3-Fucosyltransferase | | Descriptor: | Alpha1,3-fucosyltransferase, SULFATE ION | | Authors: | Sun, H.Y, Ko, T.P. | | Deposit date: | 2006-11-27 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and mechanism of Helicobacter pylori fucosyltransferase. A basis for lipopolysaccharide variation and inhibitor design.
J. Biol. Chem., 282, 2007
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2NZY
 | | Crystal Structure of alpha1,3-Fucosyltransferase with GDP-fucose | | Descriptor: | Alpha1,3-Fucosyltransferase, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Sun, H.Y, Ko, T.P. | | Deposit date: | 2006-11-27 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure and mechanism of Helicobacter pylori fucosyltransferase. A basis for lipopolysaccharide variation and inhibitor design.
J. Biol. Chem., 282, 2007
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