3S8P
 
 | | Crystal Structure of the SET Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 In Complex With S-Adenosyl-L-Methionine | | Descriptor: | Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ZINC ION | | Authors: | Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-05-30 | | Release date: | 2011-07-06 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2.
Febs Lett., 587, 2013
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3S97
 | | PTPRZ CNTN1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-1, Receptor-type tyrosine-protein phosphatase zeta | | Authors: | Bouyain, S. | | Deposit date: | 2011-05-31 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2971 Å) | | Cite: | A complex between contactin-1 and the protein tyrosine phosphatase PTPRZ controls the development of oligodendrocyte precursor cells.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3SK6
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3SA4
 | | Crystal structure of wild-type HIV-1 protease in complex with AF72 | | Descriptor: | ACETATE ION, N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide, PHOSPHATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2011-06-02 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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3SAC
 | | Crystal structure of wild-type HIV-1 protease in complex with AF80 | | Descriptor: | 3-hydroxy-N-{(2S,3R)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide, PHOSPHATE ION, Protease | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2011-06-02 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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3SBI
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-[(2-pyrimidinylsulfanyl)acetyl]benzenesulfonamide | | Descriptor: | 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | Authors: | Grazulis, S, Manakova, E, Tamulaitiene, G. | | Deposit date: | 2011-06-05 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3SL3
 | | Crystal structure of the apo form of the catalytic domain of PDE4D2 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Feil, S.F. | | Deposit date: | 2011-06-24 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
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3SBU
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3SNV
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3SO5
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3S29
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3SH5
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3S4C
 | | Lactose phosphorylase in complex with sulfate | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Lactose Phosphorylase, SULFATE ION | | Authors: | Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S. | | Deposit date: | 2011-05-19 | | Release date: | 2012-06-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
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3S5T
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3SHZ
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | | Deposit date: | 2011-06-17 | | Release date: | 2011-08-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.449 Å) | | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
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3TKQ
 | | Crystal structure of full-length human peroxiredoxin 4 with mixed conformation | | Descriptor: | Peroxiredoxin-4 | | Authors: | Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C. | | Deposit date: | 2011-08-28 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
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3TJP
 | | Crystal Structure of PI3K gamma with N6-(3,4-dimethoxyphenyl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine | | Descriptor: | N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Knapp, M.S, Elling, R.A, Ornelas, E. | | Deposit date: | 2011-08-24 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Identification of 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine (NVP-BKM120) as a Potent, Selective and Orally Bioavailable Class I PI3 Kinase Inhibitor for the Treatment of Cancer
To be Published
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3TP7
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3TP2
 | | Crystal Structure of the Splicing Factor Cwc2 from yeast | | Descriptor: | Pre-mRNA-splicing factor CWC2, SODIUM ION, ZINC ION | | Authors: | Schmitzova, J. | | Deposit date: | 2011-09-07 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Cwc2 reveals a novel architecture of a multipartite RNA-binding protein.
Embo J., 31, 2012
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3TPP
 | | Crystal structure of BACE1 complexed with an inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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3TQN
 | | Structure of the transcriptional regulator of the GntR family, from Coxiella burnetii. | | Descriptor: | Transcriptional regulator, GntR family | | Authors: | Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQZ
 | | Structure of a deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) from Coxiella burnetii | | Descriptor: | Deoxyuridine 5'-triphosphate nucleotidohydrolase, SULFATE ION | | Authors: | Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-21 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQT
 | | Structure of the D-alanine-D-alanine ligase from Coxiella burnetii | | Descriptor: | D-alanine--D-alanine ligase | | Authors: | Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TR6
 | | Structure of a O-methyltransferase from Coxiella burnetii | | Descriptor: | NICKEL (II) ION, O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TRB
 | | Structure of an addiction module antidote protein of a HigA (higA) family from Coxiella burnetii | | Descriptor: | Virulence-associated protein I | | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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