3UDY
 
 | | Crystal Structure of BACE with Compound 11 | | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
|
|
3UJ2
 | | CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE | | Descriptor: | Enolase 1, MAGNESIUM ION, SULFATE ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-11-07 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE
to be published
|
|
3UC2
 | |
3UL3
 | |
3UCL
 | |
3UCG
 | |
3UDK
 | | Crystal Structure of BACE with Compound 6 | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
|
|
3UIF
 | | CRYSTAL STRUCTURE OF putative sulfonate ABC transporter, periplasmic sulfonate-binding protein SsuA from Methylobacillus flagellatus KT | | Descriptor: | GLYCEROL, SULFATE ION, Sulfonate ABC transporter, ... | | Authors: | Malashkevich, V.N, Bonanno, J.B, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-11-04 | | Release date: | 2011-11-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | CRYSTAL STRUCTURE OF putative sulfonate ABC transporter, periplasmic sulfonate-binding protein
SsuA from Methylobacillus flagellatus KT
To be Published
|
|
3UIO
 | | Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2 containing IR2 Motif II | | Descriptor: | E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | | Authors: | Gareau, J.R, Reverter, D, Lima, C.D. | | Deposit date: | 2011-11-05 | | Release date: | 2011-12-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2.
J.Biol.Chem., 287, 2012
|
|
3UFM
 | |
3UC0
 | | Crystal structure of domain I of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2 | | Descriptor: | GLYCEROL, Heavy chain, monoclonal antibody 5H2, ... | | Authors: | Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A. | | Deposit date: | 2011-10-25 | | Release date: | 2011-12-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus.
Embo J., 31, 2012
|
|
3UCW
 | | Structure of MG2+ bound N-Terminal domain of Calmodulin | | Descriptor: | Calmodulin, MAGNESIUM ION | | Authors: | Senguen, F.T, Grabarek, Z. | | Deposit date: | 2011-10-27 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | X-ray Structures of Magnesium and Manganese Complexes with the N-Terminal Domain of Calmodulin: Insights into the Mechanism and Specificity of Metal Ion Binding to an EF-Hand.
Biochemistry, 51, 2012
|
|
3UDE
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | | Authors: | Shaw, G, Shi, G, Ji, X. | | Deposit date: | 2011-10-28 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
|
|
3UDP
 | | Crystal Structure of BACE with Compound 12 | | Descriptor: | (4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
|
|
3UJ0
 | | Crystal structure of the inositol 1,4,5-trisphosphate receptor with ligand bound form. | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | | Authors: | Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P. | | Deposit date: | 2011-11-07 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural and functional conservation of key domains in InsP3 and ryanodine receptors.
Nature, 483, 2012
|
|
3UF4
 | |
3ULH
 | |
3UNL
 | | Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni | | Descriptor: | SULFATE ION, Steroid Delta-isomerase | | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | | Deposit date: | 2011-11-15 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni
To be Published
|
|
3UDG
 | | Structure of Deinococcus radiodurans SSB bound to ssDNA | | Descriptor: | 5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', Single-stranded DNA-binding protein, THYMIDINE-5'-PHOSPHATE | | Authors: | George, N.P, Ngo, K.V, Chitteni-Patu, S, Norais, C.A, Battista, J.R, Cox, M.M, Keck, J.L. | | Deposit date: | 2011-10-28 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and Cellular Dynamics of Deinococcus radiodurans Single-stranded DNA (ssDNA)-binding Protein (SSB)-DNA Complexes.
J.Biol.Chem., 287, 2012
|
|
3UMF
 | |
3UCY
 | |
3W15
 | | Structure of peroxisomal targeting signal 2 (PTS2) of Saccharomyces cerevisiae 3-ketoacyl-CoA thiolase in complex with Pex7p and Pex21p | | Descriptor: | 3-ketoacyl-CoA thiolase, peroxisomal, Maltose-binding periplasmic protein, ... | | Authors: | Pan, D, Nakatsu, T, Kato, H. | | Deposit date: | 2012-11-06 | | Release date: | 2013-07-03 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of peroxisomal targeting signal-2 bound to its receptor complex Pex7p-Pex21p
Nat.Struct.Mol.Biol., 20, 2013
|
|
3W41
 | | Crystal structure of RsbX in complex with magnesium in space group P21 | | Descriptor: | MAGNESIUM ION, Phosphoserine phosphatase RsbX | | Authors: | Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2013-01-04 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
|
|
3W42
 | | Crystal structure of RsbX in complex with manganese in space group P1 | | Descriptor: | MANGANESE (II) ION, Phosphoserine phosphatase RsbX | | Authors: | Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2013-01-04 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
|
|
3TN8
 | | CDK9/cyclin T in complex with CAN508 | | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-T1, Cyclin-dependent kinase 9, ... | | Authors: | Baumli, S, Hole, A.J, Endicott, J.E. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
|
|
