3QPU
 
 | | PFKFB3 in complex with PPi | | Descriptor: | 1,2-ETHANEDIOL, 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3, PYROPHOSPHATE 2-, ... | | Authors: | Cavalier, M.C, Kim, S.G, Neau, D, Lee, Y.H. | | Deposit date: | 2011-02-14 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: Transition state and the C-terminal function.
Proteins, 80, 2012
|
|
3QPV
 | | PFKFB3 trapped in a phospho-enzyme intermediate state | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | Authors: | Cavalier, M.C, Kim, S.G, Neau, D, Lee, Y.H. | | Deposit date: | 2011-02-14 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: Transition state and the C-terminal function.
Proteins, 80, 2012
|
|
3QPW
 | | PFKFB3 in complex with Aluminum Tetrafluoride | | Descriptor: | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Cavalier, M.C, Kim, S.G, Neau, D, Lee, Y.H. | | Deposit date: | 2011-02-14 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: Transition state and the C-terminal function.
Proteins, 80, 2012
|
|
4PE7
 | | Crystal Structure of Calcium-loaded S100B bound to SC1982 | | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
|
|
4PE1
 | | Crystal Structure of Calcium-loaded S100B bound to SC124 | | Descriptor: | CALCIUM ION, DIETHYLCARBAMODITHIOIC ACID, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.576 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
|
|
4PE0
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4434 | | Descriptor: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, P.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
|
|
4PDZ
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4172 | | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
|
|
4PE4
 | | Crystal Structure of Calcium-loaded S100B bound to SC1475 | | Descriptor: | 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.178 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
|
|
5DKN
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4225 | | Descriptor: | 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole), CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.528 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
|
|
5ER5
 | | Crystal Structure of Calcium-loaded S100B bound to SC1990 | | Descriptor: | CALCIUM ION, ETHIDIUM, Protein S100-B | | Authors: | Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J. | | Deposit date: | 2015-11-13 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
5DKR
 | | Crystal Structure of Calcium-loaded S100B bound to SBi29 | | Descriptor: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.742 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
|
|
5ER4
 | | Crystal Structure of Calcium-loaded S100B bound to SC0025 | | Descriptor: | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J. | | Deposit date: | 2015-11-13 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.813 Å) | | Cite: | Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
5DKQ
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4214 | | Descriptor: | 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
|
|
3VDN
 | | Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, VldE | | Authors: | Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Mahmud, T, Lee, Y.-H. | | Deposit date: | 2012-01-05 | | Release date: | 2013-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of the VldE, the pseudo-glycosyltransferase, which catalyzes non-glycosidic C-N coupling in Validamycin A biosynthesis
To be Published
|
|
3VDM
 | | Crystal Structure of VldE, the pseudo-glycosyltransferase which catalyzes non-glycosidic C-N coupling in Validamycin A biosynthesis | | Descriptor: | VldE | | Authors: | Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Mahmud, T, Lee, Y.-H. | | Deposit date: | 2012-01-05 | | Release date: | 2013-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of VldE, the pseudo-glycosyltransferase which catalyzes non-glycosidic C-N coupling in Validamycin A biosynthesis
To be Published
|
|
4F97
 | | Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP and validoxylamine A 7'-phosphate | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Almabruk, K.H, Mahmud, T, Lee, Y.-H. | | Deposit date: | 2012-05-18 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.108 Å) | | Cite: | Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex.
Plos One, 7, 2012
|
|
4F9F
 | | Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP and Trehalose | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, VldE, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Almabruk, K.H, Mahmud, T, Lee, Y.-H. | | Deposit date: | 2012-05-18 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.807 Å) | | Cite: | Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex.
Plos One, 7, 2012
|
|
4F96
 | | Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, VldE | | Authors: | Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Almabruk, K.H, Mahmud, T, Lee, Y.-H. | | Deposit date: | 2012-05-18 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.152 Å) | | Cite: | Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex.
Plos One, 7, 2012
|
|
5K8Q
 | | Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide. | | Descriptor: | CALCIUM ION, Calmodulin, IMIDAZOLE, ... | | Authors: | Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J. | | Deposit date: | 2016-05-30 | | Release date: | 2016-08-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.739 Å) | | Cite: | Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016
|
|
