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3VDM
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BU of 3vdm by Molmil
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
3VDN
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BU of 3vdn by Molmil
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
3QPU
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BU of 3qpu by Molmil
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
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BU of 3qpv by Molmil
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
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BU of 3qpw by Molmil
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
4F96
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BU of 4f96 by Molmil
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
4F97
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BU of 4f97 by Molmil
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
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BU of 4f9f by Molmil
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
5DKR
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BU of 5dkr by Molmil
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
5DKQ
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BU of 5dkq by Molmil
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
5DKN
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BU of 5dkn by Molmil
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
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BU of 5er5 by Molmil
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
5ER4
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BU of 5er4 by Molmil
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
4PE7
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BU of 4pe7 by Molmil
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
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BU of 4pe1 by Molmil
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:2023-09-27
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
4PE0
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BU of 4pe0 by Molmil
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
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BU of 4pdz by Molmil
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
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BU of 4pe4 by Molmil
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:2023-12-27
Method:X-RAY DIFFRACTION (2.178 Å)
Cite:Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
5K8Q
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BU of 5k8q by Molmil
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:2019-12-25
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016

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PDB entries from 2024-03-27

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