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1B4C
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BU of 1b4c by Molmil
SOLUTION STRUCTURE OF RAT APO-S100B USING DIPOLAR COUPLINGS
Descriptor: PROTEIN (S-100 PROTEIN, BETA CHAIN)
Authors:Weber, D.J, Drohat, A.C, Tjandra, N, Baldisseri, D.M.
Deposit date:1998-12-17
Release date:1998-12-30
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The use of dipolar couplings for determining the solution structure of rat apo-S100B(betabeta).
Protein Sci., 8, 1999
1C49
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BU of 1c49 by Molmil
STRUCTURAL AND FUNCTIONAL DIFFERENCES OF TWO TOXINS FROM THE SCORPION PANDINUS IMPERATOR
Descriptor: TOXIN K-BETA
Authors:Klenk, K.C, Tenenholz, T.C, Matteson, D.R, Rogowski, R.S, Blaustein, M.P, Weber, D.J.
Deposit date:1999-08-17
Release date:2000-03-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural and functional differences of two toxins from the scorpion Pandinus imperator.
Proteins, 38, 2000
5K89
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BU of 5k89 by Molmil
Crystal Structure of Human Calcium-Bound S100A1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Protein S100-A1
Authors:Melville, Z, Aligholizadeh, E, McKnight, L.E, Weber, D, Pozharski, E, Weber, D.J.
Deposit date:2016-05-27
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:X-ray crystal structure of human calcium-bound S100A1.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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
1MWN
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BU of 1mwn by Molmil
Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12
Descriptor: CALCIUM ION, F-actin capping protein alpha-1 subunit, S-100 protein, ...
Authors:Inman, K.G, Yang, R, Rustandi, R.R, Miller, K.E, Baldisseri, D.M, Weber, D.J.
Deposit date:2002-09-30
Release date:2002-12-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12
J.Mol.Biol., 324, 2002
1SYM
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BU of 1sym by Molmil
3-D SOLUTION STRUCTURE OF REDUCED APO-S100B FROM RAT, NMR, 20 STRUCTURES
Descriptor: S100B
Authors:Drohat, A.C, Weber, D.J.
Deposit date:1996-05-29
Release date:1996-12-07
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of rat apo-S100B(beta beta) as determined by NMR spectroscopy.
Biochemistry, 35, 1996
5TBX
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BU of 5tbx by Molmil
hnRNP A18 RNA Recognition Motif
Descriptor: ACETATE ION, Cold-inducible RNA-binding protein, NICKEL (II) ION
Authors:Coburn, K.M, Melville, Z, Aligholizadeh, E, Roth, B.M, Varney, K.M, Weber, D.J.
Deposit date:2016-09-13
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Crystal structure of the human heterogeneous ribonucleoprotein A18 RNA-recognition motif.
Acta Crystallogr F Struct Biol Commun, 73, 2017
1QLK
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BU of 1qlk by Molmil
SOLUTION STRUCTURE OF CA(2+)-LOADED RAT S100B (BETABETA) NMR, 20 STRUCTURES
Descriptor: CALCIUM ION, S-100 PROTEIN
Authors:Drohat, A.C, Baldisseri, D.M, Rustandi, R.R, Weber, D.J.
Deposit date:1997-09-26
Release date:1998-11-11
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of calcium-bound rat S100B(betabeta) as determined by nuclear magnetic resonance spectroscopy,.
Biochemistry, 37, 1998
1MUT
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BU of 1mut by Molmil
NMR STUDY OF MUTT ENZYME, A NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE
Descriptor: NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE
Authors:Abeygunawardana, C, Weber, D.J, Gittis, A.G, Frick, D.N, Lin, J, Miller, A.-F, Bessman, M.J, Mildvan, A.S.
Deposit date:1995-09-14
Release date:1996-04-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the MutT enzyme, a nucleoside triphosphate pyrophosphohydrolase.
Biochemistry, 34, 1995
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
2PTA
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BU of 2pta by Molmil
PANDINUS TOXIN K-A (PITX-KA) FROM PANDINUS IMPERATOR, NMR, 20 STRUCTURES
Descriptor: PANDINUS TOXIN K-ALPHA
Authors:Tenenholz, T.C, Rogowski, R.S, Collins, J.H, Blaustein, M.P, Weber, D.J.
Deposit date:1996-11-26
Release date:1997-12-10
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure for Pandinus toxin K-alpha (PiTX-K alpha), a selective blocker of A-type potassium channels.
Biochemistry, 36, 1997
1XYD
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BU of 1xyd by Molmil
NMR Solution Structure of Rat Zinc-Calcium-S100B, 20 Structures
Descriptor: CALCIUM ION, S-100 protein, beta chain, ...
Authors:Wilder, P.T, Varney, K.M, Weber, D.J.
Deposit date:2004-11-09
Release date:2005-06-07
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution Structure of Zinc- and Calcium-Bound Rat S100B as Determined by Nuclear Magnetic Resonance Spectroscopy
Biochemistry, 44, 2005
1ZFS
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BU of 1zfs by Molmil
Solution structure of S100A1 bound to calcium
Descriptor: CALCIUM ION, S-100 protein, alpha chain
Authors:Wright, N.T, Varney, K.M, Weber, D.J.
Deposit date:2005-04-20
Release date:2006-04-11
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The three-dimensional solution structure of Ca(2+)-bound S100A1 as determined by NMR spectroscopy
J.Mol.Biol., 353, 2006
1ZRI
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BU of 1zri by Molmil
NOE-based solution structure with dipolar coupling restraints of rat OMP (olfactory marker protein)
Descriptor: Olfactory marker protein
Authors:Wright, N.T, Margolis, J.W, Margolis, F.M, Weber, D.J.
Deposit date:2005-05-19
Release date:2006-05-02
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:LRefinement of the Solution Structure of Rat Olfactory Marker Protein (OMP)
J.BIOMOL.NMR, 33, 2005
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
3GK2
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BU of 3gk2 by Molmil
X-ray structure of bovine SBi279,Ca(2+)-S100B
Descriptor: (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide, CACODYLATE ION, CALCIUM ION, ...
Authors:Charpentier, T.H, Weber, D.J, Toth, E.A.
Deposit date:2009-03-09
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
3GK4
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BU of 3gk4 by Molmil
X-ray structure of bovine SBi523,Ca(2+)-S100B
Descriptor: CALCIUM ION, Protein S100-B, ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
Authors:Charpentier, T.H, Weber, D.J, Toth, E.A.
Deposit date:2009-03-09
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009

 

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