1Q57
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![BU of 1q57 by Molmil](/molmil-images/mine/1q57) | The Crystal Structure of the Bifunctional Primase-Helicase of Bacteriophage T7 | Descriptor: | DNA primase/helicase | Authors: | Toth, E.A, Li, Y, Sawaya, M.R, Cheng, Y, Ellenberger, T. | Deposit date: | 2003-08-06 | Release date: | 2003-11-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | The Crystal Structure of the Bifunctional Primase-Helicase of Bacteriophage T7 Mol.Cell, 12, 2003
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1F1O
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![BU of 1f1o by Molmil](/molmil-images/mine/1f1o) | STRUCTURAL STUDIES OF ADENYLOSUCCINATE LYASES | Descriptor: | ADENYLOSUCCINATE LYASE | Authors: | Toth, E.A, Yeates, T. | Deposit date: | 2000-05-19 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The crystal structure of adenylosuccinate lyase from Pyrobaculum aerophilum reveals an intracellular protein with three disulfide bonds. J.Mol.Biol., 301, 2000
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6UAI
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![BU of 6uai by Molmil](/molmil-images/mine/6uai) | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | Deposit date: | 2019-09-10 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
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6UAO
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![BU of 6uao by Molmil](/molmil-images/mine/6uao) | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
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6UBE
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![BU of 6ube by Molmil](/molmil-images/mine/6ube) | Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL | Descriptor: | AZIDE ION, GLYCEROL, Peptide LFRAL, ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
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6U9L
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![BU of 6u9l by Molmil](/molmil-images/mine/6u9l) | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM | Descriptor: | GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | Deposit date: | 2019-09-09 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
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3N5N
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![BU of 3n5n by Molmil](/molmil-images/mine/3n5n) | |
1C3C
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![BU of 1c3c by Molmil](/molmil-images/mine/1c3c) | T. MARITIMA ADENYLOSUCCINATE LYASE | Descriptor: | PROTEIN (ADENYLOSUCCINATE LYASE) | Authors: | Toth, E.A, Yeates, T.O. | Deposit date: | 1999-07-27 | Release date: | 2000-02-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of adenylosuccinate lyase, an enzyme with dual activity in the de novo purine biosynthetic pathway. Structure Fold.Des., 8, 2000
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1C3U
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![BU of 1c3u by Molmil](/molmil-images/mine/1c3u) | T. MARITIMA ADENYLOSUCCINATE LYASE | Descriptor: | ADENYLOSUCCINATE LYASE, SULFATE ION | Authors: | Toth, E.A, Yeates, T.O. | Deposit date: | 1999-07-28 | Release date: | 2000-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of adenylosuccinate lyase, an enzyme with dual activity in the de novo purine biosynthetic pathway. Structure Fold.Des., 8, 2000
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1DOF
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![BU of 1dof by Molmil](/molmil-images/mine/1dof) | THE CRYSTAL STRUCTURE OF ADENYLOSUCCINATE LYASE FROM PYROBACULUM AEROPHILUM: INSIGHTS INTO THERMAL STABILITY AND HUMAN PATHOLOGY | Descriptor: | ADENYLOSUCCINATE LYASE | Authors: | Toth, E.A, Yeates, T.O, Goedken, E, Dixon, J.E, Marqusee, S. | Deposit date: | 1999-12-20 | Release date: | 2001-01-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of adenylosuccinate lyase from Pyrobaculum aerophilum reveals an intracellular protein with three disulfide bonds. J.Mol.Biol., 301, 2000
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5EA2
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![BU of 5ea2 by Molmil](/molmil-images/mine/5ea2) | Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | Deposit date: | 2015-10-15 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone. Bmc Struct.Biol., 16, 2016
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5EAI
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![BU of 5eai by Molmil](/molmil-images/mine/5eai) | Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a | Descriptor: | (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | Deposit date: | 2015-10-16 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone. Bmc Struct.Biol., 16, 2016
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4PE0
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![BU of 4pe0 by Molmil](/molmil-images/mine/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
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4PDZ
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![BU of 4pdz by Molmil](/molmil-images/mine/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
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4PE4
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![BU of 4pe4 by Molmil](/molmil-images/mine/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: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.178 Å) | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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3GK1
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![BU of 3gk1 by Molmil](/molmil-images/mine/3gk1) | X-ray structure of bovine SBi132,Ca(2+)-S100B | Descriptor: | 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide, 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 (2.1 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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3GK2
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![BU of 3gk2 by Molmil](/molmil-images/mine/3gk2) | 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
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3GK4
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![BU of 3gk4 by Molmil](/molmil-images/mine/3gk4) | 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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5DKR
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![BU of 5dkr by Molmil](/molmil-images/mine/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
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5DKQ
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![BU of 5dkq by Molmil](/molmil-images/mine/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
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5DKN
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![BU of 5dkn by Molmil](/molmil-images/mine/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
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5TK5
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![BU of 5tk5 by Molmil](/molmil-images/mine/5tk5) | Crystal structure of human 3HAO with iron bound in the active site | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION, SULFATE ION | Authors: | Pidugu, L.S, Toth, E.A. | Deposit date: | 2016-10-06 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site. Acta Crystallogr D Struct Biol, 73, 2017
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5TKQ
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![BU of 5tkq by Molmil](/molmil-images/mine/5tkq) | Crystal structure of human 3HAO with zinc bound in the active site | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, SULFATE ION, ZINC ION | Authors: | Pidugu, L.S, Toth, E.A. | Deposit date: | 2016-10-07 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site. Acta Crystallogr D Struct Biol, 73, 2017
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3IQQ
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![BU of 3iqq by Molmil](/molmil-images/mine/3iqq) | X-ray structure of bovine TRTK12-Ca(2+)-S100B | Descriptor: | CALCIUM ION, Protein S100-B, TRTK12 peptide, ... | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | Deposit date: | 2009-08-20 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca(2+) as Examined by NMR and X-ray Crystallography J.Mol.Biol., 396, 2010
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3IQO
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![BU of 3iqo by Molmil](/molmil-images/mine/3iqo) | |