1CCA
 
 | | THE ASP-HIS-FE TRIAD OF CYTOCHROME C PEROXIDASE CONTROLS THE REDUCTION POTENTIAL, ELECTRONIC STRUCTURE, AND COUPLING OF THE TRYPTOPHAN FREE-RADICAL TO THE HEME | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Goodin, D.B, Mcree, D.E. | | Deposit date: | 1993-01-04 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Asp-His-Fe triad of cytochrome c peroxidase controls the reduction potential, electronic structure, and coupling of the tryptophan free radical to the heme.
Biochemistry, 32, 1993
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1JR6
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4M3V
 | | X-ray crystal structure of the ruthenium complex [Ru(Tap)2(dppz-{Me2})]2+ bound to d(TCGGTACCGA) | | Descriptor: | (11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, DNA decamer sequence | | Authors: | Niyazi, H, Teixeira, S, Mitchell, E, Forsyth, T, Cardin, C. | | Deposit date: | 2013-08-06 | | Release date: | 2014-09-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-ray crystal structure of the ruthenium complex [Ru(Tap)2(dppz-{Me2})]2+ bound to d(TCGGTACCGA)
To be Published
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4DDB
 | | EVAL processed HEWL, cisplatin DMSO paratone pH 6.5 | | Descriptor: | Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C | | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | | Deposit date: | 2012-01-18 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
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3PPK
 | | Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | | Descriptor: | 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | Deposit date: | 2010-11-24 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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4MJ9
 | | lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer | | Descriptor: | (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, CHLORIDE ION, ... | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2013-09-03 | | Release date: | 2014-09-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru dppz Complexes to DNA
Organometallics, 2015
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3SWB
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2PTK
 | | CHICKEN SRC TYROSINE KINASE | | Descriptor: | TYROSINE-PROTEIN KINASE TRANSFORMING PROTEIN SRC | | Authors: | Williams, J.C, Wierenga, R. | | Deposit date: | 1997-06-17 | | Release date: | 1997-12-24 | | Last modified: | 2018-04-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The 2.35 A crystal structure of the inactivated form of chicken Src: a dynamic molecule with multiple regulatory interactions
J.Mol.Biol., 274, 1997
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3SWS
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4F6N
 | | Crystal structure of Kaiso zinc finger DNA binding protein in complex with methylated CpG site DNA | | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*TP*AP*GP*AP*(5CM)P*GP*(5CM)P*GP*GP*TP*GP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*CP*AP*CP*(5CM)P*GP*(5CM)P*GP*TP*CP*TP*AP*TP*AP*CP*G)-3'), GLYCEROL, ... | | Authors: | Buck-Koehntop, B.A, Stanfield, R.L, Ekiert, D.C, Martinez-Yamout, M.A, Dyson, H.J, Wilson, I.A, Wright, P.E. | | Deposit date: | 2012-05-15 | | Release date: | 2012-09-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4KSP
 | | Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632 | | Descriptor: | N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Yano, J.K, Masanori, O. | | Deposit date: | 2013-05-17 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
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3TZR
 | | Structure of a Riboswitch-like RNA-ligand complex from the Hepatitis C Virus Internal Ribosome Entry Site | | Descriptor: | (8R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine, 5'-R(*CP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*CP*C)-3', 5'-R(*GP*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*UP*CP*GP*G)-3', ... | | Authors: | Dibrov, S.M, Ding, K, Brunn, N, Parker, M.A, Bergdahl, B.M, Wyles, D.L, Hermann, T. | | Deposit date: | 2011-09-27 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.212 Å) | | Cite: | Structure of a Riboswitch in the Hepatitis C Virus Internal Ribosome Entry Site
To be Published
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2Q5X
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2FF6
 | | Crystal structure of Gelsolin domain 1:ciboulot domain 2 hybrid in complex with actin | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Aguda, A.H, Xue, B, Robinson, R.C. | | Deposit date: | 2005-12-19 | | Release date: | 2006-03-21 | | Last modified: | 2018-05-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Structural Basis of Actin Interaction with Multiple WH2/beta-Thymosin Motif-Containing Proteins
Structure, 14, 2006
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3GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX | | Descriptor: | 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | | Deposit date: | 1997-02-12 | | Release date: | 1997-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
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3Q4C
 | | Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292 | | Descriptor: | Serine/threonine-protein kinase B-raf, [(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) | | Authors: | Xie, P, Streu, C, Qin, J, Pregman, H, Pagano, N, Meggers, E, Marmorstein, R. | | Deposit date: | 2010-12-23 | | Release date: | 2011-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The crystal structure of BRAF in complex with an organoruthenium inhibitor reveals a mechanism for inhibition of an active form of BRAF kinase.
Biochemistry, 48, 2009
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1ZJF
 | | 12mer-spd-P4N | | Descriptor: | 5'-D(*AP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*T)-3', 5'-D(*TP*AP*GP*CP*CP*CP*CP*GP*CP*CP*CP*C)-3' | | Authors: | Dohm, J.A, Hsu, M.H, Hwu, J.R, Huang, R.C, Moudrianakis, E.N, Lattman, E.E, Gittis, A.G. | | Deposit date: | 2005-04-28 | | Release date: | 2005-05-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site.
J.Mol.Biol., 349, 2005
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1MAI
 | | STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM PHOSPHOLIPASE C DELTA IN COMPLEX WITH INOSITOL TRISPHOSPHATE | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, PHOSPHOLIPASE C DELTA-1 | | Authors: | Ferguson, K.M, Lemmon, M.A, Schlessinger, J, Sigler, P.B. | | Deposit date: | 1996-05-23 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the high affinity complex of inositol trisphosphate with a phospholipase C pleckstrin homology domain.
Cell(Cambridge,Mass.), 83, 1995
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2K1Q
 | | NMR structure of hepatitis c virus ns3 serine protease complexed with the non-covalently bound phenethylamide inhibitor | | Descriptor: | NS3 PROTEASE, PHENETHYLAMIDE, ZINC ION | | Authors: | Eliseo, T, Gallo, M, Pennestri, M, Bazzo, R, Cicero, D.O. | | Deposit date: | 2008-03-13 | | Release date: | 2009-02-03 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Binding of a noncovalent inhibitor exploiting the S' region stabilizes the hepatitis C virus NS3 protease conformation in the absence of cofactor.
J.Mol.Biol., 385, 2009
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4C0J
 | | Crystal structure of Drosophila Miro EF hand and cGTPase domains in the apo state (Apo-MiroS) | | Descriptor: | L-HOMOSERINE, MITOCHONDRIAL RHO GTPASE, SODIUM ION, ... | | Authors: | Klosowiak, J.L, Focia, P.J, Wawrzak, Z, Chakravarthy, S, Landahl, E.C, Freymann, D.M, Rice, S.E. | | Deposit date: | 2013-08-05 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural Coupling of the EF Hand and C-Terminal Gtpase Domains in the Mitochondrial Protein Miro.
Embo Rep., 14, 2013
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1SJG
 | | Solution Structure of T4moC, the Rieske Ferredoxin Component of the Toluene 4-Monooxygenase Complex | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Toluene-4-monooxygenase system protein C | | Authors: | Skjeldal, L, Peterson, F.C, Doreleijers, J.F, Moe, L.A, Pikus, J.D, Volkman, B.F, Westler, W.M, Markley, J.L, Fox, B.G. | | Deposit date: | 2004-03-03 | | Release date: | 2004-09-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of T4moC, the Rieske ferredoxin component of the toluene 4-monooxygenase complex
J.Biol.Inorg.Chem., 9, 2004
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4C0K
 | | Crystal structure of Drosophila Miro EF hand and cGTPase domains bound to one calcium ion (Ca-MiroS) | | Descriptor: | CALCIUM ION, L-HOMOSERINE, MITOCHONDRIAL RHO GTPASE, ... | | Authors: | Klosowiak, J.L, Focia, P.J, Wawrzak, Z, Chakravarthy, S, Landahl, E.C, Freymann, D.M, Rice, S.E. | | Deposit date: | 2013-08-05 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural Coupling of the EF Hand and C-Terminal Gtpase Domains in the Mitochondrial Protein Miro.
Embo Rep., 14, 2013
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4C0L
 | | Crystal structure of Drosophila Miro EF hand and cGTPase domains bound to one magnesium ion and Mg:GDP (MgGDP-MiroS) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, L-HOMOSERINE, MAGNESIUM ION, ... | | Authors: | Klosowiak, J.L, Focia, P.J, Wawrzak, Z, Chakravarthy, S, Landahl, E.C, Freymann, D.M, Rice, S.E. | | Deposit date: | 2013-08-05 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Coupling of the EF Hand and C-Terminal Gtpase Domains in the Mitochondrial Protein Miro.
Embo Rep., 14, 2013
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1E39
 | | Flavocytochrome C3 from Shewanella frigidimarina histidine 365 mutated to alanine | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT, FUMARIC ACID, ... | | Authors: | Doherty, M.K, Pealing, S.L, Miles, C.S, Moysey, R, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2000-06-07 | | Release date: | 2000-09-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of the Active Site Acid/Base Catalyst in a Bacterial Fumarate Reductase: A Kinetic and Crystallographic Study
Biochemistry, 39, 2000
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3UGD
 | | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ... | | Authors: | Shanmugasundararaj, S, Stehle, T, Miller, K.W. | | Deposit date: | 2011-11-02 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
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