5QCI
 
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, GLYCEROL, N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine, ... | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.179 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
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1XEU
 | | Crystal Structure of Internalin C from Listeria monocytogenes | | Descriptor: | internalin C | | Authors: | Ooi, A, Hussain, S, Seyedarabi, A, Pickersgill, R.W. | | Deposit date: | 2004-09-13 | | Release date: | 2005-08-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of internalin C from Listeria monocytogenes.
Acta Crystallogr.,Sect.D, 62, 2006
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1CCC
 | | 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 (2 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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1PYJ
 | | Solution Structure of an O6-[4-oxo-4-(3-pyridyl)butyl]guanine adduct in an 11mer DNA duplex | | Descriptor: | 5'-D(*CP*CP*AP*TP*AP*TP*GP*GP*CP*CP*C)-3', 5'-D*GP*GP*GP*CP*CP*AP*TP*AP*TP*GP*G)-3' | | Authors: | Peterson, L.A, Vu, C, Hingerty, B.E, Broyde, S, Cosman, M. | | Deposit date: | 2003-07-09 | | Release date: | 2004-04-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an O6-[4-oxo-4-(3-pyridyl)butyl]guanine adduct in an 11 mer DNA duplex: evidence for formation of a base triplex.
Biochemistry, 42, 2003
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5QCE
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
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4DDC
 | | EVAL processed HEWL, cisplatin DMSO NAG silicone oil | | 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 (1.8 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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1KFS
 | | DNA POLYMERASE I KLENOW FRAGMENT (E.C.2.7.7.7) MUTANT/DNA COMPLEX | | Descriptor: | DNA (5'-D(*GP*CP*TP*TP*AP*CP*G)-3'), MAGNESIUM ION, PROTEIN (DNA POLYMERASE I KLENOW FRAGMENT (E.C.2.7.7.7)), ... | | Authors: | Brautigam, C.A, Steitz, T.A. | | Deposit date: | 1997-08-18 | | Release date: | 1998-02-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural principles for the inhibition of the 3'-5' exonuclease activity of Escherichia coli DNA polymerase I by phosphorothioates.
J.Mol.Biol., 277, 1998
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2BNZ
 | | Structural basis for cooperative binding of Ribbon-Helix-Helix Omega repressor to inverted DNA heptad repeats | | Descriptor: | 5'-D(*CP*TP*AP*AP*TP*CP*AP*CP*TP*TP *GP*TP*GP*AP*TP*TP*CP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*GP *TP*GP*AP*TP*TP*AP*GP*C)-3', ORF OMEGA | | Authors: | Weihofen, W.A, Cicek, A, Pratto, F, Alonso, J.C, Saenger, W. | | Deposit date: | 2005-04-06 | | Release date: | 2006-03-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription.
Nucleic Acids Res., 34, 2006
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4DD7
 | | EVAL processed HEWL, carboplatin DMSO glycerol | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, 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 (1.6 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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2KHM
 | | Structure of the C-terminal non-repetitive domain of the spider dragline silk protein ADF-3 | | Descriptor: | Fibroin-3 | | Authors: | Hagn, F.X, Eisoldt, L, Hardy, J.G, Vendrely, C, Coles, M, Scheibel, T, Kessler, H. | | Deposit date: | 2009-04-09 | | Release date: | 2010-04-14 | | Last modified: | 2020-02-26 | | Method: | SOLUTION NMR | | Cite: | A conserved spider silk domain acts as a molecular switch that controls fibre assembly
Nature, 465, 2010
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2N4M
 | | Base-displaced intercalated structure of the N-(2'deoxyguanosin-8-yl)-3-aminobenzanthrone DNA adduct | | Descriptor: | DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(4E9)P*TP*GP*TP*TP*TP*GP*T)-3') | | Authors: | Politica, D.A, Stone, M.P, Malik, C.K, Basu, A.K. | | Deposit date: | 2015-06-23 | | Release date: | 2016-07-06 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Base-Displaced Intercalated Structure of the N-(2'-Deoxyguanosin-8-yl)-3-aminobenzanthrone DNA Adduct.
Chem.Res.Toxicol., 28, 2015
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3SEO
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2N2E
 | | NMR solution structure of the C-terminal domain of NisI, a lipoprotein from Lactococcus lactis which confers immunity against nisin | | Descriptor: | Nisin immunity protein | | Authors: | Hacker, C, Christ, N.A, Korn, S, Duchardt-Ferner, E, Hellmich, U.A, Duesterhus, S, Koetter, P, Entian, K, Woehnert, J. | | Deposit date: | 2015-05-08 | | Release date: | 2015-10-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Solution Structure of the Lantibiotic Immunity Protein NisI and Its Interactions with Nisin.
J.Biol.Chem., 290, 2015
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4D2R
 | | Human IGF in complex with a Dyrk1B inhibitor | | Descriptor: | CHLORIDE ION, INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR, N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | | Authors: | Debreczeni, J.E, Kettle, J.G, Ballard, P, Bardelle, C, Butterworth, S, Colclough, N, Critchlow, S.E, Fairley, G, Fillery, S, Graham, M.A, Goodwin, L, Guichard, S, Hudson, K, Mahmood, A, Vincent, J, Ward, R.A, Whittaker, D. | | Deposit date: | 2014-05-12 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Optimization of a Novel Series of Dyrk1B Kinase Inhibitors to Explore a Mek Resistance Hypothesis.
J.Med.Chem., 58, 2015
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5OCY
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1CCB
 | | 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 (2.1 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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3RN1
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3RMZ
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5QCF
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, GLYCEROL, N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine, ... | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
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1KRP
 | | DNA polymerase I Klenow fragment (E.C.2.7.7.7) mutant/DNA complex | | Descriptor: | DNA (5'-D(P*TP*TP*PST)-3'), PROTEIN (DNA POLYMERASE I KLENOW FRAGMENT (E.C.2.7.7.7)), ZINC ION | | Authors: | Brautigam, C.A, Steitz, T.A. | | Deposit date: | 1997-08-19 | | Release date: | 1998-02-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural principles for the inhibition of the 3'-5' exonuclease activity of Escherichia coli DNA polymerase I by phosphorothioates.
J.Mol.Biol., 277, 1998
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1KSP
 | | DNA polymerase I Klenow fragment (E.C.2.7.7.7) mutant/DNA complex | | Descriptor: | DNA (5'-D(P*TP*TP*PST)-3'), PROTEIN (DNA POLYMERASE I-KLENOW FRAGMENT (E.C.2.7.7.7)), ZINC ION | | Authors: | Brautigam, C.A, Steitz, T.A. | | Deposit date: | 1997-08-19 | | Release date: | 1998-02-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural principles for the inhibition of the 3'-5' exonuclease activity of Escherichia coli DNA polymerase I by phosphorothioates.
J.Mol.Biol., 277, 1998
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5QC4
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | 2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone, Cathepsin S | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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5QBU
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | 1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one, Cathepsin S | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
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5QC5
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine, Cathepsin S | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
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4DD3
 | | EVAL processed HEWL, carboplatin aqueous paratone | | Descriptor: | 2-methylprop-1-ene, CHLORIDE ION, 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 (1.7 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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