5QI6
 
 | | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000597a | | Descriptor: | 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QI5
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000633a | | Descriptor: | 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QI1
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000474a | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QHX
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000278a | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QI9
 | | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000711a | | Descriptor: | (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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1PP8
 | | crystal structure of the T. vaginalis IBP39 Initiator binding domain (IBD) bound to the alpha-SCS Inr element | | Descriptor: | 39 kDa initiator binding protein, ALPHA-SCS INR, SULFATE ION | | Authors: | Schumacher, M.A, Lau, A.O.T, Johnson, P.J. | | Deposit date: | 2003-06-16 | | Release date: | 2003-11-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural Basis of Core Promoter Recognition in a Primitive Eukaryote
Cell(Cambridge,Mass.), 115, 2003
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5QHT
 | | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000065a | | Descriptor: | 2-methoxy-4-morpholin-4-yl-aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QI8
 | | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000605a | | Descriptor: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QI2
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000110a | | Descriptor: | 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QIA
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000242a | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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1BD4
 | | UPRT-URACIL COMPLEX | | Descriptor: | PHOSPHATE ION, URACIL, URACIL PHOSPHORIBOSYLTRANSFERASE | | Authors: | Schumacher, M.A, Carter, D, Scott, D, Roos, D, Ullman, B, Brennan, R.G. | | Deposit date: | 1998-05-12 | | Release date: | 1999-05-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of Toxoplasma gondii uracil phosphoribosyltransferase reveal the atomic basis of pyrimidine discrimination and prodrug binding.
EMBO J., 17, 1998
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4R4E
 | | Structure of GlnR-DNA complex | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, DNA (5'-D(*AP*TP*TP*CP*TP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*AP*GP*TP*A)-3'), ... | | Authors: | Schumacher, M.A. | | Deposit date: | 2014-08-19 | | Release date: | 2015-03-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis.
Genes Dev., 29, 2015
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2NZU
 | | Structural mechanism for the fine-tuning of CcpA function by the small molecule effectors G6P and FBP | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, Catabolite control protein, Phosphocarrier protein HPr, ... | | Authors: | Schumacher, M.A, Hillen, W, Brennan, R.G. | | Deposit date: | 2006-11-25 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Mechanism for the Fine-tuning of CcpA Function by The Small Molecule Effectors Glucose 6-Phosphate and Fructose 1,6-Bisphosphate.
J.Mol.Biol., 368, 2007
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1PP7
 | | Crystal structure of the T. vaginalis Initiator binding protein bound to the ferredoxin Inr | | Descriptor: | 39 kDa initiator binding protein, FERREDOXIN INR, ZINC ION | | Authors: | Schumacher, M.A, Lau, A.O.T, Johnson, P.J. | | Deposit date: | 2003-06-16 | | Release date: | 2003-11-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Basis of Core Promoter Recognition in a Primitive Eukaryote
Cell(Cambridge,Mass.), 115, 2003
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1BD3
 | | STRUCTURE OF THE APO URACIL PHOSPHORIBOSYLTRANSFERASE, 2 MUTANT C128V | | Descriptor: | PHOSPHATE ION, URACIL PHOSPHORIBOSYLTRANSFERASE | | Authors: | Schumacher, M.A, Carter, D, Scott, D, Roos, D, Ullman, B, Brennan, R.G. | | Deposit date: | 1998-05-12 | | Release date: | 1999-05-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structures of Toxoplasma gondii uracil phosphoribosyltransferase reveal the atomic basis of pyrimidine discrimination and prodrug binding.
EMBO J., 17, 1998
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4GCT
 | | structure of No factor protein-DNA complex | | Descriptor: | DNA (5'-D(*TP*TP*AP*CP*GP*TP*GP*AP*GP*TP*AP*CP*TP*CP*AP*CP*GP*TP*AP*A)-3'), Nucleoid occlusion factor SlmA | | Authors: | Schumacher, M.A. | | Deposit date: | 2012-07-30 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | SlmA forms a higher-order structure on DNA that inhibits cytokinetic Z-ring formation over the nucleoid.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5TZF
 | | Structure of the BldD CTD(D116A)-(c-di-GMP)2 intermediate, form 1 | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DNA-binding protein | | Authors: | Schumacher, M.A. | | Deposit date: | 2016-11-21 | | Release date: | 2017-04-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Streptomyces master regulator BldD binds c-di-GMP sequentially to create a functional BldD2-(c-di-GMP)4 complex.
Nucleic Acids Res., 45, 2017
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1PNR
 | | PURINE REPRESSOR-HYPOXANTHINE-PURF-OPERATOR COMPLEX | | Descriptor: | DNA (5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*CP*GP*TP*TP*TP*TP*CP*GP*T )-3'), HYPOXANTHINE, PROTEIN (PURINE REPRESSOR) | | Authors: | Schumacher, M.A, Choi, K.Y, Zalkin, H, Brennan, R.G. | | Deposit date: | 1995-03-29 | | Release date: | 1995-11-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of LacI member, PurR, bound to DNA: minor groove binding by alpha helices.
Science, 266, 1994
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4GFK
 | | structures of NO factors | | Descriptor: | Nucleoid occlusion factor SlmA | | Authors: | Schumacher, M.A. | | Deposit date: | 2012-08-03 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | SlmA forms a higher-order structure on DNA that inhibits cytokinetic Z-ring formation over the nucleoid.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4FE4
 | | Crystal structure of apo E. coli XylR | | Descriptor: | Xylose operon regulatory protein | | Authors: | Schumacher, M.A, Ni, L. | | Deposit date: | 2012-05-29 | | Release date: | 2012-12-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Structures of the Escherichia coli transcription activator and regulator of diauxie, XylR: an AraC DNA-binding family member with a LacI/GalR ligand-binding domain.
Nucleic Acids Res., 41, 2013
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3JS6
 | | Crystal structure of apo psk41 parM protein | | Descriptor: | Uncharacterized ParM protein | | Authors: | Schumacher, M.A, Xu, W, Firth, N. | | Deposit date: | 2009-09-09 | | Release date: | 2010-01-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and filament dynamics of the pSK41 actin-like ParM protein: implications for plasmid DNA segregation.
J.Biol.Chem., 285, 2010
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1ZVV
 | | Crystal structure of a ccpa-crh-dna complex | | Descriptor: | DNA recognition strand CRE, Glucose-resistance amylase regulator, HPr-like protein crh, ... | | Authors: | Schumacher, M.A, Brennan, R.G, Hillen, W, Seidel, G. | | Deposit date: | 2005-06-02 | | Release date: | 2006-02-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Phosphoprotein Crh-Ser46-P displays altered binding to CcpA to effect carbon catabolite regulation.
J.Biol.Chem., 281, 2006
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2G66
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2GIA
 | | Crystal structures of trypanosoma bruciei MRP1/MRP2 | | Descriptor: | ACETIC ACID, mitochondrial RNA-binding protein 1, mitochondrial RNA-binding protein 2 | | Authors: | Schumacher, M.A, Karamooz, E, Zikova, A, Trantirek, L, Lukes, J. | | Deposit date: | 2006-03-28 | | Release date: | 2006-09-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal Structures of T. brucei MRP1/MRP2 Guide-RNA Binding Complex Reveal RNA Matchmaking Mechanism.
Cell(Cambridge,Mass.), 126, 2006
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3Q5X
 | | Structure of proteasome tether | | Descriptor: | Protein cut8 | | Authors: | Schumacher, M.A. | | Deposit date: | 2010-12-30 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structure of Proteasome Tether
To be Published
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