5HSS
| Linalool dehydratase/isomerase: Ldi with monoterpene substrate | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Beta-Myrcene, Geraniol, ... | Authors: | Weidenweber, S, Marmulla, R, Harder, J, Ermler, U. | Deposit date: | 2016-01-26 | Release date: | 2016-04-27 | Last modified: | 2016-05-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structure of linalool dehydratase/isomerase from Castellaniella defragrans reveals enzymatic alkene synthesis. Febs Lett., 590, 2016
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5G5S
| Structure of the Argonaute protein from Methanocaldcoccus janaschii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGONAUTE, MAGNESIUM ION | Authors: | Schneider, S, Oellig, C.A, Keegan, R, Grohmann, D, Zander, A, Willkomm, S. | Deposit date: | 2016-06-03 | Release date: | 2017-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural and mechanistic insights into an archaeal DNA-guided Argonaute protein. Nat Microbiol, 2, 2017
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5HLR
| Linalool dehydratase/isomerase: Ldi-apo | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Linalool dehydratase/isomerase | Authors: | Weidenweber, S, Marmulla, R, Harder, J, Ermler, U. | Deposit date: | 2016-01-15 | Release date: | 2016-04-27 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (1.911 Å) | Cite: | X-ray structure of linalool dehydratase/isomerase from Castellaniella defragrans reveals enzymatic alkene synthesis. Febs Lett., 590, 2016
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5LBT
| Structure of the human quinone reductase 2 (NQO2) in complex with imiquimod | Descriptor: | 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Schneider, S, Gross, O. | Deposit date: | 2016-06-17 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7 To Be Published
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5LBU
| Structure of the human quinone reductase 2 (NQO2) in complex with to CL097 | Descriptor: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Schneider, S, Gross, O. | Deposit date: | 2016-06-17 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7 To Be Published
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2XGP
| Yeast DNA polymerase eta in complex with C8-2-acetylaminofluorene containing DNA | Descriptor: | 5'-D(*CP*8FG*CP*TP*CP*AP*TP*CP*CP*AP*C)-3', 5'-D(*GP*TP*GP*GP*AP*TP*GP*AP*G)-3', CALCIUM ION, ... | Authors: | Scheider, S, Lammens, K, Schorr, S, Hopfner, K.P, Carell, T. | Deposit date: | 2010-06-07 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism of Replication Blocking and Bypass of Y-Family Polymerase Eta by Bulky Acetylaminofluorene DNA Adducts. Proc.Natl.Acad.Sci.USA, 107, 2010
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2XGQ
| Structure of yeast DNA polymerase eta in complex with C8-N-acetyl-2- aminoanthracene containing DNA | Descriptor: | 5'-D(*CP*8AG*CP*TP*CP*AP*TP*CP*CP*AP*C)-3', 5'-D(*GP*TP*GP*GP*AP*TP*GP*AP*G)-3', CALCIUM ION, ... | Authors: | Schneider, S, Schorr, S, Carell, T. | Deposit date: | 2010-06-07 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism of Replication Blocking and Bypass of Y-Family Polymerase Eta by Bulky Acetylaminofluorene DNA Adducts. Proc.Natl.Acad.Sci.USA, 107, 2010
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6S8Z
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4BW9
| PylRS Y306G, Y384F, I405R mutant in complex with AMP-PNP | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schneider, S, Vrabel, M, Gattner, M.J, Fluegel, V, Lopez-Carillo, V, Carell, T. | Deposit date: | 2013-07-01 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Insights Into Incorporation of Norbornene Amino Acids for Click Modification of Proteins Chem.Bio.Chem., 14, 2013
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4BWA
| PylRS Y306G, Y384F, I405R mutant in complex with adenylated norbornene | Descriptor: | 1,2-ETHANEDIOL, Adenylated Norbornene, DI(HYDROXYETHYL)ETHER, ... | Authors: | Schneider, S, Vrabel, M, Gattner, M.J, Fluegel, V, Lopez-Carillo, V, Carell, T. | Deposit date: | 2013-07-01 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Insights Into Incorporation of Norbornene Amino Acids for Click Modification of Proteins Chem.Bio.Chem., 14, 2013
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7AYX
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1EEL
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2V79
| Crystal Structure of the N-terminal domain of DnaD from Bacillus Subtilis | Descriptor: | CHLORIDE ION, DNA REPLICATION PROTEIN DNAD, SODIUM ION | Authors: | Schneider, S, Zhang, W, Soultanas, P, Paoli, M. | Deposit date: | 2007-07-27 | Release date: | 2008-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the N-Terminal Oligomerization Domain of Dnad Reveals a Unique Tetramerization Motif and Provides Insights Into Scaffold Formation. J.Mol.Biol., 376, 2008
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2I5A
| Crystal structure of a DB1055-D(CGCGAATTCGCG)2 complex | Descriptor: | 2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Neidle, S, Lee, M.P.H. | Deposit date: | 2006-08-24 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of a DB1055-D(CGCGAATTCGCG)2 complex To be Published
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6QRI
| Structure of rabbit G-actin in complex with chivosazole A | Descriptor: | (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Schneider, S, Wang, S, Zahler, S. | Deposit date: | 2019-02-19 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chivosazole A Modulates Protein-Protein Interactions of Actin. J.Nat.Prod., 82, 2019
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2J0R
| Structure of the haem-chaperone Proteobacteria-protein HemS | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DODECAETHYLENE GLYCOL, ... | Authors: | Schneider, S, Sharp, K.H, Barker, P.D, Paoli, M. | Deposit date: | 2006-08-04 | Release date: | 2006-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Induced Fit Conformational Change Underlies the Binding Mechanism of the Heme Transport Proteobacteria-Protein Hems. J.Biol.Chem., 281, 2006
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2J0P
| Structure of the haem-chaperone Proteobacteria-protein HemS | Descriptor: | DI(HYDROXYETHYL)ETHER, DODECAETHYLENE GLYCOL, HEMIN TRANSPORT PROTEIN HEMS, ... | Authors: | Schneider, S, Sharp, K.H, Barker, P.D, Paoli, M. | Deposit date: | 2006-08-04 | Release date: | 2006-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Induced Fit Conformational Change Underlies the Binding Mechanism of the Heme Transport Proteobacteria-Protein Hems. J.Biol.Chem., 281, 2006
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1EM0
| COMPLEX OF D(CCTAGG) WITH TETRA-[N-METHYL-PYRIDYL] PORPHYRIN | Descriptor: | DNA (5'-D(*(CBR)P*CP*TP*AP*GP*G)-3'), MAGNESIUM ION, TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL | Authors: | Neidle, S, Sanderson, M, Bennett, M, Krah, A, Wien, F, Garman, E, McKenna, R. | Deposit date: | 2000-03-14 | Release date: | 2000-08-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | A DNA-porphyrin minor-groove complex at atomic resolution: the structural consequences of porphyrin ruffling. Proc.Natl.Acad.Sci.USA, 97, 2000
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2KD3
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453D
| 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-BENZIMIDAZOLE COMPLEX | Descriptor: | 4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Neidle, S. | Deposit date: | 1999-02-18 | Release date: | 2000-05-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric bis-benzimidazoles, a new class of sequence-selective DNA-binding molecules J.Chem.Soc.,Chem.Commun., 1999
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4D5R
| Structure of N-terminally truncated A49 from Vaccinia Virus Western Reserve | Descriptor: | A49 | Authors: | Neidel, S, Maluquer de Motes, C, Mansur, D.S, Strnadova, P, Smith, G.L, Graham, S.C. | Deposit date: | 2014-11-07 | Release date: | 2015-01-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Vaccinia Virus Protein A49 is an Unexpected Member of the B-Cell Lymphoma (Bcl)-2 Protein Family J.Biol.Chem., 290, 2015
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4GI2
| Crotonyl-CoA Carboxylase/Reductase | Descriptor: | Crotonyl-CoA carboxylase/reductase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Weidenweber, S, Erb, T.J, Ermler, U. | Deposit date: | 2012-08-08 | Release date: | 2013-08-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crotonyl-CoA Carboxylase/Reductase To be Published
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4CA4
| Crystal structure of FimH lectin domain with the Tyr48Ala mutation, in complex with heptyl alpha-D-mannopyrannoside | Descriptor: | FIMH, heptyl alpha-D-mannopyranoside | Authors: | Rabbani, S, Bouckaert, J, Zalewski, A, Preston, R, Eid, S, Thompson, A, Puorger, C, Glockshuber, R, Ernst, B. | Deposit date: | 2013-10-06 | Release date: | 2014-10-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding. IUCrJ, 4, 2017
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4BUQ
| Crystal structure of wild type FimH lectin domain in complex with heptyl alpha-D-mannopyrannoside | Descriptor: | FIMH, heptyl alpha-D-mannopyranoside | Authors: | Rabbani, S, Bouckaert, J, Zalewski, A, Preston, R, Eid, S, Thompson, A, Puorger, C, Glockshuber, R, Ernst, B. | Deposit date: | 2013-06-23 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh Acs Med.Chem.Lett., 4, 2013
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7T39
| Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | Descriptor: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9 | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-12-07 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor To Be Published
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