4B9S
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![BU of 4b9s by Molmil](/molmil-images/mine/4b9s) | Structure of the high fidelity DNA polymerase I with an oxidative formamidopyrimidine-dG DNA lesion outside of the pre-insertion site. | Descriptor: | 5'-D(*AP*CP*CP*TP*GP*AP*CP*TP*CP*TP)-3', 5'-D(*CP*AP*TP*FOXP*AP*GP*AP*GP*TP*CP*AP*GP*GP*TP*TP)-3', DNA POLYMERASE, ... | Authors: | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | Deposit date: | 2012-09-06 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions. Nat.Chem.Biol., 9, 2013
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4B9M
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![BU of 4b9m by Molmil](/molmil-images/mine/4b9m) | Structure of the high fidelity DNA polymerase I with an oxidative formamidopyrimidine-dA DNA lesion -thymine basepair in the post- insertion site. | Descriptor: | 5'-D(*DC*DA*DA*FAX*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*TP*TP)-3', DNA POLYMERASE I, ... | Authors: | Gehrke, T.H, Lischke, U, Arnold, S, Schneider, S, Carell, T. | Deposit date: | 2012-09-05 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions. Nat.Chem.Biol., 9, 2013
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4C5N
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![BU of 4c5n by Molmil](/molmil-images/mine/4c5n) | Structure of the pyridoxal kinase from Staphylococcus aureus in complex with AMP-PCP and pyridoxal | Descriptor: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | Deposit date: | 2013-09-12 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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4C5M
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![BU of 4c5m by Molmil](/molmil-images/mine/4c5m) | Structure of the pyridoxal kinase from Staphylococcus aureus in complex with AMP-PCP | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION | Authors: | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | Deposit date: | 2013-09-12 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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4CH4
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![BU of 4ch4 by Molmil](/molmil-images/mine/4ch4) | Structure of pyrrolysyl-tRNA synthetase in complex with adenylated crotonyl lysine | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[({(2R)-2-amino-6-[(2E)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosine, MAGNESIUM ION, ... | Authors: | Fluegel, V, Vrabel, M, Schneider, S. | Deposit date: | 2013-11-28 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins. Plos One, 9, 2014
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4C5K
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![BU of 4c5k by Molmil](/molmil-images/mine/4c5k) | Structure of the pyridoxal kinase from Staphylococcus aureus in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION | Authors: | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | Deposit date: | 2013-09-12 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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4CH5
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![BU of 4ch5 by Molmil](/molmil-images/mine/4ch5) | Structure of pyrrolysyl-tRNA synthetase in complex with adenylated propionyl lysine | Descriptor: | (S)-2-amino-6-propionamidohexanoic(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Fluegel, V, Vrabel, M, Schneider, S. | Deposit date: | 2013-11-28 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins. Plos One, 9, 2014
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4CH3
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![BU of 4ch3 by Molmil](/molmil-images/mine/4ch3) | Structure of pyrrolysyl-tRNA synthetase in complex with adenylated butyryl lysine | Descriptor: | 1,2-ETHANEDIOL, 5'-O-({[(2R)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine, MAGNESIUM ION, ... | Authors: | Fluegel, V, Vrabel, M, Schneider, S. | Deposit date: | 2013-11-28 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins. Plos One, 9, 2014
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4DRQ
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![BU of 4drq by Molmil](/molmil-images/mine/4drq) | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S. | Deposit date: | 2012-02-17 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
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4C5J
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![BU of 4c5j by Molmil](/molmil-images/mine/4c5j) | Structure of the pyridoxal kinase from Staphylococcus aureus | Descriptor: | PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION | Authors: | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | Deposit date: | 2013-09-12 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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4C5L
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![BU of 4c5l by Molmil](/molmil-images/mine/4c5l) | Structure of the pyridoxal kinase from Staphylococcus aureus in complex with pyridoxal | Descriptor: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol, PHOSPHOMETHYLPYRIMIDINE KINASE, ... | Authors: | Nodwell, M, Alte, F, Sieber, S.A, Schneider, S. | Deposit date: | 2013-09-12 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J.Am.Chem.Soc., 136, 2014
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4CH6
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![BU of 4ch6 by Molmil](/molmil-images/mine/4ch6) | Structure of pyrrolysyl-tRNA synthetase in complex with adenylated propargyloxycarbonyl lysine | Descriptor: | (S)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Fluegel, V, Vrabel, M, Schneider, S. | Deposit date: | 2013-11-28 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis for the Site-Specific Incorporation of Lysine Derivatives Into Proteins. Plos One, 9, 2014
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8OVS
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![BU of 8ovs by Molmil](/molmil-images/mine/8ovs) | |
3CWN
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![BU of 3cwn by Molmil](/molmil-images/mine/3cwn) | Escherichia coli transaldolase b mutant f178y | Descriptor: | SULFATE ION, Transaldolase B | Authors: | Sandalova, T, Schneider, G, Samland, A. | Deposit date: | 2008-04-22 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Replacement of a Phenylalanine by a Tyrosine in the Active Site Confers Fructose-6-phosphate Aldolase Activity to the Transaldolase of Escherichia coli and Human Origin. J.Biol.Chem., 283, 2008
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8OVT
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![BU of 8ovt by Molmil](/molmil-images/mine/8ovt) | |
3BYS
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![BU of 3bys by Molmil](/molmil-images/mine/3bys) | co-crystal structure of Lck and aminopyrimidine amide 10b | Descriptor: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. J.Med.Chem., 51, 2008
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4S2C
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![BU of 4s2c by Molmil](/molmil-images/mine/4s2c) | Covalent complex of E. coli transaldolase TalB with fructose-6-phosphate | Descriptor: | 1,2-ETHANEDIOL, FRUCTOSE -6-PHOSPHATE, Transaldolase B | Authors: | Stellmacher, L, Sandalova, T, Schneider, G, Sprenger, G.A, Samland, A.K. | Deposit date: | 2015-01-20 | Release date: | 2016-01-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel mode of inhibition by D-tagatose 6-phosphate through a Heyns rearrangement in the active site of transaldolase B variants. Acta Crystallogr D Struct Biol, 72, 2016
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4S2B
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![BU of 4s2b by Molmil](/molmil-images/mine/4s2b) | Covalent complex of E. coli transaldolase TalB with tagatose-6-phosphate | Descriptor: | 2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose, SULFATE ION, Transaldolase B | Authors: | Stellmacher, L, Sandalova, T, Schneider, G, Sprenger, G.A, Samland, A.K. | Deposit date: | 2015-01-20 | Release date: | 2016-01-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Novel mode of inhibition by D-tagatose 6-phosphate through a Heyns rearrangement in the active site of transaldolase B variants. Acta Crystallogr D Struct Biol, 72, 2016
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4TRQ
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![BU of 4trq by Molmil](/molmil-images/mine/4trq) | Crystal structure of Sac3/Thp1/Sem1 | Descriptor: | 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ... | Authors: | Hellerschmied, D, Schneider, S, Kohler, A, Clausen, T. | Deposit date: | 2014-06-17 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Nuclear Pore-Associated TREX-2 Complex Employs Mediator to Regulate Gene Expression. Cell, 162, 2015
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5TIN
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![BU of 5tin by Molmil](/molmil-images/mine/5tin) | Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607 | Descriptor: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, CHLORIDE ION, GLYCINE, ... | Authors: | Shaffer, P.L, Huang, X, Chen, H. | Deposit date: | 2016-10-03 | Release date: | 2017-01-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain To Be Published
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5TIO
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![BU of 5tio by Molmil](/molmil-images/mine/5tio) | Crystal Structure of Human Glycine Receptor alpha-3 Bound to AM-3607 | Descriptor: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | Authors: | Shaffer, P.L, Huang, X, Chen, H. | Deposit date: | 2016-10-03 | Release date: | 2017-01-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain To Be Published
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6USN
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![BU of 6usn by Molmil](/molmil-images/mine/6usn) | Co-crystal structure of SPR with compound 5 | Descriptor: | (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Huang, X, Wang, K. | Deposit date: | 2019-10-28 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.773 Å) | Cite: | Virtual screening to identify potent sepiapterin reductase inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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5JM9
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![BU of 5jm9 by Molmil](/molmil-images/mine/5jm9) | Structure of S. cerevesiae mApe1 dodecamer | Descriptor: | Vacuolar aminopeptidase 1 | Authors: | Sachse, C, Bertipaglia, C. | Deposit date: | 2016-04-28 | Release date: | 2016-06-15 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (24 Å) | Cite: | Higher-order assemblies of oligomeric cargo receptor complexes form the membrane scaffold of the Cvt vesicle. Embo Rep., 17, 2016
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2XGP
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![BU of 2xgp by Molmil](/molmil-images/mine/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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2OFU
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![BU of 2ofu by Molmil](/molmil-images/mine/2ofu) | x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | Descriptor: | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity J.Med.Chem., 49, 2006
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