5AC1
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![BU of 5ac1 by Molmil](/molmil-images/mine/5ac1) | Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, RETINAL DEHYDROGENASE 1, ... | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | Deposit date: | 2015-08-11 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues. Angew.Chem.Int.Ed.Engl., 54, 2015
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5OL6
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![BU of 5ol6 by Molmil](/molmil-images/mine/5ol6) | |
5OL5
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![BU of 5ol5 by Molmil](/molmil-images/mine/5ol5) | Crystal structure of an inactivated Ssp SICLOPPS intein with CFAHPQ extein | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, DNA polymerase III subunit alpha,DNA polymerase III subunit alpha, ... | Authors: | Kick, L.M, Schneider, S. | Deposit date: | 2017-07-26 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.329 Å) | Cite: | Mechanistic Insights into Cyclic Peptide Generation by DnaE Split-Inteins through Quantitative and Structural Investigation. Chembiochem, 18, 2017
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5OL7
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5A3D
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![BU of 5a3d by Molmil](/molmil-images/mine/5a3d) | Structural insights into the recognition of cisplatin and AAF-dG lesions by Rad14 (XPA) | Descriptor: | 5'-D(*DG 5IUP*GP*A 5IUP*GP*AP*CP*G 5IUP*AP*GP*AP*DGP*AP)-3', 5'-D(*DTP*CP*TP*CP*TP*AP*C 8FGP*TP*CP*AP*TP*CP*DAP*CP)-3', DNA REPAIR PROTEIN RAD14, ... | Authors: | Kuper, J, Koch, S.C, Gasteiger, K.L, Wichlein, N, Schneider, S, Kisker, C, Carell, T. | Deposit date: | 2015-05-28 | Release date: | 2015-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights Into the Recognition of Cisplatin and Aaf-Dg Lesion by Rad14 (Xpa). Proc.Natl.Acad.Sci.USA, 112, 2015
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5OL1
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![BU of 5ol1 by Molmil](/molmil-images/mine/5ol1) | Crystal structure of an inactivated Ssp SICLOPPS intein with a CAFHPQ extein | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DNA polymerase III subunit alpha,DNA polymerase III subunit alpha, ... | Authors: | Kick, L.M, Schneider, S. | Deposit date: | 2017-07-26 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Mechanistic Insights into Cyclic Peptide Generation by DnaE Split-Inteins through Quantitative and Structural Investigation. Chembiochem, 18, 2017
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2WTF
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![BU of 2wtf by Molmil](/molmil-images/mine/2wtf) | DNA polymerase eta in complex with the cis-diammineplatinum (II) 1,3- GTG intrastrand cross-link | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*TP*GP*GP*TP*GP*AP*GP*CP)-3', 5'-D(*TP*CP*TP*TP*CP*TP*GP*TP*GP*CP *TP*CP*AP*CP*CP*AP*CP)-3', ... | Authors: | Reissner, T, Schneider, S, Ziv, O, Schorr, S, Livneh, Z, Carell, T. | Deposit date: | 2009-09-16 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of a Cisplatin-(1,3-Gtg) Cross-Link within DNA Polymerase Eta. Angew.Chem.Int.Ed.Engl., 49, 2010
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3CVV
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![BU of 3cvv by Molmil](/molmil-images/mine/3cvv) | Drosophila melanogaster (6-4) photolyase bound to ds DNA with a T-T (6-4) photolesion and F0 cofactor | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), ... | Authors: | Glas, A.F, Maul, M.J, Cryle, M.J, Barends, T.R.M, Schneider, S, Kaya, E, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2009-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The archaeal cofactor F0 is a light-harvesting antenna chromophore in eukaryotes. Proc.Natl.Acad.Sci.USA, 106, 2009
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2O6P
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![BU of 2o6p by Molmil](/molmil-images/mine/2o6p) | Crystal Structure of the heme-IsdC complex | Descriptor: | CHLORIDE ION, Iron-regulated surface determinant protein C, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sharp, K.H, Schneider, S, Cockayne, A, Paoli, M. | Deposit date: | 2006-12-08 | Release date: | 2007-02-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the heme-IsdC complex, the central conduit of the Isd iron/heme uptake system in Staphylococcus aureus. J. Biol. Chem., 282, 2007
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2WQ6
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![BU of 2wq6 by Molmil](/molmil-images/mine/2wq6) | Structure of the 6-4 photolyase of D. melanogaster in complex with the non-natural N4-methyl T(Dewar)C lesion | Descriptor: | 5'-D(*AP*CP*AP*GP*CP*GP*GP*TDYP*CDWP*GP* CP*AP*AP*GP*T)-3', 5'-D(*TP*AP*CP*CP*TP*GP*CP*GP*AP*CP* CP*GP*CP*TP*G)-3', FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Glas, A.F, Kaya, E, Schneider, S, Maul, M.J, Carell, T. | Deposit date: | 2009-08-14 | Release date: | 2010-02-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA (6-4) Photolyases Reduce Dewar Isomers for Isomerization Into (6-4) Lesions J.Am.Chem.Soc., 132, 2010
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2Y1J
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![BU of 2y1j by Molmil](/molmil-images/mine/2y1j) | CRYSTAL STRUCTURE OF A R-DIASTEREOMER ANALOGUE OF THE SPORE PHOTOPRODUCT IN COMPLEX WITH FRAGMENT DNA POLYMERASE I FROM BACILLUS STEAROTHERMOPHILUS | Descriptor: | 5'-D(*AP*GP*GP*GP*QBTP*THM*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*AP*AP*CP*CP*CP*TP)-3', DNA POLYMERASE I, ... | Authors: | Heil, K, Schneider, S, Mueller, M, Kneuttinger, A.C, Carell, T. | Deposit date: | 2010-12-08 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures and Repair Studies Reveal the Identity and the Base-Pairing Properties of the Uv-Induced Spore Photoproduct DNA Lesion. Chemistry, 17, 2011
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2XY5
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![BU of 2xy5 by Molmil](/molmil-images/mine/2xy5) | Crystal structure of an artificial salen-copper basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*SAYP*TP*CP*CP*CP*TP)-3', ... | Authors: | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | Deposit date: | 2010-11-15 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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2XY6
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![BU of 2xy6 by Molmil](/molmil-images/mine/2xy6) | Crystal structure of a salicylic aldehyde basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', ... | Authors: | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | Deposit date: | 2010-11-15 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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2XY7
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![BU of 2xy7 by Molmil](/molmil-images/mine/2xy7) | Crystal structure of a salicylic aldehyde base in the pre-insertion site of fragment DNA polymerase I from Bacillus stearothermophilus | Descriptor: | 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*GP)-3', 5'-D(*SAYP*CP*GP*AP*GP*TP*CP*AP*GP*GP*CP)-3', DNA POLYMERASE I, ... | Authors: | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | Deposit date: | 2010-11-15 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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2Y1I
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![BU of 2y1i by Molmil](/molmil-images/mine/2y1i) | Crystal structure of a S-diastereomer analogue of the spore photoproduct in complex with fragment DNA polymerase I from Bacillus stearothermophilus | Descriptor: | 5'-D(*AP*GP*GP*GP*PBTP*THM*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*AP*AP*CP*CP*CP*TP)-3', DNA POLYMERASE I, ... | Authors: | Heil, K, Schneider, S, Mueller, M, Kneuttinger, A.C, Carell, T. | Deposit date: | 2010-12-08 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Crystal Structures and Repair Studies Reveal the Identity and the Base-Pairing Properties of the Uv-Induced Spore Photoproduct DNA Lesion. Chemistry, 17, 2011
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2WQ7
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![BU of 2wq7 by Molmil](/molmil-images/mine/2wq7) | Structure of the 6-4 photolyase of D. melanogaster in complex with the non-natural N4-methyl T(6-4)C lesion | Descriptor: | 5'-D(*AP*CP*AP*GP*CP*GP*GP*TDYP*ZP*GP* CP*AP*AP*GP*T)-3', 5'-D(*TP*AP*CP*CP*TP*GP*CP*GP*AP*CP* CP*GP*CP*TP*G)-3', FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Glas, A.F, Kaya, E, Schneider, S, Maul, M.J, Carell, T. | Deposit date: | 2009-08-14 | Release date: | 2010-02-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA (6-4) Photolyases Reduce Dewar Isomers for Isomerization Into (6-4) Lesions. J.Am.Chem.Soc., 132, 2010
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6G58
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![BU of 6g58 by Molmil](/molmil-images/mine/6g58) | Structure of the alanine racemase from Staphylococcus aureus in complex with a pyridoxal 5' phosphate-derivative | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate, ... | Authors: | Hoegl, A, Sieber, S.A, Schneider, S. | Deposit date: | 2018-03-29 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mining the cellular inventory of pyridoxal phosphate-dependent enzymes with functionalized cofactor mimics. Nat Chem, 10, 2018
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6H23
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![BU of 6h23 by Molmil](/molmil-images/mine/6h23) | Crystal structure of the hClpP Y118A mutant with an activating small molecule | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | Authors: | Kick, L.M, Sieber, S.A, Schneider, S. | Deposit date: | 2018-07-13 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Selective Activation of Human Caseinolytic Protease P (ClpP). Angew. Chem. Int. Ed. Engl., 57, 2018
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6G56
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![BU of 6g56 by Molmil](/molmil-images/mine/6g56) | |
6G59
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![BU of 6g59 by Molmil](/molmil-images/mine/6g59) | Structure of the alanine racemase from Staphylococcus aureus in complex with an pyridoxal-6- phosphate derivative | Descriptor: | (6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate, Alanine racemase 1, CHLORIDE ION, ... | Authors: | Hoegl, A, Sieber, S.A, Schneider, S. | Deposit date: | 2018-03-29 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Mining the cellular inventory of pyridoxal phosphate-dependent enzymes with functionalized cofactor mimics. Nat Chem, 10, 2018
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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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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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4B9V
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![BU of 4b9v by Molmil](/molmil-images/mine/4b9v) | Structure of the high fidelity DNA polymerase I with extending from an oxidative formamidopyrimidine-dG DNA lesion -dA basepair. | Descriptor: | 5'-D(*CP*AP*TP*FOXP*AP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*TP*AP*AP)-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 (2 Å) | Cite: | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions. Nat.Chem.Biol., 9, 2013
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4B9T
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![BU of 4b9t by Molmil](/molmil-images/mine/4b9t) | Structure of the high fidelity DNA polymerase I with an oxidative formamidopyrimidine-dG DNA lesion -dC basepair in the post-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 (2.65 Å) | Cite: | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions. Nat.Chem.Biol., 9, 2013
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4B9U
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![BU of 4b9u by Molmil](/molmil-images/mine/4b9u) | Structure of the high fidelity DNA polymerase I with an oxidative formamidopyrimidine-dG DNA lesion -dA basepair in the post-insertion site. | Descriptor: | 5'-D(*CP*AP*AP*FOXP*CP*GP*AP*GP*TP*CP*AP*GP*GP*CP*TP)-3', 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*GP*AP)-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 (2.1 Å) | Cite: | Unexpected Non-Hoogsteen-Based Mutagenicity Mechanism of Fapy-DNA Lesions. Nat.Chem.Biol., 9, 2013
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