227D
| A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY | Descriptor: | 2,5-BIS(4-GUANYLPHENYL)FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Laughton, C.A, Tanious, F, Nunn, C.M, Boykin, D.W, Wilson, W.D, Neidle, S. | Deposit date: | 1995-08-08 | Release date: | 1995-11-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity. Biochemistry, 35, 1996
|
|
4Z3W
| Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1,5 Dienoyl-CoA | Descriptor: | 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ... | Authors: | Weinert, T, Kung, J, Weidenweber, S, Huwiler, S, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
|
|
289D
| TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | Descriptor: | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN, DNA (5'-R(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S. | Deposit date: | 1996-10-10 | Release date: | 1996-12-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2. J.Med.Chem., 39, 1996
|
|
5AC2
| human aldehyde dehydrogenase 1A1 with duocarmycin analog | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, RETINAL DEHYDROGENASE 1, YTTERBIUM (III) ION, ... | 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 (1.85 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
|
|
5ABM
| Sheep aldehyde dehydrogenase 1A1 | Descriptor: | MAGNESIUM ION, RETINAL DEHYDROGENASE 1, [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | Deposit date: | 2015-08-07 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 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
|
|
5A39
| Structure of Rad14 in complex with cisplatin containing DNA | Descriptor: | 5'-D(*DGP*AP*TP*GP*AP*CP*CP*GP*TP*AP*GP*AP*GP)-3', 5'-D(*DTP*GP*AP*TP*GP*AP*CP*CP*GP*TP*AP*GP*AP)-3', Cisplatin, ... | Authors: | Koch, S.C, Kuper, J, Gasteiger, K.L, Wichlein, N, Strasser, R, Eisen, D, Geiger, S, Schneider, S, Kisker, C, Carell, T. | Deposit date: | 2015-05-28 | Release date: | 2015-06-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights Into the Recognition of Cisplatin and Aaf-Dg Lesion by Rad14 (Xpa). Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5AC0
| ovis aries Aldehyde Dehydrogenase 1A1 in complex with a duocarmycin analog | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | Deposit date: | 2015-08-10 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 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
|
|
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
|
|
4Z40
| Active site complex BamBC of Benzoyl Coenzyme A reductase as isolated | Descriptor: | Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ... | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
|
|
4Z3Z
| Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Zinc | Descriptor: | Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ... | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.666 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
|
|
4Z3Y
| Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Benzoyl-CoA | Descriptor: | Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ... | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.359 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
|
|
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
|
|
4Z3X
| Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1-Monoenoyl-CoA | Descriptor: | 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ... | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
|
|
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
|
|
1JRN
| |
5C7X
| Crystal structure of MOR04357, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, ... | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | Deposit date: | 2015-06-25 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody. Mabs, 8, 2016
|
|
5D71
| Crystal structure of MOR04302, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | Descriptor: | DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, ... | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | Deposit date: | 2015-08-13 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody. Mabs, 8, 2016
|
|
5D70
| Crystal structure of MOR03929, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | Descriptor: | Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, heavy chain, ... | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | Deposit date: | 2015-08-13 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody. Mabs, 8, 2016
|
|
5D7S
| Crystal structure of MOR04357, a neutralizing anti-human GM-CSF antibody Fab fragment | Descriptor: | (2S,3S)-butane-2,3-diol, Immunglobulin G1 Fab fragment, heavy chain, ... | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | Deposit date: | 2015-08-14 | Release date: | 2015-10-14 | Last modified: | 2016-01-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody. Mabs, 8, 2016
|
|
5D72
| Crystal structure of MOR04252, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | Descriptor: | DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, ... | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | Deposit date: | 2015-08-13 | Release date: | 2015-10-14 | Last modified: | 2016-01-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody. Mabs, 8, 2016
|
|
166D
| |
6WGI
| Atomic model of the mutant OCCM (ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) loaded on DNA at 10.5 A resolution | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (34-MER), ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6WGF
| Atomic model of mutant Mcm2-7 hexamer with Mcm6 WHD truncation | Descriptor: | DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, DNA replication licensing factor MCM4, ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7RBQ
| Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | Descriptor: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-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: | 2021-07-06 | Release date: | 2021-08-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor To Be Published
|
|
6WGG
| Atomic model of pre-insertion mutant OCCM-DNA complex(ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (41-MER), ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (8.1 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|