2B0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b0k by Molmil](/molmil-images/mine/2b0k) | Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex. | Descriptor: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Miao, Y, Lee, M.P, Parkinson, G.N, Batista-Parra, A, Ismail, M.A, Neidle, S, Boykin, D.W, Wilson, W.D. | Deposit date: | 2005-09-14 | Release date: | 2005-11-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove. Biochemistry, 44, 2005
|
|
6WGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wgf by Molmil](/molmil-images/mine/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
|
|
4WO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wo2 by Molmil](/molmil-images/mine/4wo2) | |
8XP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xp9 by Molmil](/molmil-images/mine/8xp9) | Crystal structure of d(ACGCCGT/ACGGCGT) | Descriptor: | DNA (5'-D(P*AP*CP*GP*CP*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*GP*CP*GP*T)-3') | Authors: | Hou, M.H, Lin, S.M, Lin, Y.J, Neidle, S. | Deposit date: | 2024-01-03 | Release date: | 2024-05-29 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis of water-mediated cis Watson-Crick/Hoogsteen base-pair formation in non-CpG methylation. Nucleic Acids Res., 2024
|
|
8XPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xpb by Molmil](/molmil-images/mine/8xpb) | Crystal structure of d(ACGCCGT/ACGGCGT) in complex with Echinomycin | Descriptor: | 2-CARBOXYQUINOXALINE, DNA (5'-D(P*AP*CP*GP*CP*CP*GP*T)-3'), DNA (5'-D(P*AP*CP*GP*GP*CP*GP*T)-3'), ... | Authors: | Hou, M.H, Huang, H.T, Lin, S.M, Neidle, S. | Deposit date: | 2024-01-03 | Release date: | 2024-05-29 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of water-mediated cis Watson-Crick/Hoogsteen base-pair formation in non-CpG methylation. Nucleic Acids Res., 2024
|
|
6QF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qf1 by Molmil](/molmil-images/mine/6qf1) | X-Ray structure of Proteinase K crystallized on a silicon chip | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Proteinase K | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.737 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
|
|
6QF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qf2 by Molmil](/molmil-images/mine/6qf2) | X-Ray structure of Thermolysin crystallized on a silicon chip | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, ... | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
|
|
6QF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qf3 by Molmil](/molmil-images/mine/6qf3) | X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ... | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
|
|
6QF4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qf4 by Molmil](/molmil-images/mine/6qf4) | X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
|
|
6W4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w4v by Molmil](/molmil-images/mine/6w4v) | Structure of anti-ferroportin Fab45D8 | Descriptor: | 1,2-ETHANEDIOL, Fab45D8 Heavy Chain, Fab45D8 Light Chain | Authors: | Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A. | Deposit date: | 2020-03-11 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms. Nature, 586, 2020
|
|
7U9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u9i by Molmil](/molmil-images/mine/7u9i) | Co-crystal structure of human CARM1 in complex with MT556 inhibitor | Descriptor: | 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-10 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human CARM1 in complex with MT556 inhibitor To Be Published
|
|
6W4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w4s by Molmil](/molmil-images/mine/6w4s) | Structure of apo human ferroportin in lipid nanodisc | Descriptor: | Fab45D8 Heavy Chain, Fab45D8 Light Chain, Solute carrier family 40 member 1 | Authors: | Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A. | Deposit date: | 2020-03-11 | Release date: | 2020-09-09 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms. Nature, 586, 2020
|
|
6WBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wbv by Molmil](/molmil-images/mine/6wbv) | Structure of human ferroportin bound to hepcidin and cobalt in lipid nanodisc | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, COBALT (II) ION, Fab45D8 Heavy Chain, ... | Authors: | Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A. | Deposit date: | 2020-03-27 | Release date: | 2020-09-09 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms. Nature, 586, 2020
|
|
2KQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kqh by Molmil](/molmil-images/mine/2kqh) | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics | Descriptor: | 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*GP*CP*GP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3', POTASSIUM ION | Authors: | Hsu, S.-T.D, Varnai, P, Bugaut, A, Reszka, A.P, Neidle, S, Balasubramanian, S. | Deposit date: | 2009-11-05 | Release date: | 2009-11-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics J.Am.Chem.Soc., 131, 2009
|
|
2KQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kqg by Molmil](/molmil-images/mine/2kqg) | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics | Descriptor: | 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*AP*CP*GP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3', POTASSIUM ION | Authors: | Hsu, S.-T.D, Varnai, P, Bugaut, A, Reszka, A.P, Neidle, S, Balasubramanian, S. | Deposit date: | 2009-11-05 | Release date: | 2009-11-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics J.Am.Chem.Soc., 131, 2009
|
|
3MIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mij by Molmil](/molmil-images/mine/3mij) | Crystal structure of a telomeric RNA G-quadruplex complexed with an acridine-based ligand. | Descriptor: | N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION, RNA (5'-R(*UP*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3') | Authors: | Collie, G.W, Neidle, S, Parkinson, G.N. | Deposit date: | 2010-04-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of telomeric RNA quadruplex-acridine ligand recognition. J.Am.Chem.Soc., 133, 2011
|
|
3OIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oie by Molmil](/molmil-images/mine/3oie) | Crystal structure of the DB1880-D(CGCGAATTCGCG)2 complex | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide | Authors: | Lin, S, Neidle, S, Campbell, N. | Deposit date: | 2010-08-19 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the DB1880-D(CGCGAATTCGCG)2 complex To be Published
|
|
8PTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ptt by Molmil](/molmil-images/mine/8ptt) | Human NUDT5 in complex with MRK-952 | Descriptor: | 6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine, ADP-sugar pyrophosphatase, MAGNESIUM ION | Authors: | Diaz-Saez, L, Koekemoer, L, Feyerherm, C, Sloman, S, Fischer, C, Schneider, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K.V.M. | Deposit date: | 2023-07-14 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human NUDT5 in complex with MRK-952 To Be Published
|
|
1KF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kf1 by Molmil](/molmil-images/mine/1kf1) | |
2WB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wb2 by Molmil](/molmil-images/mine/2wb2) | Drosophila Melanogaster (6-4) Photolyase Bound To double stranded Dna containing a T(6-4)C Photolesion | Descriptor: | 5'-D(*AP*CP*AP*GP*CP*GP*GP*64PP*ZP*GP*CP*AP *GP*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, Schneider, S, Maul, M.J, Hennecke, U, Carell, T. | Deposit date: | 2009-02-20 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of the T(6-4)C Lesion in Complex with a (6-4) DNA Photolyase and Repair of Uv- Induced (6-4) and Dewar Photolesions. Chemistry, 15, 2009
|
|
1K8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k8p by Molmil](/molmil-images/mine/1k8p) | |
4Z3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z3w by Molmil](/molmil-images/mine/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
|
|
5AC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ac0 by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5A39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a39 by Molmil](/molmil-images/mine/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
|
|