1FMS
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![BU of 1fms by Molmil](/molmil-images/mine/1fms) | Structure of complex between cyclohexyl-bis-furamidine and d(CGCGAATTCGCG) | Descriptor: | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. | Deposit date: | 2000-08-18 | Release date: | 2000-09-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans Bioorg.Med.Chem.Lett., 10, 2000
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7RBQ
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![BU of 7rbq by Molmil](/molmil-images/mine/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
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5D70
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![BU of 5d70 by Molmil](/molmil-images/mine/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
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5D7S
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![BU of 5d7s by Molmil](/molmil-images/mine/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
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5D72
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![BU of 5d72 by Molmil](/molmil-images/mine/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
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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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5D71
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![BU of 5d71 by Molmil](/molmil-images/mine/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
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2GWE
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![BU of 2gwe by Molmil](/molmil-images/mine/2gwe) | |
3NYP
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![BU of 3nyp by Molmil](/molmil-images/mine/3nyp) | |
3NZ7
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![BU of 3nz7 by Molmil](/molmil-images/mine/3nz7) | |
2GWQ
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![BU of 2gwq by Molmil](/molmil-images/mine/2gwq) | |
1PRP
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![BU of 1prp by Molmil](/molmil-images/mine/1prp) | CRYSTAL STRUCTURE OF D(CGCGAATTCGCG) COMPLEXED WITH PROPAMIDINE, A SHORT-CHAIN HOMOLOGUE OF THE DRUG PENTAMIDIN | Descriptor: | 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Nunn, C.M, Jenkins, T.C, Neidle, S. | Deposit date: | 1993-07-23 | Release date: | 1994-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of d(CGCGAATTCGCG) complexed with propamidine, a short-chain homologue of the drug pentamidine. Biochemistry, 32, 1993
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3IBK
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![BU of 3ibk by Molmil](/molmil-images/mine/3ibk) | |
4BBX
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![BU of 4bbx by Molmil](/molmil-images/mine/4bbx) | Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia | Descriptor: | 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | Authors: | Bartolome-Nebreda, J.M, Conde-Ceide, S, Delgado, F, Martin, M.L, Martinez-Viturro, C.M, Pastor, J, Tong, H.M, Iturrino, L, Macdonald, G.J, Sanderson, W, Megens, A, Langlois, X, Somers, M, Vanhoof, G. | Deposit date: | 2012-09-28 | Release date: | 2013-10-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia. J.Med.Chem., 57, 2014
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1IDT
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![BU of 1idt by Molmil](/molmil-images/mine/1idt) | STRUCTURAL STUDIES ON A PRODRUG-ACTIVATING SYSTEM-CB1954 AND FMN-DEPENDENT NITROREDUCTASE | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN MONONUCLEOTIDE, MINOR FMN-DEPENDENT NITROREDUCTASE | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2001-04-05 | Release date: | 2003-09-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form. J.Med.Chem., 46, 2003
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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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4WO3
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![BU of 4wo3 by Molmil](/molmil-images/mine/4wo3) | THE SECOND C-KIT DNA QUADRUPLEX CRYSTAL STRUCTURE | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3'), POTASSIUM ION | Authors: | Wei, D, Neidle, S. | Deposit date: | 2014-10-15 | Release date: | 2014-10-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | THE SECOND C-KIT1 DNA QUADRUPLEX CRYSTAL STRUCTURE TO BE PUBLISHED
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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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166D
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1L1H
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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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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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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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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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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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