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1FMS
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BU of 1fms by Molmil
Structure of complex between cyclohexyl-bis-furamidine and d(CGCGAATTCGCG)
分子名称: 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
著者Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S.
登録日2000-08-18
公開日2000-09-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans
Bioorg.Med.Chem.Lett., 10, 2000
7RBQ
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BU of 7rbq by Molmil
Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
分子名称: 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, ...
著者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)
登録日2021-07-06
公開日2021-08-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
5D70
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BU of 5d70 by Molmil
Crystal structure of MOR03929, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF
分子名称: Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, heavy chain, ...
著者Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M.
登録日2015-08-13
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
5D7S
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BU of 5d7s by Molmil
Crystal structure of MOR04357, a neutralizing anti-human GM-CSF antibody Fab fragment
分子名称: (2S,3S)-butane-2,3-diol, Immunglobulin G1 Fab fragment, heavy chain, ...
著者Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M.
登録日2015-08-14
公開日2015-10-14
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
5D72
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BU of 5d72 by Molmil
Crystal structure of MOR04252, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF
分子名称: DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, ...
著者Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M.
登録日2015-08-13
公開日2015-10-14
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
5A3D
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BU of 5a3d by Molmil
Structural insights into the recognition of cisplatin and AAF-dG lesions by Rad14 (XPA)
分子名称: 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, ...
著者Kuper, J, Koch, S.C, Gasteiger, K.L, Wichlein, N, Schneider, S, Kisker, C, Carell, T.
登録日2015-05-28
公開日2015-07-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights Into the Recognition of Cisplatin and Aaf-Dg Lesion by Rad14 (Xpa).
Proc.Natl.Acad.Sci.USA, 112, 2015
5D71
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BU of 5d71 by Molmil
Crystal structure of MOR04302, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF
分子名称: DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, ...
著者Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M.
登録日2015-08-13
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
2GWE
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BU of 2gwe by Molmil
Crystal structure of D(G4T4G4) with six quadruplexes in the asymmetric unit.
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Lee, M.P.H, Haider, S, Parkinson, G.N, Neidle, S.
登録日2006-05-04
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of D(G4T4G4) with four and six quadruplexes in the asymmetric unit.
To be Published
3NYP
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BU of 3nyp by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
分子名称: 3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Campbell, N.H, Neidle, S.
登録日2010-07-15
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.179 Å)
主引用文献Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Org.Biomol.Chem., 9, 2011
3NZ7
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BU of 3nz7 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
分子名称: 3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Campbell, N.H, Neidle, S.
登録日2010-07-16
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Org.Biomol.Chem., 9, 2011
2GWQ
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BU of 2gwq by Molmil
Crystal structure of D(G4T4G4) with four quadruplexes in the asymmetric unit.
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Lee, M.P.H, Parkinson, G.N, Neidle, S.
登録日2006-05-05
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of D(G4T4G4) with four and six quadruplexes in the asymmetric unit.
To be Published
1PRP
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BU of 1prp by Molmil
CRYSTAL STRUCTURE OF D(CGCGAATTCGCG) COMPLEXED WITH PROPAMIDINE, A SHORT-CHAIN HOMOLOGUE OF THE DRUG PENTAMIDIN
分子名称: 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Nunn, C.M, Jenkins, T.C, Neidle, S.
登録日1993-07-23
公開日1994-01-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of d(CGCGAATTCGCG) complexed with propamidine, a short-chain homologue of the drug pentamidine.
Biochemistry, 32, 1993
3IBK
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BU of 3ibk by Molmil
Crystal structure of a telomeric RNA quadruplex
分子名称: POTASSIUM ION, RNA (5'-R(*(5BU)P*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3')
著者Collie, G.W, Neidle, S, Parkinson, G.N.
登録日2009-07-16
公開日2010-05-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A crystallographic and modelling study of a human telomeric RNA (TERRA) quadruplex
Nucleic Acids Res., 38, 2010
4BBX
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BU of 4bbx by Molmil
Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia
分子名称: 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, ...
著者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.
登録日2012-09-28
公開日2013-10-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia.
J.Med.Chem., 57, 2014
1IDT
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BU of 1idt by Molmil
STRUCTURAL STUDIES ON A PRODRUG-ACTIVATING SYSTEM-CB1954 AND FMN-DEPENDENT NITROREDUCTASE
分子名称: 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN MONONUCLEOTIDE, MINOR FMN-DEPENDENT NITROREDUCTASE
著者Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S.
登録日2001-04-05
公開日2003-09-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2WQ7
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BU of 2wq7 by Molmil
Structure of the 6-4 photolyase of D. melanogaster in complex with the non-natural N4-methyl T(6-4)C lesion
分子名称: 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, ...
著者Glas, A.F, Kaya, E, Schneider, S, Maul, M.J, Carell, T.
登録日2009-08-14
公開日2010-02-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA (6-4) Photolyases Reduce Dewar Isomers for Isomerization Into (6-4) Lesions.
J.Am.Chem.Soc., 132, 2010
4WO3
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BU of 4wo3 by Molmil
THE SECOND C-KIT DNA QUADRUPLEX CRYSTAL STRUCTURE
分子名称: 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
著者Wei, D, Neidle, S.
登録日2014-10-15
公開日2014-10-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献THE SECOND C-KIT1 DNA QUADRUPLEX CRYSTAL STRUCTURE
TO BE PUBLISHED
6H23
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BU of 6h23 by Molmil
Crystal structure of the hClpP Y118A mutant with an activating small molecule
分子名称: 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
著者Kick, L.M, Sieber, S.A, Schneider, S.
登録日2018-07-13
公開日2018-08-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.089 Å)
主引用文献Selective Activation of Human Caseinolytic Protease P (ClpP).
Angew. Chem. Int. Ed. Engl., 57, 2018
166D
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BU of 166d by Molmil
DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2
分子名称: 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Nunn, C.M, Jenkins, T.C, Neidle, S.
登録日1994-03-17
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition.
Eur.J.Biochem., 226, 1994
1L1H
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BU of 1l1h by Molmil
Crystal Structure of the Quadruplex DNA-Drug Complex
分子名称: 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Haider, S.M, Parkinson, G.N, Neidle, S.
登録日2002-02-16
公開日2003-02-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of a G-quadruplex-Ligand Complex
J.Mol.Biol., 326, 2003
2XY7
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Crystal structure of a salicylic aldehyde base in the pre-insertion site of fragment DNA polymerase I from Bacillus stearothermophilus
分子名称: 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, ...
著者Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T.
登録日2010-11-15
公開日2011-07-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair.
Nature Chem., 3, 2011
2WQ6
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BU of 2wq6 by Molmil
Structure of the 6-4 photolyase of D. melanogaster in complex with the non-natural N4-methyl T(Dewar)C lesion
分子名称: 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, ...
著者Glas, A.F, Kaya, E, Schneider, S, Maul, M.J, Carell, T.
登録日2009-08-14
公開日2010-02-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献DNA (6-4) Photolyases Reduce Dewar Isomers for Isomerization Into (6-4) Lesions
J.Am.Chem.Soc., 132, 2010
2XY5
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Crystal structure of an artificial salen-copper basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus
分子名称: (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', ...
著者Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T.
登録日2010-11-15
公開日2011-07-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair.
Nature Chem., 3, 2011
2Y1I
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Crystal structure of a S-diastereomer analogue of the spore photoproduct in complex with fragment DNA polymerase I from Bacillus stearothermophilus
分子名称: 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, ...
著者Heil, K, Schneider, S, Mueller, M, Kneuttinger, A.C, Carell, T.
登録日2010-12-08
公開日2011-07-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Crystal Structures and Repair Studies Reveal the Identity and the Base-Pairing Properties of the Uv-Induced Spore Photoproduct DNA Lesion.
Chemistry, 17, 2011
2XY6
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Crystal structure of a salicylic aldehyde basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', ...
著者Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T.
登録日2010-11-15
公開日2011-07-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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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