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PDB: 41 件
7A16
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CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2229238A (COMPOUND 43)
分子名称: 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A15
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CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2224863A (COMPOUND 42)
分子名称: 5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
1QZL
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BU of 1qzl by Molmil
GCATGCT + Cobalt
分子名称: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', COBALT (II) ION
著者Cardin, C.J, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
登録日2003-09-17
公開日2003-10-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Metal Ion Distribution and Stabilisation of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be published
1QYL
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BU of 1qyl by Molmil
GCATGCT + Vanadium
分子名称: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', VANADIUM ION
著者Cardin, C.J, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
登録日2003-09-11
公開日2003-10-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Metal Ion Distribution and Stabilisation of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be Published
1R2O
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BU of 1r2o by Molmil
d(GCATGCT) + Ni2+
分子名称: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', NICKEL (II) ION
著者Cardin, J.C, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
登録日2003-09-29
公開日2003-10-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Metal Ion Distribution and Stabilization of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be published
367D
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BU of 367d by Molmil
1.2 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/5-BROMO-9-AMINO-DACA COMPLEX
分子名称: 5'-D(*CP*GP*(BRU)P*AP*CP*G)-3', 5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE, BROMIDE ION
著者Todd, A.K, Adams, A, Thorpe, J.H, Denny, W.A, Cardin, C.J.
登録日1997-12-19
公開日2003-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethlyamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5Br-U)ACG)2 at 1.3-angstrom resolution
J.Med.Chem., 42, 1999
366D
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BU of 366d by Molmil
1.3 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/6-BROMO-9-AMINO-DACA COMPLEX
分子名称: 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*(BRU)P*AP*CP*G)-3')
著者Todd, A.K, Adams, A, Thorpe, J.H, Denny, W.A, Cardin, C.J.
登録日1997-12-19
公開日1999-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethylamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5-BrU)ACG)2 at 1.3-A resolution.
J.Med.Chem., 42, 1999
1EG6
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BU of 1eg6 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF D(CG(5-BRU)ACG) COMPLEXES TO A PHENAZINE
分子名称: 5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3', 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE, BROMIDE ION, ...
著者Cardin, C.J, Denny, W.A, Hobbs, J.R, Thorpe, J.H.
登録日2000-02-14
公開日2001-01-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Guanine specific binding at a DNA junction formed by d[CG(5-BrU)ACG](2) with a topoisomerase poison in the presence of Co(2+) ions.
Biochemistry, 39, 2000
1K2L
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BU of 1k2l by Molmil
STRUCTURAL CHARACTERIZATION OF BISINTERCALATION IN HIGHER-ORDER DNA AT A JUNCTION-LIKE QUADRUPLEX
分子名称: 5'-D(*CP*GP*TP*AP*CP*G)-3', BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION
著者Teixeira, S.C.M, Thorpe, J.H, Todd, A.K, Powell, H.R, Adams, A, Wakelin, L.P.G, Denny, W.A, Cardin, C.J.
登録日2001-09-28
公開日2002-10-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Characterisation of Bisintercalation in Higher-order DNA at a Junction-like Quadruplex
J.MOL.BIOL., 323, 2002
1NVN
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BU of 1nvn by Molmil
Structural Characterisation of the Holliday junction formed by the sequence CCGGTACCGG at 1.8 A
分子名称: 5'-D(CpCpGpGpTpApCpCpGpG)-3', CALCIUM ION
著者Cardin, C.J, Gale, B.C, Thorpe, J.H, Teixeira, S.C.M, Gan, Y, Moraes, M.I.A.A, Brogden, A.L.
登録日2003-02-04
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of two Holliday junctions formed by the sequences TCGGTACCGA and CCGGTACCGG
To be Published
1M69
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BU of 1m69 by Molmil
Atomic Resolution Structure of 5Br-9amino-DACA with d[CGTACG]2
分子名称: 5'-D(*CP*GP*TP*AP*CP*G)-3', 5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-AMINOACRIDINE-4-CARBOXAMIDE, SPERMINE
著者Teixeira, S.C.M, Thorpe, J.H, Todd, A.K, Cardin, C.J.
登録日2002-07-15
公開日2003-08-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Heavy Going: the Atomic Resolution Structure of a Topoisomerase II Poison Intercalating into DNA in Multiple Orientations Also Reveals a Multiple Adenine-Thymine Hydrogen Bonding Pattern
To be Published
1NT8
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BU of 1nt8 by Molmil
Structural Characterisation of the Holliday junction formed by the sequence CCGGTACCGG at 2.00 A
分子名称: 5'-d(CpCpGpGpTpApCpCpGpG)-3', CALCIUM ION
著者Cardin, C.J, Gale, B.C, Thorpe, J.H, Texieira, S.C.M, Gan, Y, Moraes, M.I.A.A, Brogden, A.L.
登録日2003-01-29
公開日2003-02-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of two Holliday Junctions formed by the sequences TCGGTACCGA and CCGGTACCGG
To be Published
1NQS
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BU of 1nqs by Molmil
Structural Characterisation of the Holliday Junction formed by the sequence d(TCGGTACCGA) at 1.97 A
分子名称: 5'-d(TpCpGpGpTpApCpCpGpA)-3', CALCIUM ION
著者Cardin, C.J, Gale, B.C, Thorpe, J.H, Texieira, S.C.M, Gan, Y, Moraes, M.I.A.A, Brogden, A.L.
登録日2003-01-22
公開日2003-02-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Analysis of two Holliday junctions formed by the sequences TCGGTACCGA and CCGGTACCGG
To be Published
1NVY
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BU of 1nvy by Molmil
Strontium bound to the Holliday junction sequence d(TCGGTACCGA)4
分子名称: STRONTIUM ION, d(TCGGTACCGA)4
著者Cardin, C.J, Thorpe, J.H, Gale, B.C, Teixeira, S.C.M.
登録日2003-02-05
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Strontium, a MAD taerget for the DNA Holliday junction
To be published
1QYK
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BU of 1qyk by Molmil
GCATGCT + Barium
分子名称: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', BARIUM ION
著者Cardin, C.J, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
登録日2003-09-11
公開日2003-10-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Metal Ion Distribution and Stabilization of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be published
2UWP
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Factor Xa inhibitor complex
分子名称: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
著者Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P, Thorpe, J.H.
登録日2007-03-22
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
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