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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
Descriptor: 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*(BRU)P*AP*CP*G)-3')
Authors:Todd, A.K, Adams, A, Thorpe, J.H, Denny, W.A, Cardin, C.J.
Deposit date:1997-12-19
Release date:1999-04-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
1QZL
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BU of 1qzl by Molmil
GCATGCT + Cobalt
Descriptor: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', COBALT (II) ION
Authors:Cardin, C.J, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
Deposit date:2003-09-17
Release date:2003-10-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.85 Å)
Cite: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
Descriptor: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', VANADIUM ION
Authors:Cardin, C.J, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
Deposit date:2003-09-11
Release date:2003-10-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Metal Ion Distribution and Stabilisation of the DNA Quadruplex Structure Formed by d(GCATGCT)
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
Descriptor: 5'-d(CpCpGpGpTpApCpCpGpG)-3', CALCIUM ION
Authors:Cardin, C.J, Gale, B.C, Thorpe, J.H, Texieira, S.C.M, Gan, Y, Moraes, M.I.A.A, Brogden, A.L.
Deposit date:2003-01-29
Release date:2003-02-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of two Holliday Junctions formed by the sequences TCGGTACCGA and CCGGTACCGG
To be Published
1QYK
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BU of 1qyk by Molmil
GCATGCT + Barium
Descriptor: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', BARIUM ION
Authors:Cardin, C.J, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
Deposit date:2003-09-11
Release date:2003-10-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Metal Ion Distribution and Stabilization 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+
Descriptor: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', NICKEL (II) ION
Authors:Cardin, J.C, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
Deposit date:2003-09-29
Release date:2003-10-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Metal Ion Distribution and Stabilization of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be published
1M69
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BU of 1m69 by Molmil
Atomic Resolution Structure of 5Br-9amino-DACA with d[CGTACG]2
Descriptor: 5'-D(*CP*GP*TP*AP*CP*G)-3', 5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-AMINOACRIDINE-4-CARBOXAMIDE, SPERMINE
Authors:Teixeira, S.C.M, Thorpe, J.H, Todd, A.K, Cardin, C.J.
Deposit date:2002-07-15
Release date:2003-08-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
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
Descriptor: 5'-d(TpCpGpGpTpApCpCpGpA)-3', CALCIUM ION
Authors:Cardin, C.J, Gale, B.C, Thorpe, J.H, Texieira, S.C.M, Gan, Y, Moraes, M.I.A.A, Brogden, A.L.
Deposit date:2003-01-22
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: STRONTIUM ION, d(TCGGTACCGA)4
Authors:Cardin, C.J, Thorpe, J.H, Gale, B.C, Teixeira, S.C.M.
Deposit date:2003-02-05
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Strontium, a MAD taerget for the DNA Holliday junction
To be published
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
Descriptor: 5'-D(CpCpGpGpTpApCpCpGpG)-3', CALCIUM ION
Authors:Cardin, C.J, Gale, B.C, Thorpe, J.H, Teixeira, S.C.M, Gan, Y, Moraes, M.I.A.A, Brogden, A.L.
Deposit date:2003-02-04
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of two Holliday junctions formed by the sequences TCGGTACCGA and CCGGTACCGG
To be Published
7A16
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BU of 7a16 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2229238A (COMPOUND 43)
Descriptor: 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, ...
Authors:Thorpe, J.H.
Deposit date:2020-08-11
Release date:2020-09-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A14
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BU of 7a14 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2218325A (COMPOUND 32)
Descriptor: 5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
Authors:Thorpe, J.H.
Deposit date:2020-08-11
Release date:2020-09-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite: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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BU of 7a15 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2224863A (COMPOUND 42)
Descriptor: 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, ...
Authors:Thorpe, J.H.
Deposit date:2020-08-11
Release date:2020-09-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A13
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BU of 7a13 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK1978537A (COMPOUND 27)
Descriptor: 5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
Authors:Thorpe, J.H.
Deposit date:2020-08-11
Release date:2020-09-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
7A12
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BU of 7a12 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GW557358X (COMPOUND 9)
Descriptor: 5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
Authors:Thorpe, J.H.
Deposit date:2020-08-11
Release date:2020-09-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
3T86
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BU of 3t86 by Molmil
d(GCATGCT) + calcium
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), POTASSIUM ION
Authors:Cardin, C.J, Gan, Y.
Deposit date:2011-08-01
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel structure for the d(GCATGCT) quadruplex in the presence of nickel and cobalt aqueous cations : comparison with the vanadium, barium and calcium-bound structural motif.
To be Published
344D
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BU of 344d by Molmil
DETERMINATION BY MAD-DM OF THE STRUCTURE OF THE DNA DUPLEX D(ACGTACG(5-BRU))2 AT 1.46A AND 100K
Descriptor: DNA (5'-D(*AP*CP*GP*TP*AP*CP*GP*(BRU))-3')
Authors:Todd, A.R, Adams, A, Powell, H.R, Cardin, C.J.
Deposit date:1997-08-04
Release date:1997-09-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Determination by MAD-DM of the structure of the DNA duplex d[ACGTACG(5-BrU)]2 at 1.46 A and 100 K.
Acta Crystallogr.,Sect.D, 55, 1999
2UWP
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BU of 2uwp by Molmil
Factor Xa inhibitor complex
Descriptor: 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, ...
Authors: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.
Deposit date:2007-03-22
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
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