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4YBK
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BU of 4ybk by Molmil
C-Helix-Out Dasatinib Analog Crystallized with c-Src Kinase
Descriptor: 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
Deposit date:2015-02-18
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
4YKQ
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BU of 4ykq by Molmil
Heat Shock Protein 90 Bound to CS301
Descriptor: 1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2015-03-04
Release date:2016-03-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of Heat Shock Protein 90 Bound to CS301
To Be Published
4YQ0
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BU of 4yq0 by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: 4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To be published
4YQI
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BU of 4yqi by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQS
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BU of 4yqs by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: (5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YKZ
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BU of 4ykz by Molmil
Heat Shock Protein 90 Bound to CS320
Descriptor: (2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone, Heat shock protein HSP 90-alpha
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2015-03-04
Release date:2016-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Heat Shock Protein 90 Bound to CS320
To Be Published
4YKT
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BU of 4ykt by Molmil
Heat Shock Protein 90 Bound to CS307
Descriptor: 1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2015-03-04
Release date:2016-03-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Heat Shock Protein 90 Bound to CS307
To Be Published
4YQK
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BU of 4yqk by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YKU
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BU of 4yku by Molmil
Heat Shock Protein 90 Bound to CS311
Descriptor: 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine, Heat shock protein HSP 90-alpha
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2015-03-04
Release date:2016-03-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Heat Shock Protein 90 Bound to CS311
To Be Published
4Z93
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BU of 4z93 by Molmil
BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18.
Descriptor: 1,2-ETHANEDIOL, 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole, Bromodomain-containing protein 4
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2015-04-09
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structure-Based Design of gamma-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
4YKY
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BU of 4yky by Molmil
Heat Shock Protein 90 Bound to CS319
Descriptor: (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2015-03-04
Release date:2016-03-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of Heat Shock Protein 90 Bound to CS319
To Be Published
4YC8
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BU of 4yc8 by Molmil
C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, ...
Authors:Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
Deposit date:2015-02-19
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
4YKR
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BU of 4ykr by Molmil
Heat Shock Protein 90 Bound to CS302
Descriptor: 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2015-03-04
Release date:2016-03-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structure of Heat Shock Protein 90 Bound to CS302
To Be Published
4YPX
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BU of 4ypx by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: 6-aminopyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4FSZ
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BU of 4fsz by Molmil
Crystal Structure of the CHK1
Descriptor: (3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2014-10-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTA
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BU of 4fta by Molmil
Crystal Structure of the CHK1
Descriptor: 6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTM
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BU of 4ftm by Molmil
Crystal Structure of the CHK1
Descriptor: 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FU9
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BU of 4fu9 by Molmil
Crystal Structure of the Urokinase
Descriptor: 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Urokinase
To be Published
4FV0
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BU of 4fv0 by Molmil
Crystal Structure of the ERK2 complexed with EK3
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the ERK2 complexed with EK3
TO BE PUBLISHED
4FST
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BU of 4fst by Molmil
Crystal Structure of the CHK1
Descriptor: 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FUF
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BU of 4fuf by Molmil
Crystal Structure of the Urokinase
Descriptor: 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Urokinase
to be published
4FW4
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BU of 4fw4 by Molmil
Crystal Structure of the LpxC in complex with N-[(1S,2R)-2-HYDROXY-1-(HYDROXYCARBAMOYL)PROPYL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor
Descriptor: ACETATE ION, GLYCEROL, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of the LpxC
to be published
4FX3
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BU of 4fx3 by Molmil
Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
Descriptor: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cyclin-A2, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-07-02
Release date:2013-05-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
To be Published
4G4L
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BU of 4g4l by Molmil
Crystal structure of the de novo designed peptide alpha4tbA6
Descriptor: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2012-07-16
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
4FSW
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BU of 4fsw by Molmil
Crystal Structure of the CHK1
Descriptor: 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published

221716

數據於2024-06-26公開中

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