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1IYL
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BU of 1iyl by Molmil
Crystal Structure of Candida albicans N-myristoyltransferase with Non-peptidic Inhibitor
Descriptor: (1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-AMINO]-PROPOXY}-BENZOFURAN-2-YL)-METHANONE, Myristoyl-CoA:Protein N-Myristoyltransferase
Authors:Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
1IYK
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BU of 1iyk by Molmil
Crystal structure of candida albicans N-myristoyltransferase with myristoyl-COA and peptidic inhibitor
Descriptor: MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE, TETRADECANOYL-COA, [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE
Authors:Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
1IY8
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BU of 1iy8 by Molmil
Crystal Structure of Levodione Reductase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, LEVODIONE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sogabe, S, Fukami, T, Shiratori, Y, Yoshizumi, A, Wada, M.
Deposit date:2002-07-25
Release date:2003-05-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure and Stereospecificity of Levodione Reductase from Corynebacterium aquaticum M-13
J.BIOL.CHEM., 278, 2003
3WHA
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BU of 3wha by Molmil
Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor
Descriptor: 4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide, GLYCEROL, Heat shock protein HSP 90-alpha, ...
Authors:Fukami, T.A, Ono, N.
Deposit date:2013-08-23
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors
Bioorg.Med.Chem., 22, 2014
2ZIS
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BU of 2zis by Molmil
Crystal Structure of rat protein farnesyltransferase complexed with a bezoruran inhibitor and FPP
Descriptor: 3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile, ACETIC ACID, FARNESYL DIPHOSPHATE, ...
Authors:Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
2ZIR
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BU of 2zir by Molmil
Crystal Structure of rat protein farnesyltransferase complexed with a benzofuran inhibitor and FPP
Descriptor: 2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide, FARNESYL DIPHOSPHATE, GLYCEROL, ...
Authors:Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3B26
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BU of 3b26 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor Ro1127850
Descriptor: 4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B24
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BU of 3b24 by Molmil
Hsp90 alpha N-terminal domain in complex with an aminotriazine fragment molecule
Descriptor: 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B27
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BU of 3b27 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127
Descriptor: 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B25
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BU of 3b25 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194
Descriptor: 4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B28
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BU of 3b28 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765
Descriptor: 4-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, GLYCEROL, Heat shock protein HSP 90-alpha, ...
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3VHD
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BU of 3vhd by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840
Descriptor: 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VHA
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BU of 3vha by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VHC
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BU of 3vhc by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor
Descriptor: 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-08-24
Release date:2012-07-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012

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