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7BF2
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BU of 7bf2 by Molmil
Ca2+-Calmodulin in complex with human muscle form creatine kinase peptide in extended 1:2 binding mode
分子名称: CALCIUM ION, Calmodulin-1, Creatine kinase M-type
著者Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S.
登録日2020-12-31
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Calmodulin complexes with brain and muscle creatine kinase peptides.
Curr Res Struct Biol, 3, 2021
2AKA
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BU of 2aka by Molmil
Structure of the nucleotide-free myosin II motor domain from Dictyostelium discoideum fused to the GTPase domain of dynamin 1 from Rattus norvegicus
分子名称: Dynamin-1, LINKER, myosin II heavy chain
著者Reubold, T.F, Eschenburg, S, Becker, A, Leonard, M, Schmid, S.L, Vallee, R.B, Kull, F.J, Manstein, D.J.
登録日2005-08-03
公開日2005-08-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the GTPase domain of rat dynamin 1.
Proc.Natl.Acad.Sci.Usa, 102, 2005
4Y64
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BU of 4y64 by Molmil
AAGlyB in complex with amino-acid analogues
分子名称: 5'-(D-alanylamino)-5'-deoxyuridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
著者Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
登録日2015-02-12
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
4Y63
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BU of 4y63 by Molmil
AAGlyB in complex with amino-acid analogues
分子名称: 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
登録日2015-02-12
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
4Y62
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BU of 4y62 by Molmil
AAGlyB in complex with amino-acid analogues
分子名称: 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
著者Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
登録日2015-02-12
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
1X8T
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EPSPS liganded with the (R)-phosphonate analog of the tetrahedral reaction intermediate
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
著者Priestman, M.A, Healy, M.L, Becker, A, Alberg, D.G, Bartlett, P.A, Schonbrunn, E.
登録日2004-08-18
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interaction of phosphonate analogues of the tetrahedral reaction intermediate with 5-enolpyruvylshikimate-3-phosphate synthase in atomic detail.
Biochemistry, 44, 2005
1X8R
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BU of 1x8r by Molmil
EPSPS liganded with the (S)-phosphonate analog of the tetrahedral reaction intermediate
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, [3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
著者Priestman, M.A, Healy, M.L, Becker, A, Alberg, D.G, Bartlett, P.A, Schonbrunn, E.
登録日2004-08-18
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interaction of phosphonate analogues of the tetrahedral reaction intermediate with 5-enolpyruvylshikimate-3-phosphate synthase in atomic detail.
Biochemistry, 44, 2005
2AA9
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EPSP synthase liganded with shikimate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID
著者Priestman, M.A, Healy, M.L, Funke, T, Becker, A, Schonbrunn, E.
登録日2005-07-13
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular basis for the glyphosate-insensitivity of the reaction of 5-enolpyruvylshikimate 3-phosphate synthase with shikimate.
Febs Lett., 579, 2005
2AAY
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BU of 2aay by Molmil
EPSP synthase liganded with shikimate and glyphosate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, ...
著者Priestman, M.A, Healy, M.L, Funke, T, Becker, A.
登録日2005-07-14
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular basis for the glyphosate-insensitivity of the reaction of 5-enolpyruvylshikimate 3-phosphate synthase with shikimate.
Febs Lett., 579, 2005
1QH4
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BU of 1qh4 by Molmil
CRYSTAL STRUCTURE OF CHICKEN BRAIN-TYPE CREATINE KINASE AT 1.41 ANGSTROM RESOLUTION
分子名称: ACETATE ION, CALCIUM ION, CREATINE KINASE
著者Eder, M, Schlattner, U, Becker, A, Wallimann, T, Kabsch, W, Fritz-Wolf, K.
登録日1999-05-11
公開日1999-11-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal structure of brain-type creatine kinase at 1.41 A resolution.
Protein Sci., 8, 1999
3QTX
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BU of 3qtx by Molmil
CDK2 in complex with inhibitor RC-2-35
分子名称: 4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QXP
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CDK2 in complex with inhibitor RC-3-89
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-02
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R9H
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BU of 3r9h by Molmil
CDK2 in complex with inhibitor RC-2-142
分子名称: 4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-25
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QTQ
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CDK2 in complex with inhibitor RC-1-137
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QTW
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CDK2 in complex with inhibitor RC-2-13
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QTR
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CDK2 in complex with inhibitor RC-1-148
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QU0
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CDK2 in complex with inhibitor RC-2-38
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QTS
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CDK2 in complex with inhibitor RC-2-12
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RPV
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CDK2 in complex with inhibitor RC-2-88
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-27
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R9D
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CDK2 in complex with inhibitor RC-2-135
分子名称: 4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-25
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RNI
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CDK2 in complex with inhibitor RC-3-86
分子名称: 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-22
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RAL
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CDK2 in complex with inhibitor RC-2-34
分子名称: 4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-28
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RPR
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CDK2 in complex with inhibitor RC-2-49
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-27
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RPY
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CDK2 in complex with inhibitor RC-2-40
分子名称: 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-27
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3QQK
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CDK2 in complex with inhibitor L4
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-15
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013

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