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PDB: 75 件
2JI7
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X-ray structure of Oxalyl-CoA decarboxylase with covalent reaction intermediate
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, ADENOSINE-5'-DIPHOSPHATE, ...
著者Berthold, C.L, Toyota, C.G, Moussatche, P, Wood, M.D, Leeper, F, Richards, N.G.J, Lindqvist, Y.
登録日2007-02-26
公開日2007-07-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystallographic Snapshots of Oxalyl-Coa Decarboxylase Give Insights Into Catalysis by Nonoxidative Thdp-Dependent Decarboxylases
Structure, 15, 2007
2YKI
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Tricyclic series of Hsp90 inhibitors
分子名称: 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-27
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
2YK9
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Tricyclic series of Hsp90 inhibitors
分子名称: 4-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)FLUOREN-9-ONE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-26
公開日2011-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
2YKB
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Tricyclic series of Hsp90 inhibitors
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-SUCCINAMIDE
著者Dupuy, A, Vallee, F.
登録日2011-05-26
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
2YKC
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BU of 2ykc by Molmil
Tricyclic series of Hsp90 inhibitors
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL-ISONICOTINAMIDE
著者Dupuy, A, Vallee, F.
登録日2011-05-26
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
2YKJ
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Tricyclic series of Hsp90 inhibitors
分子名称: 2-AMINO-N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)--9H-FLUOREN-9-YL]-ISONICOTINAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-27
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
2YJW
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Tricyclic series of Hsp90 inhibitors
分子名称: 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-24
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
4KXY
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Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP
分子名称: 1,2-ETHANEDIOL, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate, CALCIUM ION, ...
著者Neumann, P, Luedtke, S, Erixon, K.M, Leeper, F, Kluger, R, Ficner, R, Tittmann, K.
登録日2013-05-28
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
2Q5J
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X-ray structure of phenylpyruvate decarboxylase in complex with 3-deaza-ThDP
分子名称: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, Phenylpyruvate decarboxylase
著者Versees, W, Spaepen, S, Wood, M.D, Leeper, F.J, Vanderleyden, J, Steyaert, J.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Molecular mechanism of allosteric substrate activation in a thiamine diphosphate-dependent decarboxylase.
J.Biol.Chem., 282, 2007
2Q5O
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X-ray structure of phenylpyruvate decarboxylase in complex with 3-deaza-ThDP and phenylpyruvate
分子名称: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, 3-PHENYLPYRUVIC ACID, GLYCEROL, ...
著者Versees, W, Spaepen, S, Wood, M.D, Leeper, F.J, Vanderleyden, J, Steyaert, J.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular mechanism of allosteric substrate activation in a thiamine diphosphate-dependent decarboxylase.
J.Biol.Chem., 282, 2007
2YKE
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Tricyclic series of Hsp90 inhibitors
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide
著者Dupuy, A, Vallee, F.
登録日2011-05-26
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
2YK2
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BU of 2yk2 by Molmil
Tricyclic series of Hsp90 inhibitors
分子名称: 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-25
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
2YJX
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BU of 2yjx by Molmil
Tricyclic series of Hsp90 inhibitors
分子名称: 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-24
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
1G6I
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Crystal structure of the yeast alpha-1,2-mannosidase with bound 1-deoxymannojirimycin at 1.59 A resolution
分子名称: 1-DEOXYMANNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Herscovics, A, Lipari, F, Sleno, B, Romera, P.A, Vallee, F, Yip, P, Howell, P.A.
登録日2000-11-06
公開日2003-06-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure and function of Class I a1,2-mannosidases involved in glycoprotein biosynthesis.
CARBOHYDRATE BIOENGINEERING. INTERDISCIPLINARY APPROACHES., 2002
2Q5L
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BU of 2q5l by Molmil
X-ray structure of phenylpyruvate decarboxylase in complex with 2-(1-hydroxyethyl)-3-deaza-ThDP
分子名称: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, ...
著者Versees, W, Spaepen, S, Wood, M.D, Leeper, F.J, Vanderleyden, J, Steyaert, J.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular mechanism of allosteric substrate activation in a thiamine diphosphate-dependent decarboxylase.
J.Biol.Chem., 282, 2007
2Q5Q
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X-ray structure of phenylpyruvate decarboxylase in complex with 3-deaza-ThDP and 5-phenyl-2-oxo-valeric acid
分子名称: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, 5-PHENYL-2-KETO-VALERIC ACID, GLYCEROL, ...
著者Versees, W, Spaepen, S, Wood, M.D, Leeper, F.J, Vanderleyden, J, Steyaert, J.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular mechanism of allosteric substrate activation in a thiamine diphosphate-dependent decarboxylase.
J.Biol.Chem., 282, 2007
2VBF
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The holostructure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis
分子名称: BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION, THIAMINE DIPHOSPHATE
著者Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G.
登録日2007-09-12
公開日2007-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Acta Crystallogr.,Sect.D, 63, 2007
2VBG
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The complex structure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis with 2R-1-hydroxyethyl-deazaThDP
分子名称: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION
著者Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G.
登録日2007-09-12
公開日2007-11-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Acta Crystallogr.,Sect.D, 63, 2007
1AUW
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H91N DELTA 2 CRYSTALLIN FROM DUCK
分子名称: DELTA 2 CRYSTALLIN
著者Abu-Abed, M, Vallee, F, Howell, P.L.
登録日1997-09-03
公開日1998-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural comparison of the enzymatically active and inactive forms of delta crystallin and the role of histidine 91.
Biochemistry, 36, 1997
3ZLW
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BU of 3zlw by Molmil
Crystal structure of MEK1 in complex with fragment 3
分子名称: (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 MAPK/ERK KINASE 1, MEK 1, ...
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-04
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
3ZLX
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Crystal structure of MEK1 in complex with fragment 18
分子名称: 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
著者Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A.
登録日2013-02-04
公開日2013-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
1I0A
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CRYSTAL STRUCTURE OF WILD TYPE TURKEY DELTA 1 CRYSTALLIN (EYE LENS PROTEIN)
分子名称: DELTA CRYSTALLIN I
著者Sampaleanu, L.M, Vallee, F, Slingsby, C, Howell, P.L.
登録日2001-01-29
公開日2001-04-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of duck delta 1 and delta 2 crystallin suggest conformational changes occur during catalysis.
Biochemistry, 40, 2001
1HY1
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CRYSTAL STRUCTURE OF WILD TYPE DUCK DELTA 2 CRYSTALLIN (EYE LENS PROTEIN)
分子名称: DELTA CRYSTALLIN II
著者Sampaleanu, L.M, Vallee, F, Slingsby, C, Howell, P.L.
登録日2001-01-17
公開日2001-04-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural studies of duck delta 1 and delta 2 crystallin suggest conformational changes occur during catalysis.
Biochemistry, 40, 2001
1HY0
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CRYSTAL STRUCTURE OF WILD TYPE DUCK DELTA 1 CRYSTALLIN (EYE LENS PROTEIN)
分子名称: DELTA CRYSTALLIN I, SULFATE ION
著者Sampaleanu, L.M, Vallee, F, Slingsby, C, Howell, P.L.
登録日2001-01-17
公開日2001-04-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of duck delta 1 and delta 2 crystallin suggest conformational changes occur during catalysis.
Biochemistry, 40, 2001
4CMH
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Crystal structure of CD38 with a novel CD38-targeting antibody SAR650984
分子名称: ADP-RIBOSYL CYCLASE 1, HEAVY CHAIN OF SAR650984-FAB FRAGMENT, LIGHT CHAIN OF SAR650984-FAB FRAGMENT
著者Deckert, J, Wetzel, M.C, Park, P.U, Bartle, L.M, Skaletskaya, A, Goldmacher, V, Vallee, F, ZhouLiu, Q, Ferrari, P, Pouzieux, S, Lahoute, C, Dumontet, C, Plesa, A, Chiron, M, Lejeune, P, Chittenden, T, Blanc, V.
登録日2014-01-15
公開日2014-07-16
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献SAR650984, a novel humanized CD38-targeting antibody, demonstrates potent antitumor activity in models of multiple myeloma and other CD38+ hematologic malignancies.
Clin. Cancer Res., 20, 2014
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