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4G6O
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BU of 4g6o by Molmil
Crystal Structure of the ERK2
分子名称: 1,2-ETHANEDIOL, 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-07-19
公開日2012-09-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the ERK2 complexed with E28
to be published
4FSU
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BU of 4fsu by Molmil
Crystal Structure of the CHK1
分子名称: 4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FT5
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BU of 4ft5 by Molmil
Crystal Structure of the CHK1
分子名称: 1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea, GLYCEROL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTO
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BU of 4fto by Molmil
Crystal Structure of the CHK1
分子名称: 4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FUG
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BU of 4fug by Molmil
Crystal Structure of the Urokinase
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FUY
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BU of 4fuy by Molmil
Crystal Structure of the ERK2 complexed with EK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-28
公開日2012-08-22
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK2
TO BE PUBLISHED
4FV9
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BU of 4fv9 by Molmil
Crystal Structure of the ERK2 complexed with E71
分子名称: 1,2-ETHANEDIOL, 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structure of the ERK2 complexed with E71
TO BE PUBLISHED
4G6N
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BU of 4g6n by Molmil
Crystal Structure of the ERK2
分子名称: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-07-19
公開日2012-09-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK0
to be published
4FU7
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BU of 4fu7 by Molmil
Crystal Structure of the Urokinase
分子名称: 2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide, ACETATE ION, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FUE
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BU of 4fue by Molmil
Crystal Structure of the Urokinase
分子名称: 6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FV1
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BU of 4fv1 by Molmil
Crystal Structure of the ERK2 complexed with EK4
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-28
公開日2012-08-22
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK4
TO BE PUBLISHED
4FW3
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BU of 4fw3 by Molmil
Crystal Structure of the LpxC in complex with N-[(2S)-3-AMINO-1-(HYDROXYAMINO)-1-OXOPROPAN-2-YL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor
分子名称: GLYCEROL, N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-29
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structure of the LpxC
to be published
4FSY
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BU of 4fsy by Molmil
Crystal Structure of the CHK1
分子名称: 2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FUH
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BU of 4fuh by Molmil
Crystal Structure of the Urokinase
分子名称: 6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FV4
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BU of 4fv4 by Molmil
Crystal Structure of the ERK2 complexed with EK7
分子名称: 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK7
TO BE PUBLISHED
4FW6
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BU of 4fw6 by Molmil
Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]-4-(PHENYLETHYNYL)BENZAMIDE inhibitor
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-29
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of the LpxC
to be published
4FKP
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BU of 4fkp by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cyclin-dependent kinase 2, SODIUM ION
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FKO
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BU of 4fko by Molmil
Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
分子名称: 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine, ACETATE ION, Cyclin-dependent kinase 2
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
To be Published
4FKJ
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BU of 4fkj by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
分子名称: ACETATE ION, Cyclin-dependent kinase 2, N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
4FKW
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BU of 4fkw by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: 2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate, Cyclin-dependent kinase 2, GLYCEROL
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
6E1A
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BU of 6e1a by Molmil
Menin bound to M-89
分子名称: (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate
著者Stuckey, J.A.
登録日2018-07-09
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6WNH
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BU of 6wnh by Molmil
Menin bound to inhibitor M-808
分子名称: Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate
著者Stuckey, J.A.
登録日2020-04-22
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.
J.Med.Chem., 63, 2020
6B41
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BU of 6b41 by Molmil
Menin bound to M-525
分子名称: Menin, methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate, praseodymium triacetate
著者Stuckey, J.A.
登録日2017-09-25
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction.
Angew. Chem. Int. Ed. Engl., 57, 2018
8SX4
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BU of 8sx4 by Molmil
Crystal Structure of eIF4e in complex with Compound 7n
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E, [(~{Z})-4-[2-azanyl-7-[(5-chloranyl-1~{H}-indol-2-yl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]but-2-enyl]phosphonic acid
著者Meagher, J.L, Stuckey, J.A.
登録日2023-05-19
公開日2023-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Design of Cell-Permeable Inhibitors of Eukaryotic Translation Initiation Factor 4E (eIF4E) for Inhibiting Aberrant Cap-Dependent Translation in Cancer.
J.Med.Chem., 66, 2023
1YTN
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BU of 1ytn by Molmil
HYDROLASE
分子名称: NITRATE ION, YERSINIA PROTEIN TYROSINE PHOSPHATASE
著者Yuvaniyama, C, Fauman, E.B, Saper, M.A.
登録日1996-05-01
公開日1996-11-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The X-ray crystal structures of Yersinia tyrosine phosphatase with bound tungstate and nitrate. Mechanistic implications.
J.Biol.Chem., 271, 1996

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