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PDB: 258 件

7MSD
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Structure of EED bound to EEDi-6068
分子名称: (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED
著者Petrunak, E, Stuckey, J.
登録日2021-05-11
公開日2021-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
1YTS
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BU of 1yts by Molmil
A LIGAND-INDUCED CONFORMATIONAL CHANGE IN THE YERSINIA PROTEIN TYROSINE PHOSPHATASE
分子名称: SULFATE ION, YERSINIA PROTEIN TYROSINE PHOSPHATASE
著者Schubert, H.L, Stuckey, J.A, Fauman, E.B, Dixon, J.E, Saper, M.A.
登録日1995-04-07
公開日1995-07-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A ligand-induced conformational change in the Yersinia protein tyrosine phosphatase.
Protein Sci., 4, 1995
5K92
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Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide
分子名称: Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-05-31
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
8GBL
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BU of 8gbl by Molmil
Structure of Apo Human SIRT5
分子名称: NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2023-02-26
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice
Iscience, 27, 2024
8GBN
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Structure of Apo Human SIRT5 P114T Mutant
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2023-02-26
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice
Iscience, 27, 2024
4FKI
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BU of 4fki by Molmil
Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
分子名称: Cyclin-dependent kinase 2, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)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2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
To be Published
4FKT
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BU of 4fkt by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: Cyclin-dependent kinase 2, N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
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 (1.6 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FKQ
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BU of 4fkq by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide, 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2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FKG
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BU of 4fkg by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
分子名称: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid, 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 (1.51 Å)
主引用文献Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
4FKS
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BU of 4fks by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: Cyclin-dependent kinase 2, N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]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2013-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FKU
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BU of 4fku by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, 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2023-09-13
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FKV
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BU of 4fkv by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide, 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 (1.7 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4MGJ
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BU of 4mgj by Molmil
Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, Y, Zhang, H, Usharani, D, Bu, W, Im, S, Tarasev, M, Rwere, F, Meagher, J, Sun, C, Stuckey, J, Shaik, S, Waskell, L.
登録日2013-08-28
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Biochemistry, 53, 2014
2R8Y
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BU of 2r8y by Molmil
Crystal structure of YrbI phosphatase from Escherichia coli in a complex with Ca
分子名称: CALCIUM ION, CHLORIDE ION, YrbI from Escherichia coli
著者Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T.
登録日2007-09-11
公開日2008-09-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
2R8E
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BU of 2r8e by Molmil
Crystal structure of YrbI from Escherichia coli in complex with Mg
分子名称: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION, MAGNESIUM ION
著者Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R, Biswas, T.
登録日2007-09-10
公開日2008-09-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
3LQE
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BU of 3lqe by Molmil
X-Ray Structure of the Murine Norovirus (MNV)-1 Capsid Protein Protruding (P) Domain
分子名称: Capsid protein
著者Rubin, J.R, Stuckey, J.A.
登録日2010-02-09
公開日2010-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution x-ray structure and functional analysis of the murine norovirus 1 capsid protein protruding domain.
J.Virol., 84, 2010
5KB2
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BU of 5kb2 by Molmil
Crystal Structure of a Tris-thiolate Zn(II)S3O Complex in a de Novo Three-stranded Coiled Coil Peptide
分子名称: ZINC ION, Zn(II)(H2O)(GRAND Coil Ser-L12AL16C)3-
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-06-02
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
5KB1
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BU of 5kb1 by Molmil
Crystal Structure of a Tris-thiolate Hg(II) Complex in a de Novo Three Stranded Coiled Coil Peptide
分子名称: CHLORIDE ION, Hg(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, MERCURY (II) ION, ...
著者Ruckcthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-06-02
公開日2016-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
2BN0
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BU of 2bn0 by Molmil
Banana Lectin bound to Laminaribiose
分子名称: CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION, ...
著者Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A.
登録日2005-03-17
公開日2005-06-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site.
Glycobiology, 15, 2005
5KB0
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Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide
分子名称: CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ...
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-06-02
公開日2016-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
2BMZ
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BU of 2bmz by Molmil
Banana Lectin bound to Xyl-b1,3 Man-a-O-Methyl (XM)
分子名称: CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION, ...
著者Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A.
登録日2005-03-17
公開日2005-06-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site.
Glycobiology, 15, 2005
2BMY
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BU of 2bmy by Molmil
Banana Lectin
分子名称: CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION
著者Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A.
登録日2005-03-17
公開日2005-06-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site.
Glycobiology, 15, 2005
7N2Z
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Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) complexes in the dual Tris-thiolate Site
分子名称: CHLORIDE ION, LEAD (II) ION, Pb(II)2-(GRAND CoilSerL16CL23C)3, ...
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2021-05-30
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead.
J.Am.Chem.Soc., 143, 2021
7N2Y
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Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing a dual Tris-thiolate Binding Site for Heavy Metal Complexes
分子名称: Apo-(GRAND CoilSerL16CL23C)3, ZINC ION
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2021-05-30
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead.
J.Am.Chem.Soc., 143, 2021
6NUQ
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Stat3 Core in complex with compound SI109
分子名称: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
著者Meagher, J.L, Stuckey, J.A.
登録日2019-02-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019

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件を2024-06-12に公開中

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