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PDB: 66 件

4APP
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BU of 4app by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide
分子名称: GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4
著者Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W.
登録日2012-04-04
公開日2012-06-06
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
6QYC
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Crystal structure of MtrC from Shewanella baltica OS185
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Decaheme c-type cytochrome, ...
著者Clarke, T.A, Edwards, M.J.
登録日2019-03-08
公開日2020-04-22
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The Crystal Structure of a Biological Insulated Transmembrane Molecular Wire.
Cell, 181, 2020
4CKK
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Apo structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit
分子名称: DNA GYRASE SUBUNIT A
著者Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A.
登録日2014-01-07
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition.
J.Mol.Biol., 426, 2014
4CKL
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Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocyclinone D8 bound
分子名称: DNA GYRASE SUBUNIT A, SIMOCYCLINONE D8
著者Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A.
登録日2014-01-07
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition.
J.Mol.Biol., 426, 2014
6T3C
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BU of 6t3c by Molmil
Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648
分子名称: 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E.
登録日2019-10-10
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
6T3B
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Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4)
分子名称: 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E.
登録日2019-10-10
公開日2020-01-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
6T2W
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Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4)
分子名称: 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION
著者Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E.
登録日2019-10-09
公開日2020-01-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
3PMQ
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BU of 3pmq by Molmil
Crystal structure of the outer membrane decaheme cytochrome MtrF
分子名称: CALCIUM ION, Decaheme cytochrome c MtrF, HEME C
著者Clarke, T.A, Edwards, M.J, Richardson, D.J.
登録日2010-11-17
公開日2011-05-25
最終更新日2023-05-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of a bacterial cell surface decaheme electron conduit.
Proc.Natl.Acad.Sci.USA, 108, 2011
6BVZ
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BU of 6bvz by Molmil
Importin alpha 3 in cargo free state
分子名称: Importin subunit alpha-3
著者Smith, K.M, Tsimbalyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
登録日2017-12-14
公開日2018-07-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6BWA
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BU of 6bwa by Molmil
Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 2
分子名称: Importin subunit alpha-3, Protein W
著者Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
登録日2017-12-14
公開日2018-07-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6BVT
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BU of 6bvt by Molmil
Importin alpha 1 in cargo free state
分子名称: Importin subunit alpha-1
著者Smith, K.M, Tsimablyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
登録日2017-12-13
公開日2018-07-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6BW9
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BU of 6bw9 by Molmil
Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 1
分子名称: Importin subunit alpha-3, Protein W
著者Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
登録日2017-12-14
公開日2018-07-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6BW0
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BU of 6bw0 by Molmil
Nipah virus W protein C-terminus in complex with Importin alpha 1
分子名称: Importin subunit alpha-1, Protein W
著者Smith, K.M, Tsimbalyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
登録日2017-12-14
公開日2018-07-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6BWB
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BU of 6bwb by Molmil
Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 3
分子名称: Importin subunit alpha-3, Protein W
著者Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
登録日2017-12-14
公開日2018-07-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6BW1
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BU of 6bw1 by Molmil
Hendra virus W protein C-terminus in complex with Importin alpha 1
分子名称: Importin subunit alpha-1, Protein W
著者Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
登録日2017-12-14
公開日2018-07-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
6BVV
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BU of 6bvv by Molmil
Nipah virus W protein C-terminus in complex with Importin alpha 3
分子名称: Importin subunit alpha-3, Protein W
著者Smith, K.M, Tsimbalyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
登録日2017-12-13
公開日2018-07-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
2IVY
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BU of 2ivy by Molmil
Crystal structure of hypothetical protein sso1404 from Sulfolobus solfataricus P2
分子名称: HYPOTHETICAL PROTEIN SSO1404
著者Yan, X, Carter, L.G, Dorward, M, Liu, H, McMahon, S.A, Oke, M, Powers, H, White, M.F, Naismith, J.H.
登録日2006-06-22
公開日2006-06-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2JG5
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BU of 2jg5 by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOFRUCTOKINASE FROM STAPHYLOCOCCUS AUREUS
分子名称: FRUCTOSE 1-PHOSPHATE KINASE
著者Yan, X, Carter, L.G, Johnson, K.A, Liu, H, Dorward, M, McMahon, S.A, Oke, M, Powers, H, Coote, P.J, Naismith, J.H.
登録日2007-02-08
公開日2007-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2JG6
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BU of 2jg6 by Molmil
CRYSTAL STRUCTURE OF A 3-METHYLADENINE DNA GLYCOSYLASE I FROM STAPHYLOCOCCUS AUREUS
分子名称: DNA-3-METHYLADENINE GLYCOSIDASE, ZINC ION
著者Yan, X, Carter, L.G, Liu, H, Dorward, M, McMahon, S.A, Johnson, K.A, Oke, M, Coote, P.J, Naismith, J.H.
登録日2007-02-08
公開日2007-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2JGT
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BU of 2jgt by Molmil
Low resolution structure of SPT
分子名称: SERINE PALMITOYLTRANSFERASE
著者Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J.
登録日2007-02-14
公開日2007-05-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis.
J.Mol.Biol., 370, 2007
2K8V
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BU of 2k8v by Molmil
Solution structure of Oxidised ERp18
分子名称: Thioredoxin domain-containing protein 12
著者Rowe, M.L, Alanen, H.I, Ruddock, L.W, Kelly, G, Schmidt, J.M, Williamson, R.A, Howard, M.J.
登録日2008-09-25
公開日2009-06-02
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of ERp18, a small endoplasmic reticulum resident oxidoreductase .
Biochemistry, 48, 2009
2JG2
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BU of 2jg2 by Molmil
HIGH RESOLUTION STRUCTURE OF SPT WITH PLP INTERNAL ALDIMINE
分子名称: MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE
著者Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J.
登録日2007-02-07
公開日2007-05-01
最終更新日2015-11-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis.
J.Mol.Biol., 370, 2007
2N4I
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BU of 2n4i by Molmil
The solution structure of Skint-1, a critical determinant of dendritic epidermal gamma-delta T cell selection
分子名称: Selection and upkeep of intraepithelial T-cells protein 1
著者Salim, M, Knowles, T.J, Hart, R, Mohammed, F, Woodward, M.J, Willcox, C.R, Overduin, M, Hayday, A.C, Willcox, B.E.
登録日2015-06-18
公開日2016-03-02
最終更新日2016-05-11
実験手法SOLUTION NMR
主引用文献Characterization of a Putative Receptor Binding Surface on Skint-1, a Critical Determinant of Dendritic Epidermal T Cell Selection.
J.Biol.Chem., 291, 2016
2L4C
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BU of 2l4c by Molmil
Solution Structure of the b domain of Human ERp27
分子名称: Endoplasmic reticulum resident protein 27
著者Amin, N.T, Wallis, K, Rowe, M.L, Kelly, G, Frenkiel, T.A, Williamson, R.A, Howard, M.J, Freedman, R.B.
登録日2010-10-03
公開日2010-11-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of the b domain of human ERp27
To be Published
2ANT
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BU of 2ant by Molmil
THE 2.6 A STRUCTURE OF ANTITHROMBIN INDICATES A CONFORMATIONAL CHANGE AT THE HEPARIN BINDING SITE
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose, ANTITHROMBIN
著者Skinner, R, Abrahams, J.-P, Whisstock, J.C, Lesk, A.M, Carrell, R.W, Wardell, M.R.
登録日1997-01-28
公開日1997-06-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The 2.6 A structure of antithrombin indicates a conformational change at the heparin binding site.
J.Mol.Biol., 266, 1997

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