4APP
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![BU of 4app by Molmil](/molmil-images/mine/4app) | 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 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2012-04-04 | Release date: | 2012-06-06 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors. J.Med.Chem., 55, 2012
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6QYC
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4CKK
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![BU of 4ckk by Molmil](/molmil-images/mine/4ckk) | Apo structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit | Descriptor: | DNA GYRASE SUBUNIT A | Authors: | Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. | Deposit date: | 2014-01-07 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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4CKL
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![BU of 4ckl by Molmil](/molmil-images/mine/4ckl) | Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocyclinone D8 bound | Descriptor: | DNA GYRASE SUBUNIT A, SIMOCYCLINONE D8 | Authors: | Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. | Deposit date: | 2014-01-07 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 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
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6T3C
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![BU of 6t3c by Molmil](/molmil-images/mine/6t3c) | Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2019-10-10 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | 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
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6T3B
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![BU of 6t3b by Molmil](/molmil-images/mine/6t3b) | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4) | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2019-10-10 | Release date: | 2020-01-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | 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
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6T2W
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![BU of 6t2w by Molmil](/molmil-images/mine/6t2w) | Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | Authors: | 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. | Deposit date: | 2019-10-09 | Release date: | 2020-01-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
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3PMQ
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6BVZ
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![BU of 6bvz by Molmil](/molmil-images/mine/6bvz) | Importin alpha 3 in cargo free state | Descriptor: | Importin subunit alpha-3 | Authors: | Smith, K.M, Tsimbalyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BWA
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![BU of 6bwa by Molmil](/molmil-images/mine/6bwa) | Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 2 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BVT
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![BU of 6bvt by Molmil](/molmil-images/mine/6bvt) | Importin alpha 1 in cargo free state | Descriptor: | Importin subunit alpha-1 | Authors: | Smith, K.M, Tsimablyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-13 | Release date: | 2018-07-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BW9
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![BU of 6bw9 by Molmil](/molmil-images/mine/6bw9) | Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 1 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BW0
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![BU of 6bw0 by Molmil](/molmil-images/mine/6bw0) | Nipah virus W protein C-terminus in complex with Importin alpha 1 | Descriptor: | Importin subunit alpha-1, Protein W | Authors: | Smith, K.M, Tsimbalyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BWB
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![BU of 6bwb by Molmil](/molmil-images/mine/6bwb) | Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 3 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BW1
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![BU of 6bw1 by Molmil](/molmil-images/mine/6bw1) | Hendra virus W protein C-terminus in complex with Importin alpha 1 | Descriptor: | Importin subunit alpha-1, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BVV
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![BU of 6bvv by Molmil](/molmil-images/mine/6bvv) | Nipah virus W protein C-terminus in complex with Importin alpha 3 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Smith, K.M, Tsimbalyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-13 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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2IVY
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![BU of 2ivy by Molmil](/molmil-images/mine/2ivy) | Crystal structure of hypothetical protein sso1404 from Sulfolobus solfataricus P2 | Descriptor: | HYPOTHETICAL PROTEIN SSO1404 | Authors: | Yan, X, Carter, L.G, Dorward, M, Liu, H, McMahon, S.A, Oke, M, Powers, H, White, M.F, Naismith, J.H. | Deposit date: | 2006-06-22 | Release date: | 2006-06-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2JG5
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![BU of 2jg5 by Molmil](/molmil-images/mine/2jg5) | CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOFRUCTOKINASE FROM STAPHYLOCOCCUS AUREUS | Descriptor: | FRUCTOSE 1-PHOSPHATE KINASE | Authors: | 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. | Deposit date: | 2007-02-08 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2JG6
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![BU of 2jg6 by Molmil](/molmil-images/mine/2jg6) | CRYSTAL STRUCTURE OF A 3-METHYLADENINE DNA GLYCOSYLASE I FROM STAPHYLOCOCCUS AUREUS | Descriptor: | DNA-3-METHYLADENINE GLYCOSIDASE, ZINC ION | Authors: | Yan, X, Carter, L.G, Liu, H, Dorward, M, McMahon, S.A, Johnson, K.A, Oke, M, Coote, P.J, Naismith, J.H. | Deposit date: | 2007-02-08 | Release date: | 2007-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2JGT
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![BU of 2jgt by Molmil](/molmil-images/mine/2jgt) | Low resolution structure of SPT | Descriptor: | SERINE PALMITOYLTRANSFERASE | Authors: | 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. | Deposit date: | 2007-02-14 | Release date: | 2007-05-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis. J.Mol.Biol., 370, 2007
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2K8V
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![BU of 2k8v by Molmil](/molmil-images/mine/2k8v) | Solution structure of Oxidised ERp18 | Descriptor: | Thioredoxin domain-containing protein 12 | Authors: | Rowe, M.L, Alanen, H.I, Ruddock, L.W, Kelly, G, Schmidt, J.M, Williamson, R.A, Howard, M.J. | Deposit date: | 2008-09-25 | Release date: | 2009-06-02 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of ERp18, a small endoplasmic reticulum resident oxidoreductase . Biochemistry, 48, 2009
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2JG2
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![BU of 2jg2 by Molmil](/molmil-images/mine/2jg2) | HIGH RESOLUTION STRUCTURE OF SPT WITH PLP INTERNAL ALDIMINE | Descriptor: | MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE | Authors: | 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. | Deposit date: | 2007-02-07 | Release date: | 2007-05-01 | Last modified: | 2015-11-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis. J.Mol.Biol., 370, 2007
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2N4I
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![BU of 2n4i by Molmil](/molmil-images/mine/2n4i) | The solution structure of Skint-1, a critical determinant of dendritic epidermal gamma-delta T cell selection | Descriptor: | Selection and upkeep of intraepithelial T-cells protein 1 | Authors: | Salim, M, Knowles, T.J, Hart, R, Mohammed, F, Woodward, M.J, Willcox, C.R, Overduin, M, Hayday, A.C, Willcox, B.E. | Deposit date: | 2015-06-18 | Release date: | 2016-03-02 | Last modified: | 2016-05-11 | Method: | SOLUTION NMR | Cite: | Characterization of a Putative Receptor Binding Surface on Skint-1, a Critical Determinant of Dendritic Epidermal T Cell Selection. J.Biol.Chem., 291, 2016
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2L4C
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![BU of 2l4c by Molmil](/molmil-images/mine/2l4c) | Solution Structure of the b domain of Human ERp27 | Descriptor: | Endoplasmic reticulum resident protein 27 | Authors: | Amin, N.T, Wallis, K, Rowe, M.L, Kelly, G, Frenkiel, T.A, Williamson, R.A, Howard, M.J, Freedman, R.B. | Deposit date: | 2010-10-03 | Release date: | 2010-11-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of the b domain of human ERp27 To be Published
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2ANT
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![BU of 2ant by Molmil](/molmil-images/mine/2ant) | THE 2.6 A STRUCTURE OF ANTITHROMBIN INDICATES A CONFORMATIONAL CHANGE AT THE HEPARIN BINDING SITE | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose, ANTITHROMBIN | Authors: | Skinner, R, Abrahams, J.-P, Whisstock, J.C, Lesk, A.M, Carrell, R.W, Wardell, M.R. | Deposit date: | 1997-01-28 | Release date: | 1997-06-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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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