5LB4
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![BU of 5lb4 by Molmil](/molmil-images/mine/5lb4) | Apo-structure of humanised RadA-mutant humRadA14 | Descriptor: | DNA repair and recombination protein RadA | Authors: | Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2016-06-15 | Release date: | 2016-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5LBI
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![BU of 5lbi by Molmil](/molmil-images/mine/5lbi) | Apo-structure of humanised RadA-mutant humRadA3 | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA | Authors: | Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2016-06-16 | Release date: | 2016-10-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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6NVR
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![BU of 6nvr by Molmil](/molmil-images/mine/6nvr) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in Apo form | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V.M, Blundell, T.L. | Deposit date: | 2019-02-05 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.562 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6NW7
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![BU of 6nw7 by Molmil](/molmil-images/mine/6nw7) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with S-Adenosyl-L-homocysteine | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-06 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.481 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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5LB2
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![BU of 5lb2 by Molmil](/molmil-images/mine/5lb2) | Apo-structure of humanised RadA-mutant humRadA2 | Descriptor: | DNA repair and recombination protein RadA | Authors: | Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2016-06-15 | Release date: | 2016-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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6NW6
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![BU of 6nw6 by Molmil](/molmil-images/mine/6nw6) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with S-Adenosyl methionine | Descriptor: | S-ADENOSYLMETHIONINE, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-06 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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8C1E
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![BU of 8c1e by Molmil](/molmil-images/mine/8c1e) | Aurora A kinase in complex with TPX2-inhibitor 9 | Descriptor: | 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
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4APE
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![BU of 4ape by Molmil](/molmil-images/mine/4ape) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | ENDOTHIAPEPSIN | Authors: | Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L. | Deposit date: | 1986-06-09 | Release date: | 1986-07-14 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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7ZYG
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![BU of 7zyg by Molmil](/molmil-images/mine/7zyg) | CryoEM structure of Ku heterodimer bound to DNA, PAXX and XLF | Descriptor: | DNA, Non-homologous end-joining factor 1, PHOSPHATE ION, ... | Authors: | Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K. | Deposit date: | 2022-05-24 | Release date: | 2023-06-07 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF. Sci Adv, 9, 2023
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2JXR
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![BU of 2jxr by Molmil](/molmil-images/mine/2jxr) | STRUCTURE OF YEAST PROTEINASE A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide, PROTEINASE A, ... | Authors: | Aguilar, C.F, Badasso, M, Dreyer, T, Cronin, N.B, Newman, M.P, Cooper, J.B, Hoover, D.J, Wood, S.P, Johnson, M.S, Blundell, T.L. | Deposit date: | 1997-04-24 | Release date: | 1997-10-29 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The three-dimensional structure at 2.4 A resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cerevisiae. J.Mol.Biol., 267, 1997
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1SMR
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![BU of 1smr by Molmil](/molmil-images/mine/1smr) | |
2HE0
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![BU of 2he0 by Molmil](/molmil-images/mine/2he0) | Crystal structure of a human Notch1 ankyrin domain mutant | Descriptor: | 1,2-ETHANEDIOL, Notch1 preproprotein variant | Authors: | Gupta, D, Ehebauer, M.T, Chirgadze, D.Y, Martinez Arias, A, Blundell, T.L. | Deposit date: | 2006-06-21 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a human Notch1 ankyrin domain mutant TO BE PUBLISHED
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1ER8
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![BU of 1er8 by Molmil](/molmil-images/mine/1er8) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | Endothiapepsin, H-77 | Authors: | Hemmings, A.M, Veerapandian, B, Szelke, M, Cooper, J.B, Blundell, T.L. | Deposit date: | 1989-10-16 | Release date: | 1991-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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4FZJ
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![BU of 4fzj by Molmil](/molmil-images/mine/4fzj) | Pantothenate synthetase in complex with 1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, ETHANOL, ... | Authors: | Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A. | Deposit date: | 2012-07-06 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
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6VS5
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![BU of 6vs5 by Molmil](/molmil-images/mine/6vs5) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) | Descriptor: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B. | Deposit date: | 2020-02-10 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.758 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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1SGF
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![BU of 1sgf by Molmil](/molmil-images/mine/1sgf) | CRYSTAL STRUCTURE OF 7S NGF: A COMPLEX OF NERVE GROWTH FACTOR WITH FOUR BINDING PROTEINS (SERINE PROTEINASES) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NERVE GROWTH FACTOR, ... | Authors: | Bax, B.D.V, Blundell, T.L, Murray-Rust, J, Mcdonald, N.Q. | Deposit date: | 1997-08-08 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure of mouse 7S NGF: a complex of nerve growth factor with four binding proteins. Structure, 5, 1997
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3MKP
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![BU of 3mkp by Molmil](/molmil-images/mine/3mkp) | Crystal structure of 1K1 mutant of Hepatocyte Growth Factor/Scatter Factor fragment NK1 in complex with heparin | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Gherardi, E, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2010-04-15 | Release date: | 2010-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Engineering a fragment of Hepatocyte Growth Factor/Scatter Factor for tissue and organ regeneration To be Published
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3E4R
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![BU of 3e4r by Molmil](/molmil-images/mine/3e4r) | Crystal structure of the alkanesulfonate binding protein (SsuA) from the phytopathogenic bacteria Xanthomonas axonopodis pv. citri bound to HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nitrate transport protein | Authors: | Balan, A, Araujo, F.T, Sanches, M, Chirgadze, D.Y, Blundell, T.B, Barbosa, J.A.R.G. | Deposit date: | 2008-08-12 | Release date: | 2008-09-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of the alkanesulfonate binding protein (SsuA) from the phytopathogenic bacteria Xanthomonas axonopodis pv. citri bound to HEPES To be Published
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5JEC
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![BU of 5jec by Molmil](/molmil-images/mine/5jec) | Apo-structure of humanised RadA-mutant humRadA33F | Descriptor: | CHLORIDE ION, DNA repair and recombination protein RadA, SULFATE ION | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2016-04-18 | Release date: | 2016-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5K4Z
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![BU of 5k4z by Molmil](/molmil-images/mine/5k4z) | M. thermoresistible IMPDH in complex with IMP and Compound 6 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide | Authors: | Pacitto, A, Ascher, D.B, Blundell, T.L. | Deposit date: | 2016-05-22 | Release date: | 2016-10-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis. ACS Infect Dis, 3, 2017
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5K4X
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![BU of 5k4x by Molmil](/molmil-images/mine/5k4x) | M. thermoresistible IMPDH in complex with IMP and Compound 1 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | Authors: | Pacitto, A, Ascher, D.B, Blundell, T.L. | Deposit date: | 2016-05-22 | Release date: | 2016-10-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis. ACS Infect Dis, 3, 2017
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1SAC
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![BU of 1sac by Molmil](/molmil-images/mine/1sac) | THE STRUCTURE OF PENTAMERIC HUMAN SERUM AMYLOID P COMPONENT | Descriptor: | ACETIC ACID, CALCIUM ION, SERUM AMYLOID P COMPONENT | Authors: | White, H.E, Emsley, J, O'Hara, B.P, Oliva, G, Srinivasan, N, Tickle, I.J, Blundell, T.L, Pepys, M.B, Wood, S.P. | Deposit date: | 1994-01-27 | Release date: | 1994-05-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of pentameric human serum amyloid P component. Nature, 367, 1994
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7R22
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![BU of 7r22 by Molmil](/molmil-images/mine/7r22) | |
1XY2
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![BU of 1xy2 by Molmil](/molmil-images/mine/1xy2) | CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING | Descriptor: | OXYTOCIN | Authors: | Cooper, S, Blundell, T.L, Pitts, J.E, Wood, S.P, Tickle, I.J. | Deposit date: | 1987-06-05 | Release date: | 1988-04-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding. Science, 232, 1986
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1XY1
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![BU of 1xy1 by Molmil](/molmil-images/mine/1xy1) | CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING | Descriptor: | BETA-MERCAPTOPROPIONATE-OXYTOCIN | Authors: | Husain, J, Blundell, T.L, Wood, S.P, Tickle, I.J, Cooper, S, Pitts, J.E. | Deposit date: | 1987-06-05 | Release date: | 1988-04-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding. Science, 232, 1986
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