6H47
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![BU of 6h47 by Molmil](/molmil-images/mine/6h47) | Human KRAS in complex with darpin K19 | Descriptor: | GTPase KRas, SULFATE ION, darpin K19 | Authors: | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | Deposit date: | 2018-07-20 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
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2XST
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![BU of 2xst by Molmil](/molmil-images/mine/2xst) | Crystal Structure of the Human Lipocalin 15 | Descriptor: | 1,2-ETHANEDIOL, LIPOCALIN 15 | Authors: | Muniz, J.R.C, Gileadi, C, Yue, W.W, Krojer, T, Ugochukwu, E, Phillips, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Kavanagh, K.L, Oppermann, U. | Deposit date: | 2010-09-30 | Release date: | 2010-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal Structure of the Human Lipocalin 15 To be Published
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4ZH0
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![BU of 4zh0 by Molmil](/molmil-images/mine/4zh0) | Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD | Descriptor: | Outer membrane protein-adhesin | Authors: | Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | Deposit date: | 2015-04-24 | Release date: | 2015-08-19 | Last modified: | 2015-12-09 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA. Sci Adv, 1, 2015
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4ZH7
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![BU of 4zh7 by Molmil](/molmil-images/mine/4zh7) | Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA | Descriptor: | Outer membrane protein-adhesin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | Authors: | Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | Deposit date: | 2015-04-24 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA. Sci Adv, 1, 2015
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3NR3
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![BU of 3nr3 by Molmil](/molmil-images/mine/3nr3) | Crystal Structure of Human Peripheral Myelin Protein 2 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, CITRIC ACID, ... | Authors: | Ugochukwu, E, Pilka, E, Phillips, C, Yue, W.W, Krojer, T, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-06-30 | Release date: | 2010-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Human Peripheral Myelin Protein 2 To be Published
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3NR9
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![BU of 3nr9 by Molmil](/molmil-images/mine/3nr9) | Structure of human CDC2-like kinase 2 (CLK2) | Descriptor: | (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2 | Authors: | Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-06-30 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of human CDC2-like kinase 2 (CLK2) To be Published
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1QQR
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![BU of 1qqr by Molmil](/molmil-images/mine/1qqr) | CRYSTAL STRUCTURE OF STREPTOKINASE DOMAIN B | Descriptor: | STREPTOKINASE DOMAIN B | Authors: | Spraggon, G, Zhang, X.X, Ponting, C.P, Fox, V.F, Phillips, C, Smith, R.A.G, Jones, E.Y, Dobson, C, Stuart, D.I. | Deposit date: | 1999-06-07 | Release date: | 1999-06-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Streptokinse Domain B To be Published
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2XD7
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![BU of 2xd7 by Molmil](/molmil-images/mine/2xd7) | Crystal structure of the macro domain of human core histone H2A | Descriptor: | CORE HISTONE MACRO-H2A.2 | Authors: | Vollmar, M, Phillips, C, Carpenter, E.P, Muniz, J.R.C, Krojer, T, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O. | Deposit date: | 2010-04-29 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of the Macro Domain of Human Core Histone H2A To be Published
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2X7F
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![BU of 2x7f by Molmil](/molmil-images/mine/2x7f) | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | Authors: | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2010-02-26 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor To be Published
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4AW2
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![BU of 4aw2 by Molmil](/molmil-images/mine/4aw2) | Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha) | Descriptor: | 1,2-ETHANEDIOL, 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate, SERINE/THREONINE-PROTEIN KINASE MRCK ALPHA | Authors: | Elkins, J.M, Muniz, J.R.C, Tan, I, Leung, T, Lafanechere, L, Prudent, R, Abdul Azeez, K, Szklarz, M, Phillips, C, Wang, J, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cdc42 Binding Protein Kinase Alpha (Mrck Alpha) To be Published
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2YLY
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![BU of 2yly by Molmil](/molmil-images/mine/2yly) | Sulfonamides as selective Estrogen Receptor beta Agonists. | Descriptor: | ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION | Authors: | Roberts, L.R, Armour, D, Barker, C, Bazin, R, Bess, K, Brown, A, Favor, D, Ellis, D, MacKenny, M, Pullen, N, Stennett, A, Strand, L, Styles, M, Phillips, C. | Deposit date: | 2011-06-06 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Sulfonamides as Selective Oestrogen Receptor Beta Agonists. Bioorg.Med.Chem.Lett., 21, 2011
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2O2T
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![BU of 2o2t by Molmil](/molmil-images/mine/2o2t) | The crystal structure of the 1st PDZ domain of MPDZ | Descriptor: | Multiple PDZ domain protein | Authors: | Papagrigoriou, E, Gileadi, C, Phillips, C, Johansson, C, Salah, E, Savitsky, P, Gorrec, F, Umeano, C, Berridge, G, Pike, A.C.W, Elkins, J, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-30 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of the 1st PDZ domain of MPDZ To be Published
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2YIY
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![BU of 2yiy by Molmil](/molmil-images/mine/2yiy) | Crystal structure of compound 8 bound to TAK1-TAB | Descriptor: | (1E)-1-[5-TERT-BUTYL-2-(3-FLUOROPHENYL)-1H-PYRAZOL-3-YLIDENE]-3-(4-PYRIDIN-3-YLOXYPHENYL)UREA, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1 | Authors: | Brown, D.G, Phillips, C. | Deposit date: | 2011-05-17 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The Discovery and Synthesis of Selective Dfg-Out Tak-1 Inhibitors To be Published
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2FCF
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![BU of 2fcf by Molmil](/molmil-images/mine/2fcf) | The crystal structure of the 7th PDZ domain of MPDZ (MUPP-1) | Descriptor: | Multiple PDZ domain protein | Authors: | Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-12-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
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2FNE
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![BU of 2fne by Molmil](/molmil-images/mine/2fne) | The crystal structure of the 13th PDZ domain of MPDZ | Descriptor: | Multiple PDZ domain protein | Authors: | Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-11 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
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2X47
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![BU of 2x47 by Molmil](/molmil-images/mine/2x47) | Crystal structure of human MACROD1 | Descriptor: | MACRO DOMAIN-CONTAINING PROTEIN 1, SULFATE ION | Authors: | Vollmar, M, Phillips, C, Mehrotra, P.V, Ahel, I, Krojer, T, Yue, W, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O. | Deposit date: | 2010-01-28 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of Macro Domain Proteins as Novel O-Acetyl-Adp-Ribose Deacetylases. J.Biol.Chem., 286, 2011
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2FE5
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![BU of 2fe5 by Molmil](/molmil-images/mine/2fe5) | The Crystal Structure of the Second PDZ Domain of Human DLG3 | Descriptor: | GLYCEROL, Presynaptic protein SAP102, SULFATE ION | Authors: | Ugochukwu, E, Phillips, C, Schoch, G, Berridge, G, Salah, E, Colebrook, S, Smee, C, Savitsky, P, Bray, J, Elkins, J, Doyle, D, Bunkoczi, G, Debreczeni, J, Turnbull, A, Gorrec, F, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-12-15 | Release date: | 2005-12-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Crystal Structure of the Second PDZ Domain of Human DLG3 To be Published
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2OCS
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![BU of 2ocs by Molmil](/molmil-images/mine/2ocs) | The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) | Descriptor: | 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2, THIOCYANATE ION | Authors: | Papagrigoriou, E, Phillips, C, Gileadi, C, Elkins, J, Salah, E, Berridge, G, Savitsky, P, Gorrec, F, Umeano, C, Ugochukwu, E, Gileadi, O, Burgess, N, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-21 | Release date: | 2007-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) To be Published
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2I1N
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![BU of 2i1n by Molmil](/molmil-images/mine/2i1n) | Crystal structure of the 1st PDZ domain of Human DLG3 | Descriptor: | Discs, large homolog 3, SODIUM ION | Authors: | Turnbull, A.P, Phillips, C, Bunkoczi, G, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Gorrec, F, Umeano, C, Elkins, J, Berridge, G, Savitsky, P, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2006-08-14 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
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2OPG
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![BU of 2opg by Molmil](/molmil-images/mine/2opg) | The crystal structure of the 10th PDZ domain of MPDZ | Descriptor: | Multiple PDZ domain protein, SODIUM ION | Authors: | Gileadi, C, Phillips, C, Elkins, J, Papagrigoriou, E, Ugochukwu, E, Gorrec, F, Savitsky, P, Umeano, C, Berridge, G, Gileadi, O, Salah, E, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-29 | Release date: | 2007-02-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the 10th PDZ domain of MPDZ To be Published
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2P0A
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![BU of 2p0a by Molmil](/molmil-images/mine/2p0a) | The crystal structure of human synapsin III (SYN3) in complex with AMPPNP | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Turnbull, A.P, Phillips, C, Pike, A.C.W, Elkins, J.M, Gileadi, C, Salah, E, Niesen, F.H, Burgess, N, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-28 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of human synapsin III (SYN3) in complex with AMPPNP To be Published
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2JIN
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![BU of 2jin by Molmil](/molmil-images/mine/2jin) | Crystal structure of PDZ domain of Synaptojanin-2 binding protein | Descriptor: | SODIUM ION, SULFATE ION, SYNAPTOJANIN-2 BINDING PROTEIN | Authors: | Tickle, J, Phillips, C, Pike, A.C.W, Cooper, C, Salah, E, Elkins, J, Turnbull, A.P, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D. | Deposit date: | 2007-06-28 | Release date: | 2007-07-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Pdz Domain of Synaptojanin-2 Binding Protein To be Published
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2JIK
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![BU of 2jik by Molmil](/molmil-images/mine/2jik) | Crystal structure of PDZ domain of Synaptojanin-2 binding protein | Descriptor: | SYNAPTOJANIN-2 BINDING PROTEIN | Authors: | Tickle, J, Phillips, C, Pike, A.C.W, Cooper, C, Salah, E, Elkins, J, Turnbull, A.P, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D. | Deposit date: | 2007-06-28 | Release date: | 2007-07-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of Pdz Domain of Synaptojanin-2 Binding Protein To be Published
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5A5I
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![BU of 5a5i by Molmil](/molmil-images/mine/5a5i) | Cytochrome 2C9 P450 inhibitor complex | Descriptor: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Skerratt, S.E, de Groot, M.J, Phillips, C. | Deposit date: | 2015-06-18 | Release date: | 2016-08-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. Med.Chem.Comm., 7, 2016
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2JLE
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![BU of 2jle by Molmil](/molmil-images/mine/2jle) | Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays | Descriptor: | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile, REVERSE TRANSCRIPTASE/RNASEH | Authors: | Jones, L.H, Allan, G, Barba, O, Burt, C, Corbau, R, Dupont, T, Irving, S, Mowbray, C.E, Phillips, C, Swain, N.A, Webster, R, Westby, M. | Deposit date: | 2008-09-08 | Release date: | 2009-08-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays. J.Med.Chem., 52, 2009
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