4J0R
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![BU of 4j0r by Molmil](/molmil-images/mine/4j0r) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-01-31 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
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2DFD
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![BU of 2dfd by Molmil](/molmil-images/mine/2dfd) | Crystal Structure of Human Malate Dehydrogenase Type 2 | Descriptor: | ALANINE, CHLORIDE ION, D-MALATE, ... | Authors: | Ugochukwu, E, Shafqat, N, Rojkova, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-02-28 | Release date: | 2006-03-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Malate Dehydrogenase Type 2 To be Published
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4J0S
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![BU of 4j0s by Molmil](/molmil-images/mine/4j0s) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-01-31 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
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1Z83
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![BU of 1z83 by Molmil](/molmil-images/mine/1z83) | Crystal structure of human AK1A in complex with AP5A | Descriptor: | Adenylate kinase 1, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, ... | Authors: | Filippakopoulos, P, Bunkoczi, G, Jansson, A, Schreurs, A, Knapp, S, Edwards, A, von Delft, F, Sundstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-03-29 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human AK1A in complex with AP5A To be Published
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2BWG
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![BU of 2bwg by Molmil](/molmil-images/mine/2bwg) | Structure of human guanosine monophosphate reductase GMPR1 in complex with GMP | Descriptor: | GMP REDUCTASE I, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION | Authors: | Bunkoczi, G, Haroniti, A, Ng, S, von Delft, F, Gileadi, O, Oppermann, U, Arrowsmith, C, Edwards, A, Sundstrom, M. | Deposit date: | 2005-07-13 | Release date: | 2005-07-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp To be Published
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2C2H
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![BU of 2c2h by Molmil](/molmil-images/mine/2c2h) | CRYSTAL STRUCTURE OF THE HUMAN RAC3 IN COMPLEX WITH GDP | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Debreczeni, J.E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, von Delft, F, Doyle, D, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. | Deposit date: | 2005-09-29 | Release date: | 2005-10-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Human Rac3 in Complex with Gdp To be Published
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4AYW
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![BU of 4ayw by Molmil](/molmil-images/mine/4ayw) | STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM) | Descriptor: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | Deposit date: | 2012-06-22 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States Proc.Natl.Acad.Sci.USA, 110, 2013
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5F5A
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![BU of 5f5a by Molmil](/molmil-images/mine/5f5a) | Crystal Structure of human JMJD2D complexed with KDOAM16 | Descriptor: | 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ... | Authors: | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-04 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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3CXW
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![BU of 3cxw by Molmil](/molmil-images/mine/3cxw) | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I | Descriptor: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Pimtide peptide, ... | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-04-25 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes J.Med.Chem., 55, 2012
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5F5I
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![BU of 5f5i by Molmil](/molmil-images/mine/5f5i) | Crystal Structure of human JMJD2A complexed with KDOOA011340 | Descriptor: | 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | Authors: | Krojer, T, Vollmar, M, Crawley, L, Szykowska, A, Gileadi, C, Johansson, C, England, K, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-04 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5FPL
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![BU of 5fpl by Molmil](/molmil-images/mine/5fpl) | Crystal structure of human JARID1B in complex with CCT363901 | Descriptor: | 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U. | Deposit date: | 2015-12-02 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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2BP1
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![BU of 2bp1 by Molmil](/molmil-images/mine/2bp1) | Structure of the aflatoxin aldehyde reductase in complex with NADPH | Descriptor: | AFLATOXIN B1 ALDEHYDE REDUCTASE MEMBER 2, CITRATE ANION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Debreczeni, J.E, Lukacik, P, Kavanagh, K, Dubinina, E, Bray, J, Colebrook, S, Haroniti, A, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Gileadi, O, Oppermann, U. | Deposit date: | 2005-04-17 | Release date: | 2005-05-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the Aflatoxin Aldehyde Reductase in Complex with Nadph To be Published
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5MQ4
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![BU of 5mq4 by Molmil](/molmil-images/mine/5mq4) | Crystal Structure of the leucine zipper of human PRKCBP1 | Descriptor: | Protein kinase C-binding protein 1, SULFATE ION, ZINC ION | Authors: | Krojer, T, Savitsky, P, Picaud, S, Newman, J, Tallant, C, Heroven, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P. | Deposit date: | 2016-12-20 | Release date: | 2017-01-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the leucine zipper of human PRKCBP1 To Be Published
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2C0C
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![BU of 2c0c by Molmil](/molmil-images/mine/2c0c) | Structure of the MGC45594 gene product | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC BINDING ALCOHOL DEHYDROGENASE, DOMAIN CONTAINING 2 | Authors: | Bunkoczi, G, Shafqat, N, Guo, K, Smee, C, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Gileadi, O, von Delft, F, Oppermann, U. | Deposit date: | 2005-08-30 | Release date: | 2005-09-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Structure of Mgc45594 Gene Product To be Published
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2BEL
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![BU of 2bel by Molmil](/molmil-images/mine/2bel) | Structure of human 11-beta-hydroxysteroid dehydrogenase in complex with NADP and carbenoxolone | Descriptor: | CARBENOXOLONE, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ... | Authors: | Kavanagh, K, Wu, X, Svensson, S, Elleby, B, von Delft, F, Debreczeni, J.E, Sharma, S, Bray, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Abrahmsen, L, Oppermann, U. | Deposit date: | 2004-11-25 | Release date: | 2004-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture To be Published
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1ZSX
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![BU of 1zsx by Molmil](/molmil-images/mine/1zsx) | Crystal Structure Of Human Potassium Channel Kv Beta-subunit (KCNAB2) | Descriptor: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel beta-2 subunit | Authors: | Wennerstrand, P, Johannsson, I, Ugochukwu, E, Kavanagh, K, Edwards, A, Arrowsmith, C, Williams, L, Sundstrom, M, Guo, K, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-05-25 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure Of Human Potassium Channel Kv Beta-subunit (KCNAB2) To be Published
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3IAR
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![BU of 3iar by Molmil](/molmil-images/mine/3iar) | The crystal structure of human adenosine deaminase | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Adenosine deaminase, GLYCEROL, ... | Authors: | Ugochukwu, E, Zhang, Y, Hapka, E, Yue, W.W, Bray, J.E, Muniz, J, Burgess-Brown, N, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-14 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The crystal structure of human adenosine deaminase To be Published
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1ZSY
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![BU of 1zsy by Molmil](/molmil-images/mine/1zsy) | The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63) | Descriptor: | GLYCEROL, MITOCHONDRIAL 2-ENOYL THIOESTER REDUCTASE, SULFATE ION | Authors: | Lukacik, P, Shafqat, N, Kavanagh, K.L, Johansson, C, Smee, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-05-25 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63) To be Published
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1ZX1
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![BU of 1zx1 by Molmil](/molmil-images/mine/1zx1) | Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954 | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, ... | Authors: | Jansson, A, Wu, X, Kavanagh, K, Kerr, D, Knox, R, Walton, R, Gunther, U, Ludwig, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-06 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954 To be Published
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6G8R
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![BU of 6g8r by Molmil](/molmil-images/mine/6g8r) | SP140 PHD-Bromodomain complex with scFv | Descriptor: | 1,2-ETHANEDIOL, Nuclear body protein SP140, ZINC ION, ... | Authors: | Fairhead, M, Graslund, S, Strain-Damerell, C, Picaud, S.S, Pike, A.C.W, Pinkas, D.M, Wigren, E, Preger, C, Persson Lotsholm, H, Ossipova, E, Filippakopoulos, P, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2018-04-09 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | SP140 PHD-Bromodomain complex with scFv To Be Published
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6SXW
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![BU of 6sxw by Molmil](/molmil-images/mine/6sxw) | Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638) | Descriptor: | SULFATE ION, Zinc finger protein 638 | Authors: | Newman, J.A, Aitkenhead, H, Wang, D, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-09-26 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638) To Be Published
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3HMF
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![BU of 3hmf by Molmil](/molmil-images/mine/3hmf) | Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein polybromo-1, ... | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-29 | Release date: | 2009-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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6ZU8
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![BU of 6zu8 by Molmil](/molmil-images/mine/6zu8) | Crystal structure of human Brachyury G177D variant in complex with Afatinib | Descriptor: | Brachyury protein, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide, ZINC ION | Authors: | Newman, J.A, Gavard, A.E, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-07-21 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of human Brachyury G177D variant in complex with Afatinib To Be Published
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6EI2
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![BU of 6ei2 by Molmil](/molmil-images/mine/6ei2) | Crystal Structure of HLA-A68 presenting a C-terminally extended peptide | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ... | Authors: | Picaud, S, Guillaume, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gfeller, D, Filippakopoulos, P. | Deposit date: | 2017-09-16 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of HLA-A68 presenting a C-terminally extended peptide To Be Published
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5LUG
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![BU of 5lug by Molmil](/molmil-images/mine/5lug) | Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide | Descriptor: | 1,2-ETHANEDIOL, ALA-ARG-THR-M3L-GLN-THR-ALA-2MR-LYS-SER, N3, ... | Authors: | Srikannathasan, V, Gileadi, C, Talon, R, Shrestha, L, Kopec, J, Szykowska, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | Deposit date: | 2016-09-08 | Release date: | 2017-09-20 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide To be published
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