4OGI
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor BI-2536 | Descriptor: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Jose, B, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-01-16 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Dual kinase-bromodomain inhibitors for rationally designed polypharmacology. Nat.Chem.Biol., 10, 2014
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1ZW5
| X-ray structure of Farnesyl diphosphate synthase protein | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ZOLEDRONIC ACID, ... | Authors: | Kavanagh, K.L, Guo, K, Wu, X, von Delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-03 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs. Proc.Natl.Acad.Sci.USA, 103, 2006
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4MEN
| Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-27 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening. J.Med.Chem., 56, 2013
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3Q4T
| Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dorsomorphin | Descriptor: | 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-2A, ... | Authors: | Chaikuad, A, Alfano, I, Mahajan, P, Cooper, C.D.O, Sanvitale, C, Vollmar, M, Krojer, T, Muniz, J.R.C, Raynor, J, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-24 | Release date: | 2011-02-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Small Molecules Dorsomorphin and LDN-193189 Inhibit Myostatin/GDF8 Signaling and Promote Functional Myoblast Differentiation. J.Biol.Chem., 290, 2015
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4LOP
| Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) | Descriptor: | 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, L(+)-TARTARIC ACID, ... | Authors: | Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-07-13 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.049 Å) | Cite: | Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1. Nat.Struct.Mol.Biol., 20, 2013
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1YQ7
| Human farnesyl diphosphate synthase complexed with risedronate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION, ... | Authors: | Kavanagh, K.L, Guo, K, Von delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-02-01 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human farnesyl diphosphate complexed with clinical inhibitor risedronate To be Published
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1ZV4
| Structure of the Regulator of G-Protein Signaling 17 (RGSZ2) | Descriptor: | Regulator of G-protein signaling 17 | Authors: | Schoch, G.A, Jansson, A, Elkins, J.M, Haroniti, A, Niesen, F.H, Bunkoczi, G, Lee, W.H, Turnbull, A.P, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Marsden, B, Gileadi, O, Ball, L, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-01 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4OGJ
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor TG-101348 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide | Authors: | Filippakopoulos, P, Picaud, S, Jose, B, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-01-16 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dual kinase-bromodomain inhibitors for rationally designed polypharmacology. Nat.Chem.Biol., 10, 2014
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2A3K
| Crystal Structure of the Human Protein Tyrosine Phosphatase, PTPN7 (HePTP, Hematopoietic Protein Tyrosine Phosphatase) | Descriptor: | PHOSPHATE ION, protein tyrosine phosphatase, non-receptor type 7, ... | Authors: | Barr, A, Turnbull, A.P, Das, S, Eswaran, J, Debreczeni, J.E, Longmann, E, Smee, C, Burgess, N, Gileadi, O, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-24 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1. Protein Sci., 15, 2006
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3QK3
| Crystal structure of human beta-crystallin B3 | Descriptor: | 1,2-ETHANEDIOL, Beta-crystallin B3, SULFATE ION | Authors: | Krojer, T, Gileadi, C, Cocking, R, Muniz, J, Pilka, E, Yue, W.W, Vollmar, M, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2011-01-31 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: |
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2A72
| Structure of the regulator of G-protein signaling domain of RGS7 | Descriptor: | CHLORIDE ION, Regulator of G-protein signalling 7 | Authors: | Schoch, G.A, Johansson, C, Phillips, C, Debreczeni, J, Smee, C, Elkins, J.M, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Gileadi, O, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-07-04 | Release date: | 2005-07-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3ONI
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain containing 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-29 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Selective inhibition of BET bromodomains. Nature, 468, 2010
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2A1X
| Human phytanoyl-coa 2-hydroxylase in complex with iron and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase | Authors: | Kavanagh, K.L, McDonough, M.A, Searles, T, Butler, D, Bunkoczi, G, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-21 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Human Phytanoyl-CoA 2-Hydroxylase Identifies Molecular Mechanisms of Refsum Disease J.Biol.Chem., 280, 2005
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2AF0
| Structure of the Regulator of G-Protein Signaling Domain of RGS2 | Descriptor: | Regulator of G-protein signaling 2 | Authors: | Papagrigoriou, E, Johannson, C, Phillips, C, Smee, C, Elkins, J.M, Weigelt, J, Arrowsmith, C, Edwards, A, Sundstrom, M, Von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-07-25 | Release date: | 2005-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4LZ2
| Crystal structure of the bromodomain of human BAZ2A | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | Authors: | Tallant, C, Nunez-Alonso, G, Picaud, S, Filippakopoulos, P, Krojer, T, Bradley, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-07-31 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC. Structure, 23, 2015
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3PFW
| Crystal structure of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase (GAPDS) complex with NAD, a binary form | Descriptor: | GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, testis-specific, ... | Authors: | Chaikuad, A, Shafqat, N, Yue, W.W, Cocking, R, Bray, J.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-10-29 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure and kinetic characterization of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase, GAPDS. Biochem.J., 435, 2011
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1YDE
| Crystal Structure of Human Retinal Short-Chain Dehydrogenase/Reductase 3 | Descriptor: | Retinal dehydrogenase/reductase 3 | Authors: | Lukacik, P, Bunkozci, G, Kavanagh, K, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2004-12-23 | Release date: | 2005-01-18 | Last modified: | 2012-03-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and biochemical characterization of human orphan DHRS10 reveals a novel cytosolic enzyme with steroid dehydrogenase activity. Biochem.J., 402, 2007
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5A3P
| Crystal structure of the catalytic domain of human PLU1 (JARID1B). | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Tallant, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-06-02 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5A7W
| Crystal structure of human JMJD2A in complex with compound 35 | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5A7S
| Crystal structure of human JMJD2A in complex with compound 44 | Descriptor: | 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5A3W
| Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA) | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-06-03 | Release date: | 2015-06-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5AHR
| Crystal structure of human DNA cross-link repair 1A, crystal form B | Descriptor: | 1,2-ETHANEDIOL, DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION | Authors: | Allerston, C.K, Newman, J.A, Vollmar, M, Goubin, S, Forese, D.S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2015-02-06 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities. Nucleic Acids Res., 43, 2015
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5AHO
| Crystal structure of human 5' exonuclease Apollo | Descriptor: | 1,2-ETHANEDIOL, 5' EXONUCLEASE APOLLO, L(+)-TARTARIC ACID, ... | Authors: | Allerston, C.K, Vollmar, M, Krojer, T, Pike, A.C.W, Newman, J.A, Carpenter, E, Quigley, A, Mahajan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Gileadi, O. | Deposit date: | 2015-02-06 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities. Nucleic Acids Res., 43, 2015
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5APA
| Crystal structure of human aspartate beta-hydroxylase isoform a | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, ... | Authors: | Krojer, T, Kochan, G, Pfeffer, I, McDonough, M.A, Pilka, E, Hozjan, V, Allerston, C, Muniz, J.R, Chaikuad, A, Gileadi, O, Kavanagh, K, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | Deposit date: | 2015-09-15 | Release date: | 2015-09-23 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern. Nat Commun, 10, 2019
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5A7N
| Crystal structure of human JMJD2A in complex with compound 43 | Descriptor: | 1,2-ETHANEDIOL, 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Williams, E, Riesebos, E, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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