6HPY
 
 | | Crystal structure of ENL (MLLT1) in complex with compound 12 | | Descriptor: | 1,2-ETHANEDIOL, 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid, Protein ENL, ... | | Authors: | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-09-22 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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5BT3
 | | Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe | | Descriptor: | 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase p300, ISOPROPYL ALCOHOL | | Authors: | Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-06-02 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Crystal structure of EP300 bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
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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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3MA3
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a naphtho-difuran ligand | | Descriptor: | Pimtide, Proto-oncogene serine/threonine-protein kinase pim-1, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Vollmar, M, von Delft, F, Cochet, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-23 | | Release date: | 2010-04-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
Faseb J., 24, 2010
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3RCW
 | | Crystal Structure of the bromodomain of human BRD1 | | Descriptor: | 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, ACETATE ION, ... | | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Felletar, I, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-03-31 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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3GG3
 | | Crystal Structure of the Bromodomain of Human PCAF | | Descriptor: | CHLORIDE ION, Histone acetyltransferase PCAF | | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Rehana, K, Fedorov, O, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-02-27 | | Release date: | 2009-03-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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5BT5
 | | Crystal structure of BRD2 second bromodomain in complex with SGC-CBP30 chemical probe | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Bromodomain-containing protein 2 | | Authors: | Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-06-02 | | Release date: | 2015-07-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of BRD2 second bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
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8RCI
 | | Human p53 DNA-binding domain bound to DARPin C10 | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DARPin C10, ... | | Authors: | Balourdas, D.I, Muenick, P, Strubel, A, Knapp, S, Dotsch, V, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-12-06 | | Release date: | 2024-12-18 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | DARPin-induced reactivation of p53 in HPV-positive cells.
Nat.Struct.Mol.Biol., 32, 2025
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7P4E
 | | Crystal structure of PPARgamma in complex with compound FL217 | | Descriptor: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ... | | Authors: | Ni, X, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-11 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
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2OOQ
 | | Crystal Structure of the Human Receptor Phosphatase PTPRT | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Receptor-type tyrosine-protein phosphatase T, ... | | Authors: | Ugochukwu, E, Alfano, I, Barr, A, Keates, T, Eswaran, J, Salah, E, Savitsky, P, Bunkoczi, G, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-26 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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7P4K
 | | Soluble epoxide hydrolase in complex with FL217 | | Descriptor: | Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | | Authors: | Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-11 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
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2P6X
 | | Crystal structure of human tyrosine phosphatase PTPN22 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 22 | | Authors: | Ugochukwu, E, Salah, E, Barr, A, Shrestha, L, Alfano, I, Burgess-Brown, N, King, O, Umeano, C, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Turnbull, A, Uppenberg, J, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-19 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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9GFO
 | | iASPP-CTD fusion to p63 peptide | | Descriptor: | Tumor protein 63,RelA-associated inhibitor | | Authors: | Chaikuad, A, Akutsu, M, Lotz, R, Osterburg, C, Knapp, S, Dotsch, V. | | Deposit date: | 2024-08-12 | | Release date: | 2024-12-18 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Alternative splicing in the DBD linker region of p63 modulates binding to DNA and iASPP in vitro.
Cell Death Dis, 16, 2025
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9GBF
 | | X-RAY structure of PHDvC5HCH tandem domain of NSD2 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone-lysine N-methyltransferase NSD2, ... | | Authors: | Musco, G, Cocomazzi, P, Berardi, A, Knapp, S, Kramer, A. | | Deposit date: | 2024-07-31 | | Release date: | 2024-12-18 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The C-terminal PHDVC5HCH tandem domain of NSD2 is a combinatorial reader of unmodified H3K4 and tri-methylated H3K27 that regulates transcription of cell adhesion genes in multiple myeloma.
Nucleic Acids Res., 53, 2025
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7Q2J
 | | Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer | | Descriptor: | Elongin-B, Elongin-C, N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide, ... | | Authors: | Kraemer, A, Doelle, A, Schwalm, M.P, Adhikari, B, Wolf, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-10-25 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
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7QGJ
 | | Apo structure of BIR2 Domain of BIRC2 | | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Kraemer, A, Farges, F, Schwalm, M.P, Saxena, K, Preuss, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-12-08 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Apo structure BIR2 Domain of BIRC2
To Be Published
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7QGP
 | | STK10 (LOK) bound to Macrocycle CKJB51 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea, CHLORIDE ION, ... | | Authors: | Berger, B.-T, Schroeder, M, Kraemer, A, Schwalm, M.P, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-12-09 | | Release date: | 2022-01-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | STK10 bound to CKJB51
To Be Published
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2J0I
 | | CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 | | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE PAK 4 | | Authors: | Debreczeni, J.E, Eswaran, J, Ugochukwu, E, Papagrigoriou, E, Turnbull, A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Knapp, S. | | Deposit date: | 2006-08-03 | | Release date: | 2006-08-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Human P21-Activated Kinase 4
To be Published
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3GGF
 | | Crystal structure of human Serine/threonine-protein kinase MST4 in complex with an quinazolin | | Descriptor: | CADMIUM ION, Serine/threonine-protein kinase MST4, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE | | Authors: | Chaikuad, A, Rellos, P, Eidarus, S, Das, S, Pike, A.C.W, Sethi, R, Fedorov, O, Savitsky, P, Roos, A.K, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-02-27 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural comparison of human mammalian ste20-like kinases
Plos One, 5, 2010
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2NZ6
 | | Crystal structure of the PTPRJ inactivating mutant C1239S | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Ugochukwu, E, Barr, A, Savitsky, P, Pike, A.C.W, Bunkoczi, G, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-22 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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6Y3U
 | | Crystal structure of PPARgamma in complex with compound (R)-16 | | Descriptor: | (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Chaikuad, A, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-18 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode.
J.Med.Chem., 63, 2020
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2OC3
 | | Crystal Structure of the Catalytic Domain of Human Protein Tyrosine Phosphatase non-receptor Type 18 | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 18 | | Authors: | Ugochukwu, E, Barr, A, Alfano, I, Gorrec, F, Umeano, C, Savitsky, P, Sobott, F, Eswaran, J, Papagrigoriou, E, Debreczeni, J.E, Turnbull, A, Bunkoczi, G, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-12-20 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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6YQN
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6YQP
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22 | | Descriptor: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6YQO
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12 | | Descriptor: | (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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