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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3CY2
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II | | Descriptor: | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, 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 (2.01 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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3CLZ
 | | The set and ring associated (SRA) domain of UHRF1 bound to methylated DNA | | Descriptor: | 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3', 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3', E3 ubiquitin-protein ligase UHRF1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-03-20 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1.
Nature, 455, 2008
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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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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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6YMQ
 | | TREM2 extracellular domain (19-131) in complex with single-chain variable 4 (scFv-4) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Single-chain variable 4, ... | | Authors: | Szykowska, A, Preger, C, Scacioc, A, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Davis, J.B, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-04-09 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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6Y6C
 | | TREM2 extracellular domain (19-174) in complex with single-chain variable fragment (scFv-4) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain variable, Triggering receptor expressed on myeloid cells 2 | | Authors: | Szykowska, A, Preger, C, Williams, E, Mukhopadhyay, S.M.M, McKinley, G, Gruslund, S, Wigren, E, Persson, H, Arrowsmith, C.H, Edwards, A, von Delft, F, Bountra, C, Davis, J.B, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-02-26 | | Release date: | 2021-02-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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6TTK
 | | Crystal structure of the kelch domain of human KLHL12 in complex with DVL1 peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DVL1, ... | | Authors: | Chen, Z, Williams, E, Pike, A.C.W, Strain-Damerell, C, Wang, D, Chalk, R, Burgess-Brown, N, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-12-27 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.383 Å) | | Cite: | Identification of a PGXPP degron motif in dishevelled and structural basis for its binding to the E3 ligase KLHL12.
Open Biology, 10, 2020
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6HT1
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92) | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-10-02 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
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3F3S
 | | The Crystal Structure of Human Lambda-Crystallin, CRYL1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Lambda-crystallin homolog, ... | | Authors: | Ugochukwu, E, Johansson, C, Yue, W.W, Kochan, G, Pilka, E, Kramm, A, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-10-31 | | Release date: | 2008-11-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Human Lambda-Crystallin, CRYL1
To be Published
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3F70
 | | Crystal structure of L3MBTL2-H4K20me1 complex | | Descriptor: | Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE | | Authors: | Guo, Y, Qi, C, Allali-Hassani, A, Pan, P, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Botchkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-07 | | Release date: | 2009-01-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
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3FL7
 | | Crystal structure of the human ephrin A2 ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Ephrin receptor, ... | | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-12-18 | | Release date: | 2009-01-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6YYE
 | | TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2 | | Authors: | Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-05-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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5U4X
 | | Coactivator-associated arginine methyltransferase 1 with TP-064 | | Descriptor: | Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-12-06 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma.
Oncotarget, 9, 2018
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3FO5
 | | Human START domain of Acyl-coenzyme A thioesterase 11 (ACOT11) | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van-Den-Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Shueler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-12-27 | | Release date: | 2009-02-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
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2VPJ
 | | Crystal structure of the Kelch domain of human KLHL12 | | Descriptor: | ACETATE ION, KELCH-LIKE PROTEIN 12 | | Authors: | Keates, T, Pike, A.C.W, Bullock, A.N, Salah, E, Filippakopoulos, P, Roos, A.K, von Delft, F, Savitsky, P, Weigelt, J, Edwards, A, Arrowsmith, C.H, Bountra, C, Knapp, S. | | Deposit date: | 2008-02-29 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
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5A7P
 | | Crystal structure of human JMJD2A in complex with compound 36 | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(5-methyl-1,2-oxazol-3-yl)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: | 2015-07-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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8BLO
 | | Human Urea Transporter UT-A (N-Terminal Domain Model) | | Descriptor: | Lauryl Maltose Neopentyl Glycol, Urea transporter 2, di-heneicosanoyl phosphatidyl choline | | Authors: | Chi, G, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Scacioc, A, Wang, D, McKinley, G, Fernandez-Cid, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Burgess-Brown, N.A, van Putte, W, Duerr, K. | | Deposit date: | 2022-11-10 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023
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8BLP
 | | Human Urea Transporter UT-B/UT1 in Complex with Inhibitor UTBinh-14 | | Descriptor: | 10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Chi, G, Dietz, L, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, Scacioc, A, McKinley, G, Arrowsmith, C.H, Edwards, A, Bountra, C, Fernandez-Cid, A, Burgess-Brown, N.A, Duerr, K.L. | | Deposit date: | 2022-11-10 | | Release date: | 2023-10-04 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023
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2XN4
 | | Crystal structure of the kelch domain of human KLHL2 (Mayven) | | Descriptor: | 1,2-ETHANEDIOL, KELCH-LIKE PROTEIN 2, SODIUM ION, ... | | Authors: | Canning, P, Hozjan, V, Cooper, C.D.O, Ayinampudi, V, Vollmar, M, Pike, A.C.W, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2010-07-30 | | Release date: | 2010-08-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
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3QNF
 | | Crystal structure of the open state of human endoplasmic reticulum aminopeptidase 1 ERAP1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 1, ZINC ION, ... | | Authors: | Vollmar, M, Kochan, G, Krojer, T, Harvey, D, Chaikuad, A, Allerston, C, Muniz, J.R.C, Raynor, J, Ugochukwu, E, Berridge, G, Wordsworth, B.P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-02-08 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of the endoplasmic reticulum aminopeptidase-1 (ERAP1) reveal the molecular basis for N-terminal peptide trimming.
Proc.Natl.Acad.Sci.USA, 108, 2011
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8C7D
 | | Structure of the GEF Kalirin DH2 Domain | | Descriptor: | Kalirin | | Authors: | Callens, M.C, Thompson, A.P, Gray, J.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-14 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure-based alignment and analysis of RHO selectivity of RHO-DBL GTPase exchange factors
to be published
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8CIS
 | | The FERM domain of human moesin with two bound peptides identified by phage display | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, C3P, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | | Deposit date: | 2023-02-10 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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8CIU
 | | The FERM domain of human moesin mutant H288A | | Descriptor: | Moesin | | Authors: | Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-02-10 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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