6RRK
| Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide | Descriptor: | Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog | Authors: | Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-20 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
|
|
6QPL
| Crystal structure of Spindlin1 in complex with the inhibitor MS31 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Johansson, C, Krojer, T, Xiong, Y, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2019-02-14 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1). J.Med.Chem., 62, 2019
|
|
6RRC
| Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with RAD21 peptide | Descriptor: | Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog, SULFATE ION | Authors: | Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-17 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
|
|
6GPK
| Crystal structure of human GDP-D-mannose 4,6-dehydratase (E157Q) in complex with GDP-Man | Descriptor: | 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GLYCEROL, ... | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-06 | Release date: | 2018-07-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
|
|
6QB5
| Crystal structure of the N-terminal region of human cohesin subunit STAG1 | Descriptor: | Cohesin subunit SA-1, SODIUM ION | Authors: | Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2018-12-20 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
|
|
3BJK
| Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase: The Asp44Ala mutant enzyme | Descriptor: | 1,2-ETHANEDIOL, Acyl-CoA thioester hydrolase HI0827, CITRIC ACID | Authors: | Willis, M.A, Herzberg, O, Structure 2 Function Project (S2F) | Deposit date: | 2007-12-04 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of YciA from Haemophilus influenzae (HI0827), a Hexameric Broad Specificity Acyl-Coenzyme A Thioesterase. Biochemistry, 47, 2008
|
|
5TB6
| Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment | Descriptor: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-11 | Release date: | 2016-10-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
|
|
6BWK
| |
3C3V
| |
3TIQ
| Crystal structure of Staphylococcus aureus SasG G51-E-G52 module | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Surface protein G | Authors: | Gruszka, D.T, Wojdyla, J.A, Turkenburg, J.P, Potts, J.R. | Deposit date: | 2011-08-21 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8739 Å) | Cite: | Staphylococcal biofilm-forming protein has a contiguous rod-like structure. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
5O1O
| Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound. | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | Authors: | Kopec, J, Rembeza, E, Pena, I.A, Mathea, S, Velupillai, S, Strain-Damerell, C, Goubin, S, Kupinska, K, Talon, R, Collins, P, Krojer, T, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, von Delft, F, Arruda, P, Yue, W.W. | Deposit date: | 2017-05-18 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound. To Be Published
|
|
6SY1
| Crystal structure of the human 2-oxoadipate dehydrogenase DHTKD1 (E1) | Descriptor: | MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, ... | Authors: | Bezerra, G.A, Foster, W, Shrestha, L, Pena, I.A, Coker, J, Kolker, S, Nicola, B.B, von Delft, F, Edwards, A, Arrowsmith, C, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2019-09-26 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure and interaction studies of human DHTKD1 provide insight into a mitochondrial megacomplex in lysine catabolism. Iucrj, 7, 2020
|
|
5O1P
| Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase. | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | Authors: | Kopec, J, Rembeza, E, Pena, I.A, Williams, E, Velupillai, S, Kupinska, K, Strain-Damerell, C, Goubin, S, Talon, R, Collins, P, Krojer, T, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, von Delft, F, Arruda, P, Yue, W.W. | Deposit date: | 2017-05-18 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase. To Be Published
|
|
5O1N
| Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound | Descriptor: | 1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide, 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, ... | Authors: | Kopec, J, Rembeza, E, Pena, I.A, Strain-Damerell, C, Goubin, S, Sethi, R, Velupillai, S, Talon, R, Collins, P, Krojer, T, McLaughlin, M, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, von Delft, F, Arruda, P, Yue, W.W. | Deposit date: | 2017-05-18 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound To Be Published
|
|
6TT5
| Crystal structure of DCLRE1C/Artemis | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ... | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-12-23 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
|
|
1XLR
| CHORISMATE LYASE WITH INHIBITOR VANILLATE | Descriptor: | 4-HYDROXY-3-METHOXYBENZOATE, Chorismate--pyruvate lyase | Authors: | Gallagher, D.T, Smith, N. | Deposit date: | 2004-09-30 | Release date: | 2004-11-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural analysis of ligand binding and catalysis in chorismate lyase. Arch.Biochem.Biophys., 445, 2006
|
|
1YLI
| |
3TIP
| |
2YPR
| Crystal structure of the DNA binding ETS domain of human protein FEV | Descriptor: | GLYCEROL, PROTEIN FEV | Authors: | Allerston, C.K, Cooper, C, Vollmar, M, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O. | Deposit date: | 2012-10-31 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation. J.Biol.Chem., 290, 2015
|
|
4GW8
| Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41 | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Consensus peptide (Pimtide), ... | Authors: | Filippakopoulos, P, Bullock, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-01 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B. J.Med.Chem., 55, 2012
|
|
2XML
| Crystal structure of human JMJD2C catalytic domain | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4C, ... | Authors: | Yue, W.W, Gileadi, C, Krojer, T, Pike, A.C.W, von Delft, F, Ng, S, Carpenter, L, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2010-07-28 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family. J.Biol.Chem., 286, 2011
|
|
2AHC
| Chorismate lyase with inhibitor Vanilate | Descriptor: | 4-HYDROXY-3-METHOXYBENZOATE, Chorismate lyase | Authors: | Gallagher, D.T, Smith, N.N. | Deposit date: | 2005-07-27 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural analysis of ligand binding and catalysis in chorismate lyase Arch.Biochem.Biophys., 445, 2006
|
|
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
|
|
7N9L
| KirBac3.1 C71S C262S | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION, ... | Authors: | Gulbis, J.M, Black, K.A. | Deposit date: | 2021-06-18 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ion currents through Kir potassium channels are gated by anionic lipids. Nat Commun, 13, 2022
|
|
7N9K
| KirBac3.1 L124M mutant | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, N-OCTANE, ... | Authors: | Black, T.A, Gulbis, J.M. | Deposit date: | 2021-06-18 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Ion currents through Kir potassium channels are gated by anionic lipids. Nat Commun, 13, 2022
|
|