5SC4
 
 | | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z927412236 | | Descriptor: | (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one, 1,2-ETHANEDIOL, CD44 antigen, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | | Deposit date: | 2021-09-14 | | Release date: | 2021-09-22 | | Method: | X-RAY DIFFRACTION (1.165 Å) | | Cite: | CD44 PanDDA analysis group deposition
To Be Published
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5SC7
 | | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120 | | Descriptor: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, 1,2-ETHANEDIOL, CD44 antigen, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | | Deposit date: | 2021-09-14 | | Release date: | 2021-09-22 | | Method: | X-RAY DIFFRACTION (1.197 Å) | | Cite: | CD44 PanDDA analysis group deposition
To Be Published
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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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5RLL
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z425387594 | | Descriptor: | 1-(2-ethoxyphenyl)piperazine, Helicase, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RM6
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z396380540 | | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.128 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RM0
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719 | | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RML
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z85956652 | | Descriptor: | Helicase, N-(3-chloro-2-methylphenyl)glycinamide, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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5RMF
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z54226006 | | Descriptor: | (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone, Helicase, PHOSPHATE ION, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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7QGI
 | | Crystal structure of SARS-CoV-2 NSP14 in the absence of NSP10 | | Descriptor: | PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION | | Authors: | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | | Deposit date: | 2021-12-08 | | Release date: | 2022-01-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development.
Nucleic Acids Res., 51, 2023
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7QIF
 | | Crystal structure of SARS-CoV-2 NSP14 in complex with 7MeGpppG. | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | Authors: | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | | Deposit date: | 2021-12-14 | | Release date: | 2022-02-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development.
Nucleic Acids Res., 51, 2023
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2C30
 | | Crystal Structure Of The Human P21-Activated Kinase 6 | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE PAK 6 | | Authors: | Filippakopoulos, P, Berridge, G, Bray, J, Burgess, N, Colebrook, S, Das, S, Eswaran, J, Gileadi, O, Papagrigoriou, E, Savitsky, P, Smee, C, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | | Deposit date: | 2005-10-02 | | Release date: | 2006-02-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
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2ATV
 | | The crystal structure of human RERG in the GDP bound state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-like estrogen-regulated growth inhibitor | | Authors: | Turnbull, A.P, Salah, E, Schoch, G, Elkins, J, Burgess, N, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-26 | | Release date: | 2005-10-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of human RERG in the GDP bound state
To be Published
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2BLE
 | | Structure of human guanosine monophosphate reductase GMPR1 in complex with GMP | | Descriptor: | GMP REDUCTASE I, GUANOSINE-5'-MONOPHOSPHATE, SODIUM ION | | Authors: | Bunkoczi, G, Haroniti, A, Ng, S, von Delft, F, Oppermann, U, Arrowsmith, C, Sundstrom, M, Edwards, A, Gileadi, O. | | Deposit date: | 2005-03-03 | | Release date: | 2005-03-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp
To be Published
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2C46
 | | CRYSTAL STRUCTURE OF THE HUMAN RNA guanylyltransferase and 5'- phosphatase | | Descriptor: | MRNA CAPPING ENZYME | | Authors: | Debreczeni, J, Johansson, C, Longman, E, Gileadi, O, SavitskySmee, P, Smee, C, Bunkoczi, G, Ugochukwu, E, von Delft, F, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2005-10-15 | | Release date: | 2005-11-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Human RNA Guanylyltransferase and 5'-Phosphatase
To be Published
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2C60
 | | crystal structure of human mitogen-activated protein kinase kinase kinase 3 isoform 2 phox domain at 1.25 A resolution | | Descriptor: | CALCIUM ION, GLYCEROL, HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 3 ISOFORM 2 | | Authors: | Debreczeni, J.E, Salah, E, Papagrigoriou, E, Burgess, N, von Delft, F, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Knapp, S. | | Deposit date: | 2005-11-04 | | Release date: | 2005-11-29 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase Kinase 3 Isoform 2 Fox Domain at 1.25 A Resolution
To be Published
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3OOM
 | | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 | | Descriptor: | 1,2-ETHANEDIOL, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, Activin receptor type-1, ... | | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507
To be Published
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3OP5
 | | Human vaccinia-related kinase 1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ... | | Authors: | Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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2HW5
 | | The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1 | | Descriptor: | CROTONYL COENZYME A, Enoyl-CoA hydratase, MAGNESIUM ION | | Authors: | Turnbull, A.P, Salah, E, Niesen, F, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Kavanagh, K, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-07-31 | | Release date: | 2006-08-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1
To be Published
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3PFV
 | | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide | | Descriptor: | 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE ION, ... | | Authors: | Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Muniz, J.R.C, Vollmar, M, Canning, P, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-10-29 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
To be Published
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4CVO
 | | Crystal structure of the N-terminal colied-coil domain of human DNA excision repair protein ERCC-6 | | Descriptor: | DNA EXCISION REPAIR PROTEIN ERCC-6, MAGNESIUM ION | | Authors: | Newman, J.A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2014-03-28 | | Release date: | 2014-04-09 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the N-Terminal Colied-Coil Domain of Human DNA Excision Repair Protein Ercc-6
To be Published
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1YB5
 | | Crystal structure of human Zeta-Crystallin with bound NADP | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Debreczeni, J, Berridge, G, Kavanagh, K, Colbrook, S, Bray, J, Williams, L, Oppermann, U, Sundstrom, M, Arrowsmith, C, Edwards, A, Gileadi, O, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2004-12-20 | | Release date: | 2004-12-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of human Zeta-Crystallin at 1.85A
To be Published
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2UZC
 | | Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5 | | Authors: | Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D. | | Deposit date: | 2007-04-27 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms.
Protein Sci., 19, 2010
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2IIK
 | | Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1) | | Descriptor: | 3-ketoacyl-CoA thiolase, peroxisomal | | Authors: | Papagrigoriou, E, Johansson, C, Smee, C, Kavanagh, K, Pike, A.C.W, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-09-28 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)
TO BE PUBLISHED
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2HT9
 | | The structure of dimeric human glutaredoxin 2 | | Descriptor: | 12-mer peptide, FE2/S2 (INORGANIC) CLUSTER, GLUTATHIONE, ... | | Authors: | Johansson, C, Smee, C, Kavanagh, K.L, Debreczeni, J, von Delft, F, Gileadi, O, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-07-25 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reversible sequestration of active site cysteines in a 2Fe-2S-bridged dimer provides a mechanism for glutaredoxin 2 regulation in human mitochondria
J.Biol.Chem., 282, 2007
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