5LBA
 
 | | Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening. | | Descriptor: | 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ... | | Authors: | Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-15 | | Release date: | 2016-07-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
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4FR4
 | | Crystal structure of human serine/threonine-protein kinase 32A (YANK1) | | Descriptor: | 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A | | Authors: | Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-26 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
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2X4F
 | | The Crystal Structure of the human myosin light chain kinase LOC340156. | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine, MYOSIN LIGHT CHAIN KINASE FAMILY MEMBER 4, ... | | Authors: | Muniz, J.R.C, Mahajan, P, Rellos, P, Fedorov, O, Shrestha, B, Wang, J, Elkins, J.M, Daga, N, Cocking, R, Chaikuad, A, Krojer, T, Ugochukwu, E, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Gileadi, O, Knapp, S. | | Deposit date: | 2010-01-29 | | Release date: | 2010-02-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | The Crystal Structure of the Human Myosin Light Chain Kinase Loc340156
To be Published
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4NR2
 | | Crystal structure of STK4 (MST1) SARAH domain | | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 4 | | Authors: | Chaikuad, A, Krojer, T, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of STK4 (MST1) SARAH domain
To be Published
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4AVM
 | | Crystal structure of the N-BAR domain of human bridging integrator 2. | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BRIDGING INTEGRATOR 2 | | Authors: | Allerston, C.K, Krojer, T, Cooper, C.D.O, Vollmar, M, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | | Deposit date: | 2012-05-28 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal Structure of the N-Bar Domain of Human Bridging Integrator 2.
To be Published
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4BBQ
 | | Crystal structure of the CXXC and PHD domain of Human Lysine-specific Demethylase 2A (KDM2A)(FBXL11) | | Descriptor: | 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 2A, ZINC ION | | Authors: | Allerston, C.K, Watson, A.A, Edlich, C, Li, B, Chen, Y, Ball, L, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Laue, E.D, Gileadi, O. | | Deposit date: | 2012-09-27 | | Release date: | 2012-10-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal Structure of the Cxxc and Phd Domain of Human Lysine-Specific Demethylase 2A (Kdm2A)(Fbxl11)
To be Published
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4A60
 | | Crystal structure of human testis-specific fatty acid binding protein 9 (FABP9) | | Descriptor: | 1,2-ETHANEDIOL, FATTY ACID-BINDING PROTEIN 9 TESTIS LIPID-BINDING PROTEIN, TLBP, ... | | Authors: | Muniz, J.R.C, Kiyani, W, Shrestha, L, Froese, D.S, Krojer, T, Vollmar, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, von Delft, F, Yue, W.W. | | Deposit date: | 2011-10-31 | | Release date: | 2011-11-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | The Crystal Structure of the Human Fabp9A
To be Published
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4APF
 | | Crystal structure of the human KLHL11-Cul3 complex at 3.1A resolution | | Descriptor: | CULLIN 3, KELCH-LIKE PROTEIN 11 | | Authors: | Canning, P, Cooper, C.D.O, Krojer, T, Vollmar, M, Ugochukwu, E, Muniz, J.R.C, Ayinampudi, V, Savitsky, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-04-02 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 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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4AP2
 | | Crystal structure of the human KLHL11-Cul3 complex at 2.8A resolution | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CULLIN-3, ... | | Authors: | Canning, P, Cooper, C.D.O, Krojer, T, Filippakopoulos, P, Ayinampudi, V, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-03-30 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 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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4BC6
 | | Crystal structure of human serine threonine kinase-10 bound to novel Bosutinib Isoform 1, previously thought to be Bosutinib | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE, SERINE/THREONINE-PROTEIN KINASE 10 | | Authors: | Vollmar, M, Szklarz, M, Chaikuad, A, Elkins, J, Savitsky, P, Azeez, K.A, Salah, E, Krojer, T, Canning, P, Muniz, J.R.C, Bountra, C, Arrowsmith, C.H, von Delft, F, Weigelt, J, Edwards, A, Knapp, S. | | Deposit date: | 2012-10-01 | | Release date: | 2012-10-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Human Serine Threonine Kinase- 10 Bound to Novel Bosutinib Isoform 1, Previously Thought to be Bosutinib
To be Published
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3ZHP
 | | Human MST3 (STK24) in complex with MO25beta | | Descriptor: | CALCIUM-BINDING PROTEIN 39-LIKE, SERINE/THREONINE-PROTEIN KINASE 24, SULFATE ION | | Authors: | Elkins, J.M, Szklarz, M, Krojer, T, Mehellou, Y, Alessi, D.R, Chaikaud, A, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | Deposit date: | 2012-12-24 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Insights Into the Activation of Mst3 by Mo25.
Biochem.Biophys.Res.Commun., 431, 2013
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4B8Z
 | | Crystal structure of human GDP-L-fucose synthase with bound NADP and GDP, rhombohedral crystal form | | Descriptor: | GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Vollmar, M, Krojer, T, Shafqat, N, Rojkova, A, Bunkoczi, G, Yue, W.W, Kavanagh, K, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2012-08-31 | | Release date: | 2013-02-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Gdp, Rhombohedral Crystal Form
To be Published
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6Q94
 | | Crystal structure of human GDP-D-mannose 4,6-dehydratase (S156D) in complex with GDP-Man | | Descriptor: | 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | | 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: | 2018-12-17 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
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4DYL
 | | F-BAR domain of human FES tyrosine kinase | | Descriptor: | Tyrosine-protein kinase Fes/Fps | | Authors: | Ugochukwu, E, Salah, E, Elkins, J, Barr, A, Krojer, T, Filippakopoulos, P, Weigelt, J, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | F-BAR domain of human FES tyrosine kinase
TO BE PUBLISHED
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4DYM
 | | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 | | Descriptor: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ... | | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
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3II7
 | | Crystal structure of the kelch domain of human KLHL7 | | Descriptor: | 1,2-ETHANEDIOL, Kelch-like protein 7 | | Authors: | Chaikuad, A, Thangaratnarajah, C, Cooper, C.D.O, Ugochukwu, E, Muniz, J.R.C, Krojer, T, Sethi, R, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-31 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases.
J.Biol.Chem., 288, 2013
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4HAS
 | | Crystal structure of PX domain of human sorting nexin SNX27 | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Sorting nexin-27 | | Authors: | Froese, D.S, Krojer, T, Strain-Damerell, C, Allerston, C, Kiyani, W, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-09-27 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of PX domain of human sorting nexin SNX27
To be Published
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5LF9
 | | Crystal structure of human NUDT22 | | Descriptor: | Nucleoside diphosphate-linked moiety X motif 22 | | Authors: | Tallant, C, Siejka, P, Mathea, S, Shrestha, L, Krojer, T, Srikannathasan, V, Elkins, J.M, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-30 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of human NUDT22
To Be Published
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4B8W
 | | Crystal structure of human GDP-L-fucose synthase with bound NADP and GDP, tetragonal crystal form | | Descriptor: | GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Vollmar, M, Krojer, T, Shafqat, N, Rojkova, A, Bunkoczi, G, Pike, A, Chaikuat, A, Carpenter, E, Yue, W.W, Kavanagh, K, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2012-08-31 | | Release date: | 2012-11-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Gdp, Tetragonal Crystal Form
To be Published
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3K2J
 | | Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | | Descriptor: | CHLORIDE ION, Protein polybromo-1, SULFATE ION | | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Chaikuad, A, Pike, A.C.W, Krojer, T, Sethi, R, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-30 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
To be Published
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4NR7
 | | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | | 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, CREB-binding protein | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Krojer, T, Nowak, R, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published
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3I3N
 | | Crystal structure of the BTB-BACK domains of human KLHL11 | | Descriptor: | CHLORIDE ION, Kelch-like protein 11, THIOCYANATE ION | | Authors: | Murray, J.W, Cooper, C.D.O, Krojer, T, Mahajan, P, Salah, E, Keates, T, Savitsky, P, Pike, A.C.W, Roos, A, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-06-30 | | Release date: | 2009-08-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the BTB-BACK domains of human KLHL11
To be Published
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7GB6
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JOR-UNI-2fc98d0b-12 (Mpro-x10236) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GBN
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with RAL-MED-2de63afb-14 (Mpro-x10387) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GC2
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-93268d01-13 (Mpro-x10484) | | Descriptor: | 3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.731 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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