6TSZ
 
 | | The ULK4 Pseudokinase Domain Bound To ATPgammaS | | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase ULK4 | | Authors: | Preuss, F, Chatterjee, D, Mathea, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2019-12-22 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nucleotide Binding, Evolutionary Insights, and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4.
Structure, 28, 2020
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2WEL
 | | Crystal structure of SU6656-bound calcium/calmodulin-dependent protein kinase II delta in complex with calmodulin | | Descriptor: | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Pike, A.C.W, Rellos, P, Salah, E, Burgess-Brown, N, Keates, T, Muniz, J, Sethi, R, Roos, A, Filippakopoulos, P, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Bountra, C, Knapp, S. | | Deposit date: | 2009-03-31 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
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6RV4
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, ... | | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-30 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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5FPV
 | | Crystal structure of human JMJD2A in complex with compound KDOAM20A | | Descriptor: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ... | | Authors: | Srikannathasan, V, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2015-12-03 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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6RV2
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-30 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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2WYA
 | | CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL 3-HYDROXY-3-METHYLGLUTARYL- COENZYME A SYNTHASE 2 (HMGCS2) | | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, GLYCEROL, HYDROXYMETHYLGLUTARYL-COA SYNTHASE, ... | | Authors: | Yue, W.W, Shafqat, N, Savitsky, P, Roos, A.K, Cooper, C, Murray, J.W, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-11-13 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of Human Hmg-Coa Synthase Isoforms Provide Insights Into Inherited Ketogenesis Disorders and Inhibitor Design.
J.Mol.Biol., 398, 2010
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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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5FH6
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 | | Descriptor: | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1 | | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | | Deposit date: | 2015-12-21 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
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4LEC
 | | Human Methyltransferase-Like Protein 21A | | Descriptor: | Protein-lysine methyltransferase METTL21A, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Zeng, H, Fenner, M, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | The Crystal Structure of Human Methyltransferase-Like Protein 21A in Complex with SAH
To be Published
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2WH5
 | | Crystal structure of human acyl-CoA binding domain 4 complexed with stearoyl-CoA | | Descriptor: | ACYL-COA-BINDING DOMAIN-CONTAINING PROTEIN 4, COENZYME A, STEARIC ACID, ... | | Authors: | Yue, W.W, Shafqat, N, Ugochukwu, E, Savitsky, P, Johansson, C, Salah, E, Roos, A.K, Chaikuad, A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-04-30 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Human Acyl-Coa Binding Domain 4
To be Published
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2WZ1
 | | STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN SOLUBLE GUANYLATE CYCLASE 1 BETA 3. | | Descriptor: | 1,2-ETHANEDIOL, GUANYLATE CYCLASE SOLUBLE SUBUNIT BETA-1 | | Authors: | Allerston, C.K, Cooper, C.D.O, Muniz, J, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2009-11-23 | | Release date: | 2009-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal Structures of the Catalytic Domain of Human Soluble Guanylate Cyclase.
Plos One, 8, 2013
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6R65
 | | Crystal Structure of human TMEM16K / Anoctamin 10 (Form 2) | | Descriptor: | Anoctamin-10, CALCIUM ION | | Authors: | Bushell, S.R, Pike, A.C.W, Chu, A, Tessitore, A, Rotty, B, Mukhopadhyay, S, Kupinska, K, Shrestha, L, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-26 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
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4AGU
 | | CRYSTAL STRUCTURE OF THE HUMAN CDKL1 KINASE DOMAIN | | Descriptor: | CYCLIN-DEPENDENT KINASE-LIKE 1, N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | | Authors: | Canning, P, Sharpe, T.D, Allerston, C, Savitsky, P, Pike, A.C.W, Muniz, J.R.C, Chaikuad, A, Kuo, K, Burgess-Brown, N, Ayinampudi, V, Zhang, Y, Thangaratnarajah, C, Ugochukwu, E, Vollmar, M, Krojer, T, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Knapp, S, Bullock, A. | | Deposit date: | 2012-01-31 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
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6RV3
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-30 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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6I2Y
 | | Human STK10 bound to Foretinib | | Descriptor: | N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, Serine/threonine-protein kinase 10 | | Authors: | Sorrell, F.J, Berger, B.-T, Oerum, S, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M. | | Deposit date: | 2018-11-02 | | Release date: | 2018-12-12 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Human STK10 bound to GW683134
To Be Published
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6R7X
 | | CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (2mM Ca2+, closed form) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-10, CALCIUM ION, ... | | Authors: | Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Baronina, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-29 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
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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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6R7Y
 | | CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (low Ca2+, closed form) | | Descriptor: | Anoctamin-10, CALCIUM ION | | Authors: | Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-29 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
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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
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2WUL
 | | CRYSTAL STRUCTURE OF THE HUMAN GLUTAREDOXIN 5 WITH BOUND GLUTATHIONE IN AN FES CLUSTER | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Roos, A.K, Johansson, C, Guo, K, Yue, W.W, Pike, A.C.W, Cooper, C.D.O, Pilka, E.S, Kavanagh, K.L, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-10-06 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Crystal Structure of Human Glrx5: Iron Sulphur Cluster Coordination, Tetrameric Assembly and Monomer Activity.
Biochem.J., 433, 2011
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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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6QAU
 | | Crystal structure of ULK2 in complexed with MRT67307 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
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6QB7
 | | Structure of the H1 domain of human KCTD16 | | Descriptor: | BTB/POZ domain-containing protein KCTD16, PHOSPHATE ION | | Authors: | Pinkas, D.M, Bufton, J.C, Williams, E.P, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-20 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structure of the H1 domain of human KCTD16
To be published
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6QAV
 | | Crystal structure of ULK2 in complexed with MRT68921 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SODIUM ION, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
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5E16
 | | Co-crystal structure of the N-termial cGMP binding domain of Plasmodium falciparum PKG with cGMP | | Descriptor: | CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE | | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-29 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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