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 | 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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4UF0
| Crystal structure of JmjC domain of human histone demethylase UTY in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid. | Descriptor: | 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, FE (II) ION, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Tobias, K, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2014-12-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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4UY4
| 1.86 A structure of human Spindlin-4 protein in complex with histone H3K4me3 peptide | Descriptor: | GLYCEROL, HISTONE H3K4ME3, SPINDLIN-4 | Authors: | Talon, R, Gileadi, C, Johansson, C, Burgess-Brown, N, Shrestha, L, von Delft, F, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U. | Deposit date: | 2014-08-28 | Release date: | 2014-09-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.862 Å) | Cite: | 1.86 A Structure of Human Spindlin-4 Protein in Complex with Histone H3K4Me3 Peptide To be Published
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4Q23
| The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Kwaasi, A.A, Pilka, E.S, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, von Delft, F, Oppermann, U, Russell, R.G.G, Dunford, J.E. | Deposit date: | 2014-04-05 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates To be Published
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6YDV
| Crystal Structure of the Jmjc Domain of Human JMJD1B in complex with FM001511a from the DSPL fragment library | Descriptor: | CHLORIDE ION, JMJD1B protein, MANGANESE (II) ION, ... | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2020-03-21 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal Structure of the Jmjc Domain of Human JMJD1B in complex with FM001511a from the DSPL fragment library To Be Published
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7OCB
| Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine, CHLORIDE ION, ... | Authors: | Johansson, C, Krojer, T, Park, K, Xiong, Y, Jin, J, Oppermann, U. | Deposit date: | 2021-04-26 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B To Be Published
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5FPU
| Crystal structure of human JARID1B in complex with GSKJ1 | Descriptor: | 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Srikannathasan, V, Nowak, R, Johansson, C, 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 (2.24 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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7R4N
| Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, ... | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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7R4O
| Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one | Descriptor: | 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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7R4P
| Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione | Descriptor: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-09 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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1T2A
| Crystal structure of human GDP-D-mannose 4,6-dehydratase | Descriptor: | GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Walker, J.R, Vedadi, M, Sharma, S, Houston, S, Wasney, G, Loppnau, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Oppermann, U. | Deposit date: | 2004-04-20 | Release date: | 2004-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal Structure and Biophysical Characterization of Human GDP-D-mannose 4,6-dehydratase To be Published
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1XG5
| Structure of human putative dehydrogenase MGC4172 in complex with NADP | Descriptor: | ACETIC ACID, ARPG836, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Kavanagh, K, Ng, S, Sharma, S, Vedadi, M, von Delft, F, Walker, J.R, dhe Paganon, S, Bray, J, Oppermann, U, Edwards, A, Arrowsmith, C, Sundstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2004-09-16 | Release date: | 2004-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural Genomics Consortium: Structure of the putative human dehydrogenase MGC4172 To be Published
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1XSE
| Crystal Structure of Guinea Pig 11beta-Hydroxysteroid Dehydrogenase Type 1 | Descriptor: | 11beta-hydroxysteroid dehydrogenase type 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ogg, D, Elleby, B, Norstrom, C, Stefansson, K, Abrahmsen, L, Oppermann, U, Svensson, S. | Deposit date: | 2004-10-19 | Release date: | 2004-11-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of guinea pig 11beta-hydroxysteroid dehydrogenase type 1 provides a model for enzyme-lipid bilayer interactions J.Biol.Chem., 280, 2005
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1YDE
| Crystal Structure of Human Retinal Short-Chain Dehydrogenase/Reductase 3 | Descriptor: | Retinal dehydrogenase/reductase 3 | Authors: | Lukacik, P, Bunkozci, G, Kavanagh, K, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2004-12-23 | Release date: | 2005-01-18 | Last modified: | 2012-03-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and biochemical characterization of human orphan DHRS10 reveals a novel cytosolic enzyme with steroid dehydrogenase activity. Biochem.J., 402, 2007
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1YB1
| Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type XI | Descriptor: | 17-beta-hydroxysteroid dehydrogenase type XI, Androsterone, CHLORIDE ION, ... | Authors: | Lukacik, P, Bunkoczi, G, Kavanagh, K, Ng, S, von Delft, F, Bray, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2004-12-18 | Release date: | 2004-12-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type XI. 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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5FY8
| Crystal structure of human JMJD2A in complex with D-threo-isocitrate | Descriptor: | 1,2-ETHANEDIOL, 3-carboxy-2,3-dideoxy-D-erythro-pentaric acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2016-03-04 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.343 Å) | Cite: | Crystal Structure of Human Jmjd2A in Complex with D-Threo-Isocitrate To be Published
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5FZ1
| Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 2,4-dichloro-N-pyridin-3-ylbenzamide (E48115b) (ligand modelled based on PANDDA event map) | Descriptor: | 1,2-ETHANEDIOL, 2,4-dichloro-N-(pyridin-3-yl)benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-10 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with E48115B To be Published
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5A1F
| Crystal structure of the catalytic domain of PLU1 in complex with N-oxalylglycine. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Srikannathasan, V, Johansson, C, Strain-Damerell, C, Gileadi, C, Szykowska, A, Kupinska, K, Kopec, J, Krojer, T, Steuber, H, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-04-29 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5A3T
| Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid). | Descriptor: | 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-06-02 | Release date: | 2015-06-17 | Last modified: | 2016-06-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5A3P
| Crystal structure of the catalytic domain of human PLU1 (JARID1B). | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Tallant, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-06-02 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5A3W
| Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA) | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-06-03 | Release date: | 2015-06-17 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5NFJ
| Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Mitochondrial ribonuclease P protein 1, ... | Authors: | Oerum, S, Kopec, J, Fitzpatrick, F, Newman, J.A, Chalk, R, Shrestha, L, Fairhead, M, Talon, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, C, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2017-03-14 | Release date: | 2018-05-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM) To Be Published
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1ZX1
| Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954 | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, ... | Authors: | Jansson, A, Wu, X, Kavanagh, K, Kerr, D, Knox, R, Walton, R, Gunther, U, Ludwig, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-06 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954 To be Published
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3GGE
| Crystal structure of the PDZ domain of PDZ domain-containing protein GIPC2 | Descriptor: | GLYCEROL, PDZ domain-containing protein GIPC2, SULFATE ION | Authors: | Chaikuad, A, Hozjan, V, Yue, W, Cooper, C, Elkins, J, Pike, A.C.W, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-02-27 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the PDZ domain of PDZ domain-containing protein GIPC2 To be Published
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