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4UF0
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BU of 4uf0 by Molmil
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
6Q94
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BU of 6q94 by Molmil
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
2IZZ
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BU of 2izz by Molmil
Crystal structure of human pyrroline-5-carboxylate reductase
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRROLINE-5-CARBOXYLATE REDUCTASE 1
Authors:Pike, A.C.W, Guo, K, Kavanagh, K, Pilka, E.S, Berridge, G, Colebrook, S, Bray, J, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U.
Deposit date:2006-07-31
Release date:2006-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Human Pyrroline-5-Carboxylate Reductase
To be Published
2UYY
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BU of 2uyy by Molmil
Structure of the cytokine-like nuclear factor n-pac
Descriptor: N-PAC PROTEIN, POTASSIUM ION, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Authors:Tickle, J, Pilka, E.S, Bunkoczi, G, Berridge, G, Smee, C, Kavanagh, K.L, Hozjan, V, Niesen, F.H, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U.
Deposit date:2007-04-20
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structure of the Cytokine-Like Nuclear Factor N-Pac
To be Published
3CP6
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BU of 3cp6 by Molmil
Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor
Descriptor: (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Pilka, E.S, Dunford, J.E, Guo, K, Pike, A.C.W, von Delft, F, Barnett, B.L, Ebetino, F.H, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Russell, R.G.G, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2008-03-31
Release date:2008-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor.
To be Published
3DLX
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BU of 3dlx by Molmil
Crystal structure of human 3-oxoacid CoA transferase 1
Descriptor: GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase 1
Authors:Kavanagh, K.L, Shafqat, N, Yue, W.W, Picaud, S, Murray, J.W, Maclean, E.M, von Delft, F, Roos, A.K, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2008-06-30
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human 3-oxoacid CoA transferase 1.
To be Published
1T2A
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BU of 1t2a by Molmil
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
4UY4
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BU of 4uy4 by Molmil
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
2VD7
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BU of 2vd7 by Molmil
Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid
Descriptor: JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
Authors:Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U.
Deposit date:2007-10-01
Release date:2007-11-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
6YDV
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BU of 6ydv by Molmil
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
4D6Q
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BU of 4d6q by Molmil
crystal structure of human JMJD2D in complex with 2,4-PDCA
Descriptor: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, NICKEL (II) ION, ...
Authors:Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2014-11-14
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.292 Å)
Cite:Crystal Structure of Human Jmjd2D in Complex with 2,4-Pdca
To be Published
4D6R
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BU of 4d6r by Molmil
crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound o-toluenesulfonamide
Descriptor: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, N-OXALYLGLYCINE, ...
Authors:Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2014-11-14
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound O-Toluenesulfonamide
To be Published
4Q23
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BU of 4q23 by Molmil
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
7OCB
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BU of 7ocb by Molmil
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
4OGU
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BU of 4ogu by Molmil
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
6GPJ
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BU of 6gpj by Molmil
Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4F-Man
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, GDP-mannose 4,6 dehydratase, ...
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:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
6GPK
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BU of 6gpk by Molmil
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
6GPL
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BU of 6gpl by Molmil
Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4k6d-Man
Descriptor: 1,2-ETHANEDIOL, BICINE, GDP-mannose 4,6 dehydratase, ...
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 (1.76 Å)
Cite:A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
7R4N
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BU of 7r4n by Molmil
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
7R4O
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BU of 7r4o by Molmil
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
7R4P
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BU of 7r4p by Molmil
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
1XSE
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BU of 1xse by Molmil
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
1XG5
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BU of 1xg5 by Molmil
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
1YDE
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BU of 1yde by Molmil
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:2024-11-20
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
1YB1
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BU of 1yb1 by Molmil
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

238582

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