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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6Y84
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
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6YIK
 | | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand | | Descriptor: | (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP | | Authors: | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | Deposit date: | 2020-04-01 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
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6Y7H
 | | Structure of the BRD9 bromodomain and compound 11 | | Descriptor: | 1,2-ETHANEDIOL, 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9 | | Authors: | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-01 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the BRD9 bromodomain
To Be Published
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6Y7G
 | | Structure of the human RAB3C in complex with GDP | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Diaz-Saez, L, Jung, S, Raux, B, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-29 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the human RAB3C in complex with GDP
To Be Published
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6Y7I
 | | Structure of the BRD9 bromodomain and compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9 | | Authors: | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-01 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the BRD9 bromodomain and compound 2
To Be Published
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6Y7J
 | | Structure of the BRD9 bromodomain and compound 15 | | Descriptor: | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone, ACETATE ION, Bromodomain-containing protein 9, ... | | Authors: | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M. | | Deposit date: | 2020-03-01 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the BRD9 bromodomain
To Be Published
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6Y7K
 | | Structure of the BRD9 bromodomain and compound 27 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, SODIUM ION, ... | | Authors: | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M. | | Deposit date: | 2020-03-01 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of the BRD9 bromodomain
To Be Published
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1ZSV
 | | Crystal structure of human NADP-dependent leukotriene B4 12-hydroxydehydrogenase | | Descriptor: | CHLORIDE ION, NADP-dependent leukotriene B4 12-hydroxydehydrogenase | | Authors: | Turnbull, A.P, Johansson, C, Savitsky, P, Guo, K, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-05-25 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human NADP-dependent leukotriene B4 12-hydroxydehydrogenase
To be Published
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4MR4
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208) | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 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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7N7R
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267 | | Descriptor: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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1YXM
 | | Crystal structure of peroxisomal trans 2-enoyl CoA reductase | | Descriptor: | ADENINE, PHOSPHATE ION, SULFATE ION, ... | | Authors: | Jansson, A, Ng, S, Arrowsmith, C, Sharma, S, Edwards, A.M, Von Delft, F, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-02-22 | | Release date: | 2005-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of perixomal trans 2-enoyl CoA reductase (PECRA)
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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1Z83
 | | Crystal structure of human AK1A in complex with AP5A | | Descriptor: | Adenylate kinase 1, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, ... | | Authors: | Filippakopoulos, P, Bunkoczi, G, Jansson, A, Schreurs, A, Knapp, S, Edwards, A, von Delft, F, Sundstrom, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-03-29 | | Release date: | 2005-04-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human AK1A in complex with AP5A
To be Published
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1ZSY
 | | The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63) | | Descriptor: | GLYCEROL, MITOCHONDRIAL 2-ENOYL THIOESTER REDUCTASE, SULFATE ION | | Authors: | Lukacik, P, Shafqat, N, Kavanagh, K.L, Johansson, C, Smee, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-05-25 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63)
To be Published
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1ZSX
 | | Crystal Structure Of Human Potassium Channel Kv Beta-subunit (KCNAB2) | | Descriptor: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel beta-2 subunit | | Authors: | Wennerstrand, P, Johannsson, I, Ugochukwu, E, Kavanagh, K, Edwards, A, Arrowsmith, C, Williams, L, Sundstrom, M, Guo, K, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-05-25 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure Of Human Potassium Channel Kv Beta-subunit (KCNAB2)
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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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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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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7ZMS
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G4-043 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G4-043, ZINC ION | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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8A7N
 | | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125) | | Descriptor: | N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | | Deposit date: | 2022-06-21 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
To Be Published
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3CP6
 | | 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
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3DA2
 | | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor | | Descriptor: | CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ... | | Authors: | Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-28 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor.
To be Published
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3OP3
 | | Crystal Structure of Cell Division Cycle 25C Protein Isoform A from Homo sapiens | | Descriptor: | M-phase inducer phosphatase 3, SULFATE ION | | Authors: | Kim, Y, Weger, A, Hatzos, C, Savitsky, P, Johansson, C, Ball, L, Barr, A, Vollmar, M, Muniz, J, Weigelt, J, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, von Delft, F, Knapp, S, Joachimiak, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Crystal Structure of Cell Division Cycle 25C Protein Isoform A from Homo sapiens
TO BE PUBLISHED
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