8Q34
| Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | Authors: | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein binding sites by photoreactive fragment pharmacophores. Commun Chem, 7, 2024
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3DLX
| 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
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8RU5
| ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2 | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-01-30 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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5R4H
| PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000287a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-24 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R4X
| XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13413a | Descriptor: | 1,2-ETHANEDIOL, 4-acetyl-N-ethylpiperazine-1-carboxamide, ATPase family AAA domain-containing protein 2, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-28 | Release date: | 2020-05-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | XChem fragment screen To Be Published
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5R4Y
| XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13612a | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-28 | Release date: | 2020-05-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | XChem fragment screen To Be Published
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5R4G
| PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000621a | Descriptor: | 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-24 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | PanDDA analysis group deposition To Be Published
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1HJE
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7ZMO
| Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-052 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G3-052, SULFATE 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: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
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7ZMT
| Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G5-006 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G5-006, 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: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
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7ZMV
| Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G5-006 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G5-006, SULFATE 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: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
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7ZMM
| Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2-001 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G2-001, 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: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
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7ZMN
| Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-048 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G3-048, SULFATE 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: | 2022-06-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
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7ZMP
| Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-055 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G3-055, 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: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.626 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
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7ZMR
| Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2*-011 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G2*-011, SULFATE 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: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
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7ZMQ
| Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2*-006 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G2*-006, SULFATE 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: | 2022-06-22 | 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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7ZML
| Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G1-001 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G1-001, SULFATE 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: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts 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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8CE9
| Crystal structure of human Cd11b I domain in C121 space group | Descriptor: | 1,2-ETHANEDIOL, Integrin alpha-M, SULFATE ION | Authors: | Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K. | Deposit date: | 2023-02-01 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structure of human Cd11b I domain in C121 space group To Be Published
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8CE6
| Crystal structure of human Cd11b I domain in P212121 space group | Descriptor: | CHLORIDE ION, GLYCEROL, Integrin alpha-M, ... | Authors: | Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K. | Deposit date: | 2023-02-01 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.582 Å) | Cite: | Crystal structure of human Cd11b I domain in P212121 space group To Be Published
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9GLE
| Jumonji domain-containing protein 2A with crystallization epitope mutations A91T:T93S | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-08-27 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To be published
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9FSB
| Coxsackievirus B3 3C protease in P121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-20 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Coxsackievirus B3 3C protease in P121 spacegroup To Be Published
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9FWC
| Coxsackievirus B3 3C protease in C121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-28 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
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9FQ2
| Poliovirus 3C protease in H32 spacegroup | Descriptor: | Protease 3C | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Poliovirus 3C protease in H32 spacegroup To Be Published
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9GII
| Jumonji domain-containing protein 2A with crystallization epitope mutation R913A | Descriptor: | GLYCEROL, Lysine-specific demethylase 4A, SULFATE ION | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-08-19 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To be published
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