6TN0
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TN4
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, Heat shock protein HSP 90-alpha | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.274 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6T8N
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | Authors: | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-24 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 To Be Published
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6TMQ
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TMZ
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TN2
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.768 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TN5
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | CHLORIDE ION, Heat shock protein HSP 90-alpha, ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.165 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TN8
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ... | Authors: | Williams, E.P, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-12-06 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 To Be Published
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3RAW
| Crystal Structure of human CDC-like kinase 3 isoform in complex with leucettine L41 | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Dual specificity protein kinase CLK3 | Authors: | Filippakopoulos, P, Fedorov, O, King, O, Debdab, M, Carreaux, F, Renault, S, Bullock, A, Muniz, J.R.C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Meijer, L, Bazureau, J.P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-03-28 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of human CDC-like kinase 3 isoform with a benzo-dioxol ligand To be Published
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2AR7
| Crystal structure of human adenylate kinase 4, AK4 | Descriptor: | Adenylate kinase 4 | Authors: | Filippakopoulos, P, Turnbull, A.P, Fedorov, O, Weigelt, J, Bunkoczi, G, Ugochukwu, E, Debreczeni, J, Niesen, F, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-19 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of human adenylate kinase 4, AK4 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: | 2024-01-31 | 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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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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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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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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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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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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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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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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2HW5
| The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1 | Descriptor: | CROTONYL COENZYME A, Enoyl-CoA hydratase, MAGNESIUM ION | Authors: | Turnbull, A.P, Salah, E, Niesen, F, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Kavanagh, K, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-07-31 | Release date: | 2006-08-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1 To be Published
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3ISQ
| Crystal structure of human 4-Hydroxyphenylpyruvate dioxygenase | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, CHLORIDE ION, ... | Authors: | Pilka, E.S, Shafqat, N, Cocking, R, Bray, J.E, Krojer, T, Pike, A.C.W, von Delft, F, Yue, W.W, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-27 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of human 4-Hydroxyphenylpyruvate dioxygenase to be published
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3II7
| Crystal structure of the kelch domain of human KLHL7 | Descriptor: | 1,2-ETHANEDIOL, Kelch-like protein 7 | Authors: | Chaikuad, A, Thangaratnarajah, C, Cooper, C.D.O, Ugochukwu, E, Muniz, J.R.C, Krojer, T, Sethi, R, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-31 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases. J.Biol.Chem., 288, 2013
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8PN6
| Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus | Descriptor: | Genome polyprotein, Serine protease subunit NS2B | Authors: | Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus To Be Published
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2XDV
| Crystal Structure of the Catalytic Domain of FLJ14393 | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ... | Authors: | Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | Deposit date: | 2010-05-07 | Release date: | 2010-05-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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