5RAR
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![BU of 5rar by Molmil](/molmil-images/mine/5rar) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with TD000005c | Descriptor: | 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine, CHLORIDE ION, Lysine-specific demethylase 3B, ... | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2020-03-16 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RJL
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![BU of 5rjl by Molmil](/molmil-images/mine/5rjl) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024662 | Descriptor: | (4-bromo-2-methoxyphenyl)methanol, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RJZ
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![BU of 5rjz by Molmil](/molmil-images/mine/5rjz) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z755044716 | Descriptor: | N-ethyl-1H-1,2,3-triazole-4-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.275 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RK2
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![BU of 5rk2 by Molmil](/molmil-images/mine/5rk2) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z54633859 | Descriptor: | 2-[methyl(pyridin-2-yl)amino]ethan-1-ol, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.235 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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6I5H
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![BU of 6i5h by Molmil](/molmil-images/mine/6i5h) | Crystal structure of CLK1 in complex with furanopyrimidin VN412 | Descriptor: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ... | Authors: | Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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5RKF
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![BU of 5rkf by Molmil](/molmil-images/mine/5rkf) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1674937530 | Descriptor: | 2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.264 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RKV
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![BU of 5rkv by Molmil](/molmil-images/mine/5rkv) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z56877838 | Descriptor: | 2-(4-ethoxyphenyl)ethanoic acid, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.277 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RKK
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![BU of 5rkk by Molmil](/molmil-images/mine/5rkk) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z275181224 | Descriptor: | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5Q1T
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![BU of 5q1t by Molmil](/molmil-images/mine/5q1t) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000492a | Descriptor: | 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine, DNA cross-link repair 1A protein, MALONATE ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q32
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![BU of 5q32 by Molmil](/molmil-images/mine/5q32) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 30) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5RAB
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![BU of 5rab by Molmil](/molmil-images/mine/5rab) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001726a | Descriptor: | (2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide, CHLORIDE ION, Lysine-specific demethylase 3B, ... | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2020-03-16 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAS
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![BU of 5ras by Molmil](/molmil-images/mine/5ras) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS036302b | Descriptor: | 2-(4-phenylpiperidin-1-yl)ethanoic acid, CHLORIDE ION, Lysine-specific demethylase 3B, ... | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2020-03-16 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5R5U
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![BU of 5r5u by Molmil](/molmil-images/mine/5r5u) | PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1545312521 | Descriptor: | (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5RJT
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![BU of 5rjt by Molmil](/molmil-images/mine/5rjt) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z404993336 | Descriptor: | 5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.169 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RK8
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![BU of 5rk8 by Molmil](/molmil-images/mine/5rk8) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z53116498 | Descriptor: | 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.272 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RKJ
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![BU of 5rkj by Molmil](/molmil-images/mine/5rkj) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z373768898 | Descriptor: | N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RJR
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![BU of 5rjr by Molmil](/molmil-images/mine/5rjr) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z45705015 | Descriptor: | PH-interacting protein, ~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RK7
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![BU of 5rk7 by Molmil](/molmil-images/mine/5rk7) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z31721097 | Descriptor: | PH-interacting protein, ethyl morpholine-4-carboxylate | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.304 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RKP
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![BU of 5rkp by Molmil](/molmil-images/mine/5rkp) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1079512010 | Descriptor: | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | Deposit date: | 2020-06-02 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5R60
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![BU of 5r60 by Molmil](/molmil-images/mine/5r60) | PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z19735067 | Descriptor: | 2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | PanDDA analysis group deposition To Be Published
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3D7C
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![BU of 3d7c by Molmil](/molmil-images/mine/3d7c) | Crystal structure of the bromodomain of human GCN5, the general control of amino-acid synthesis protein 5-like 2 | Descriptor: | General control of amino acid synthesis protein 5-like 2 | Authors: | Filippakopoulos, P, Eswaran, J, Picaud, S, Fedorov, O, Murray, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-21 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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3CEQ
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![BU of 3ceq by Molmil](/molmil-images/mine/3ceq) | The TPR domain of Human Kinesin Light Chain 2 (hKLC2) | Descriptor: | Kinesin light chain 2 | Authors: | Zhu, H, Shen, Y, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-29 | Release date: | 2008-08-12 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The TPR domain of Human Kinesin Light Chain 2 (hKLC2) To be Published
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5RAE
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![BU of 5rae by Molmil](/molmil-images/mine/5rae) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001558a | Descriptor: | 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid, CHLORIDE ION, Lysine-specific demethylase 3B, ... | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2020-03-16 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAV
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![BU of 5rav by Molmil](/molmil-images/mine/5rav) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001763a | Descriptor: | CHLORIDE ION, Lysine-specific demethylase 3B, 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: | 2020-03-16 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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4NR6
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![BU of 4nr6 by Molmil](/molmil-images/mine/4nr6) | Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand | Descriptor: | 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand To be Published
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