8C7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c7j by Molmil](/molmil-images/mine/8c7j) | |
8C7V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c7v by Molmil](/molmil-images/mine/8c7v) | |
5FUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fuc by Molmil](/molmil-images/mine/5fuc) | Biophysical and cellular characterisation of a junctional epitope antibody that locks IL-6 and gp80 together in a stable complex: implications for new therapeutic strategies | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERLEUKIN-6, INTERLEUKIN-6 RECEPTOR SUBUNIT ALPHA, ... | Authors: | Adams, R, Griffin, R, Doyle, C, Ettorre, A. | Deposit date: | 2016-01-25 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of a junctional epitope antibody that stabilizes IL-6 and gp80 protein:protein interaction and modulates its downstream signaling. Sci Rep, 7, 2017
|
|
5FUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fuo by Molmil](/molmil-images/mine/5fuo) | |
5FUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fuz by Molmil](/molmil-images/mine/5fuz) | |
8RUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ruu by Molmil](/molmil-images/mine/8ruu) | Fabs derived from bimekizumab in complex with IL-17F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ... | Authors: | Adams, R, Lawson, A.D.G. | Deposit date: | 2024-01-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition. J Invest Dermatol., 2024
|
|
5NLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nlb by Molmil](/molmil-images/mine/5nlb) | Crystal structure of human CUL3 N-terminal domain bound to KEAP1 BTB and 3-box | Descriptor: | Cullin-3, Kelch-like ECH-associated protein 1 | Authors: | Adamson, R, Krojer, T, Pinkas, D.M, Bartual, S.G, Burgess-Brown, N.A, Borkowska, O, Chalk, R, Newman, J.A, Kopec, J, Dixon-Clarke, S.E, Mathea, S, Sethi, R, Velupillai, S, Mackinnon, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2017-04-04 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Structural and biochemical characterization establishes a detailed understanding of KEAP1-CUL3 complex assembly. Free Radic Biol Med, 204, 2023
|
|
6Z36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z36 by Molmil](/molmil-images/mine/6z36) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2020-05-19 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 To Be Published
|
|
6SZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6szm by Molmil](/molmil-images/mine/6szm) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-02 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
|
|
6T6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t6d by Molmil](/molmil-images/mine/6t6d) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 | Descriptor: | 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-18 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
|
|
6SRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6srh by Molmil](/molmil-images/mine/6srh) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-09-05 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 To Be Published
|
|
7A21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a21 by Molmil](/molmil-images/mine/7a21) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2020-08-14 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153 To Be Published
|
|
6T8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t8n by Molmil](/molmil-images/mine/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
|
|
5F72
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f72 by Molmil](/molmil-images/mine/5f72) | De novo design and crystallographic validation of antibodies targeting a pre-selected epitope | Descriptor: | Kelch-like ECH-associated protein 1, Single chain Fv from a Fab | Authors: | Liu, X, Taylor, R.D, Griffin, L, Coker, S, Adams, R, Ceska, T, Shi, J, Lawson, A.D.G, Baker, T. | Deposit date: | 2015-12-07 | Release date: | 2016-12-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | De novo design and crystallographic validation of antibodies targeting a pre-selected epitope To Be Published
|
|
7EAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ead by Molmil](/molmil-images/mine/7ead) | Crystal structure of beta-sheet cytochrome c prime from Thermus thermophilus. | Descriptor: | Cytochrome_P460 domain-containing protein, HEME C | Authors: | Yoshimi, T, Fujii, S, Oki, H, Igawa, T, Adams, R.H, Ueda, K, Kawahara, K, Ohkubo, T, Hough, A.M, Sambongi, Y. | Deposit date: | 2021-03-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of thermally stable homodimeric cytochrome c'-beta from Thermus thermophilus. Acta Crystallogr.,Sect.F, 78, 2022
|
|
4CNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cni by Molmil](/molmil-images/mine/4cni) | Crystal structure of the Fab portion of Olokizumab in complex with IL- 6 | Descriptor: | INTERLEUKIN-6, OLOKIZUMAB HEAVY CHAIN, FAB PORTION, ... | Authors: | Shaw, S, Bourne, T, Meier, C, Carrington, B, Gelinas, R, Henry, A, Popplewell, A, Adams, R, Baker, T, Rapecki, S, Marshall, D, Neale, H, Lawson, A. | Deposit date: | 2014-01-22 | Release date: | 2014-04-30 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Characterization of Olokizumab: A Humanized Antibody Targeting Interleukin-6 and Neutralizing Gp130-Signaling. Mabs, 6, 2014
|
|
5L6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l6w by Molmil](/molmil-images/mine/5l6w) | Structure Of the LIMK1-ATPgammaS-CFL1 Complex | Descriptor: | Cofilin-1, LIM domain kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Salah, E, Mathea, S, Oerum, S, Newman, J.A, Tallant, C, Adamson, R, Canning, P, Beltrami, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Bullock, A.N. | Deposit date: | 2016-05-31 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure Of the LIMK1-ATPgammaS-CFL1 Complex To Be Published
|
|
5G3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g3q by Molmil](/molmil-images/mine/5g3q) | Crystal structure of a hypothetical domain in WNK1 | Descriptor: | WNK1 | Authors: | Pinkas, D.M, Bufton, J.C, Sanvitale, C.E, Bartual, S.G, Adamson, R.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2016-04-29 | Release date: | 2017-05-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.613 Å) | Cite: | Crystal Structure of a Hypothetical Domain in Wnk1 To be Published
|
|
3L0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l0h by Molmil](/molmil-images/mine/3l0h) | Crystal Structure Analysis of W21A mutant of human GSTA1-1 in complex with S-hexylglutathione | Descriptor: | Glutathione S-transferase A1, S-HEXYLGLUTATHIONE | Authors: | Fanucchi, S, Achilonu, I.A, Adamson, R.J, Fernandes, M.A, Burke, J.P, Dirr, H.W. | Deposit date: | 2009-12-10 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Stability of the domain interface contributes towards the catalytic function at the H-site of class alpha glutathione transferase A1-1. Biochim.Biophys.Acta, 1804, 2010
|
|
3O3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o3t by Molmil](/molmil-images/mine/3o3t) | Crystal Structure Analysis of M32A mutant of human CLIC1 | Descriptor: | Chloride intracellular channel protein 1 | Authors: | Fanucchi, S, Achilonu, I.A, Adamson, R.J, Fernandes, M.A, Stoychev, S, Dirr, H.W. | Deposit date: | 2010-07-26 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure Analysis of M32A mutant of human CLIC1 To be Published
|
|
5S7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s7n by Molmil](/molmil-images/mine/5s7n) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a | Descriptor: | 1,2-ETHANEDIOL, 1H-imidazol-2-amine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
|
|
5S7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s7w by Molmil](/molmil-images/mine/5s7w) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with HM000007h | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | XChem group deposition To Be Published
|
|
5S7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s7y by Molmil](/molmil-images/mine/5s7y) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a | Descriptor: | (2S,4R)-1,3-thiazolidine-2,4-diamine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | XChem group deposition To Be Published
|
|
5S84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s84 by Molmil](/molmil-images/mine/5s84) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010949a | Descriptor: | 1,2-ETHANEDIOL, 1-[(4R)-1,3-oxazolidin-4-yl]methanamine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | XChem group deposition To Be Published
|
|
5S8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s8a by Molmil](/molmil-images/mine/5s8a) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b | Descriptor: | (4S)-imidazolidine-4-carbonitrile, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
|
|