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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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
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2XVC
 | | Molecular and structural basis of ESCRT-III recruitment to membranes during archaeal cell division | | Descriptor: | CADMIUM ION, CDVA, SSO0911, ... | | Authors: | Samson, R.Y, Obita, T, Hodgson, B, Shaw, M.K, Chong, P.L, Williams, R.L, Bell, S.D. | | Deposit date: | 2010-10-25 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular and Structural Basis of Escrt-III Recruitment to Membranes During Archaeal Cell Division.
Mol.Cell, 41, 2011
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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
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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
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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
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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
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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
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1YZ1
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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
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2W2U
 | | STRUCTURAL INSIGHT INTO THE INTERACTION BETWEEN ARCHAEAL ESCRT-III AND AAA-ATPASE | | Descriptor: | CONSERVED ARCHAEAL PROTEIN, HYPOTHETICAL P60 KATANIN | | Authors: | Obita, T, Samson, R.Y, Perisic, O, Freund, S.M, Bell, S.D, Williams, R.L. | | Deposit date: | 2008-11-04 | | Release date: | 2009-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Role for the Escrt System in Cell Division in Archaea.
Science, 322, 2008
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2TMP
 | | N-TERMINAL DOMAIN OF TISSUE INHIBITOR OF METALLOPROTEINASE-2 (N-TIMP-2), NMR, 49 STRUCTURES | | Descriptor: | TISSUE INHIBITOR OF METALLOPROTEINASES-2 | | Authors: | Muskett, F.W, Frenkiel, T.A, Feeney, J, Freedman, R.B, Carr, M.D, Williamson, R.A. | | Deposit date: | 1998-05-26 | | Release date: | 1998-12-09 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | High resolution structure of the N-terminal domain of tissue inhibitor of metalloproteinases-2 and characterization of its interaction site with matrix metalloproteinase-3.
J.Biol.Chem., 273, 1998
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1WA8
 | | Solution Structure of the CFP-10.ESAT-6 Complex. Major Virulence Determinants of Pathogenic Mycobacteria | | Descriptor: | 6 KDA EARLY SECRETORY ANTIGENIC TARGET (ESAT-6), ESAT-6 LIKE PROTEIN ESXB | | Authors: | Renshaw, P.S, Lightbody, K.L, Veverka, V, Muskett, F.W, Kelly, G, Frenkiel, T.A, Gordon, S.V, Hewinson, R.G, Burke, B, Norman, J, Williamson, R.A, Carr, M.D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-10-25 | | Release date: | 2005-06-27 | | Last modified: | 2019-08-21 | | Method: | SOLUTION NMR | | Cite: | Structure and Function of the Complex Formed by the Tuberculosis Virulence Factors Cfp-10 and Esat-6
Embo J., 24, 2005
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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
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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
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1NYO
 | | Solution structure of the antigenic TB protein MPT70/MPB70 | | Descriptor: | Immunogenic protein MPT70 | | Authors: | Bloemink, M.J, Dentten, E, Hewinson, R.G, Williamson, R.A, Carr, M.D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-02-13 | | Release date: | 2003-08-19 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Mycobacterium tuberculosis complex protein MPB70: from tuberculosis pathogenesis to inherited human corneal desease
J.Biol.Chem., 278, 2003
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6CQG
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1CU4
 | | CRYSTAL STRUCTURE OF THE ANTI-PRION FAB 3F4 IN COMPLEX WITH ITS PEPTIDE EPITOPE | | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, RECOGNITION PEPTIDE | | Authors: | Kanyo, Z.F, Pan, K.M, Williamson, R.A, Burton, D.R, Prusiner, S.B, Fletterick, R.J, Cohen, F.E. | | Deposit date: | 1999-08-20 | | Release date: | 2000-04-17 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Antibody binding defines a structure for an epitope that participates in the PrPC-->PrPSc conformational change.
J.Mol.Biol., 293, 1999
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1CR9
 | | CRYSTAL STRUCTURE OF THE ANTI-PRION FAB 3F4 | | Descriptor: | FAB ANTIBODY HEAVY CHAIN, FAB ANTIBODY LIGHT CHAIN | | Authors: | Kanyo, Z.F, Pan, K.M, Williamson, R.A, Burton, D.R, Prusiner, S.B, Fletterick, R.J, Cohen, F.E. | | Deposit date: | 1999-08-14 | | Release date: | 2000-04-17 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Antibody binding defines a structure for an epitope that participates in the PrPC-->PrPSc conformational change.
J.Mol.Biol., 293, 1999
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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
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5S75
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a | | Descriptor: | 1,2-ETHANEDIOL, 1~{H}-1,2,3-triazole, 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
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2L4C
 | | Solution Structure of the b domain of Human ERp27 | | Descriptor: | Endoplasmic reticulum resident protein 27 | | Authors: | Amin, N.T, Wallis, K, Rowe, M.L, Kelly, G, Frenkiel, T.A, Williamson, R.A, Howard, M.J, Freedman, R.B. | | Deposit date: | 2010-10-03 | | Release date: | 2010-11-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of the b domain of human ERp27
To be Published
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5S7B
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d | | Descriptor: | (3R)-thiolane-3-carboxylic acid, 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 (1.32 Å) | | Cite: | XChem group deposition
To Be Published
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5S7E
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a | | Descriptor: | (3R)-1,2-oxazolidine-3-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 (1.32 Å) | | Cite: | XChem group deposition
To Be Published
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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
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