6GI4
 
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6GU3
 | | CDK1/CyclinB/Cks2 in complex with AZD5438 | | Descriptor: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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2VNK
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6GXX
 | | Fab fragment of an antibody selective for alpha-1-antitrypsin in the native conformation | | Descriptor: | FAB 1D9 heavy chain, FAB 1D9 light chain, MAGNESIUM ION | | Authors: | Elliston, E.L.K, Miranda, E, Perez, J, Lomas, D.A, Irving, J.A. | | Deposit date: | 2018-06-27 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin
To Be Published
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6GY4
 | | Crystal structure of the N-terminal KH domain of human BICC1 | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, CHLORIDE ION, Protein bicaudal C homolog 1, ... | | Authors: | Newman, J.A, Katis, V.L, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2018-06-28 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Crystal structure of the N-terminal KH domain of human BICC1
To Be Published
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6GU2
 | | CDK1/CyclinB/Cks2 in complex with Flavopiridol | | Descriptor: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6GUB
 | | CDK2/CyclinA in complex with Flavopiridol | | Descriptor: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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7A1F
 | | Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ... | | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-08-12 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
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6H3A
 | | Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain. | | Descriptor: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta, ZINC ION | | Authors: | Newman, J.A, Aitkenhead, H, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2018-07-17 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (5.505 Å) | | Cite: | A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin.
Structure, 27, 2019
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6GL8
 | | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | | Descriptor: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | Authors: | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | | Deposit date: | 2018-05-23 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
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7A2D
 | | Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site | | Descriptor: | Uncharacterized protein YraP | | Authors: | Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R. | | Deposit date: | 2020-08-17 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation.
Elife, 9, 2020
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6GNT
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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7ABS
 | | Structure of human DCLRE1C/Artemis in complex with DNA - re-evaluation of 6WO0 | | Descriptor: | DNA (5'-D(*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*GP*CP*T)-3'), Protein artemis, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-08 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
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6ZSL
 | | Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution | | Descriptor: | PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-07-15 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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6Z67
 | | FtsE structure of Streptococcus pneumoniae in complex with AMPPNP at 2.4 A resolution | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, j.A. | | Deposit date: | 2020-05-28 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
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6I4O
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6GNS
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand | | Descriptor: | Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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7A6G
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6GUK
 | | CDK2 in complex with CGP74514A | | Descriptor: | Cyclin-dependent kinase 2, ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6H3E
 | | Receptor-bound Ghrelin conformation | | Descriptor: | Appetite-regulating hormone, octan-1-amine | | Authors: | Ferre, G, Damian, M, M'Kadmi, C, Saurel, O, Czaplicki, G, Demange, P, Marie, J, Fehrentz, J.A, Baneres, J.L, Milon, A. | | Deposit date: | 2018-07-18 | | Release date: | 2019-07-24 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of G protein-coupled receptor-bound ghrelin reveal the critical role of the octanoyl chain.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6Z63
 | | FtsE structure from Streptococus pneumoniae in complex with ADP at 1.57 A resolution (spacegroup P 21) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE | | Authors: | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, J.A. | | Deposit date: | 2020-05-27 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
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6ZAD
 | | PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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7AAL
 | | Crystal structure of the F-BAR domain of PSTIPIP1, G258A mutant | | Descriptor: | Proline-serine-threonine phosphatase-interacting protein 1 | | Authors: | Manso, J.A, Alcon, P, Bayon, Y, Alonso, A, de Pereda, J.M. | | Deposit date: | 2020-09-04 | | Release date: | 2022-02-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | PSTPIP1-LYP phosphatase interaction: structural basis and implications for autoinflammatory disorders.
Cell.Mol.Life Sci., 79, 2022
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7AAM
 | | Crystal structure of the F-BAR domain of PSTIPIP1 bound to the CTH domain of the phosphatase LYP | | Descriptor: | GLYCEROL, Proline-serine-threonine phosphatase-interacting protein 1, Tyrosine-protein phosphatase non-receptor type 22 | | Authors: | Manso, J.A, Alcon, P, Bayon, Y, Alonso, A, de Pereda, J.M. | | Deposit date: | 2020-09-04 | | Release date: | 2022-02-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | PSTPIP1-LYP phosphatase interaction: structural basis and implications for autoinflammatory disorders.
Cell.Mol.Life Sci., 79, 2022
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3EH4
 | | Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus | | Descriptor: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. | | Deposit date: | 2008-09-11 | | Release date: | 2009-04-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
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