6RA5
| Human tnik in complex with compound 9 | Descriptor: | 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase | Authors: | Read, J.A. | Deposit date: | 2019-04-05 | Release date: | 2020-05-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase To Be Published
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8BOX
| LSD1-CoREST in complex with AW4 and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-15 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8BOP
| LSD1-CoREST in complex with AW4, long soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-15 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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5GHW
| Crystal structure of broad neutralizing antibody 10E8 with long epitope bound | Descriptor: | Endogenous retrovirus group K member 8 Env polyprotein, FAB 10E8 HEAVY CHAIN, FAB 10E8 LIGHT CHAIN, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Morante, K, Nieva, J.L, Tsumoto, K. | Deposit date: | 2016-06-21 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for broad neutralization of HIV-1 through the molecular recognition of 10E8 helical epitope at the membrane interface Sci Rep, 6, 2016
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5WGV
| Crystal Structure of MalA' C112S/C128S, premalbrancheamide complex | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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6C48
| Crystal structure of B-Myb-LIN9-LIN52 complex | Descriptor: | Myb-related protein B, Protein lin-52 homolog, Protein lin-9 homolog, ... | Authors: | Guiley, K.Z, Tripathi, S.M, Rubin, S.M. | Deposit date: | 2018-01-11 | Release date: | 2018-09-19 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural mechanism of Myb-MuvB assembly. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8BTM
| Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GdmF | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2022-11-29 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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6RCE
| Pmar-Lig_PreS3 | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*TP*TP*CP*CP*GP*AP*CP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | Authors: | Leiros, H.K.S, Williamson, A. | Deposit date: | 2019-04-11 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation. Nucleic Acids Res., 47, 2019
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6H6N
| UbiJ-SCP2 Ubiquinone synthesis protein | Descriptor: | CALCIUM ION, TERBIUM(III) ION, Ubiquinone biosynthesis protein UbiJ | Authors: | Fyfe, C.D, Legrand, P, Pecqueur, L, Ciccone, L, Lombard, M, Fontecave, M. | Deposit date: | 2018-07-28 | Release date: | 2019-02-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A Soluble Metabolon Synthesizes the Isoprenoid Lipid Ubiquinone. Cell Chem Biol, 26, 2019
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8SX0
| Bordetella filamentous hemagglutinin (FhaB) C-terminal domain | Descriptor: | CALCIUM ION, Filamentous hemagglutinin, GLYCEROL, ... | Authors: | Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Costello, M.S. | Deposit date: | 2023-05-19 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bordetella filamentous hemagglutinin (FhaB) C-terminal domain To Be Published
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5HWO
| MvaS in complex with 3-hydroxy-3-methylglutaryl coenzyme A | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ... | Authors: | Bock, T, Kasten, J, Blankenfeldt, W. | Deposit date: | 2016-01-29 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus. Chembiochem, 17, 2016
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6R5R
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8BWI
| Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 2 | Descriptor: | Twisted gastrulation protein homolog 1 | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | Deposit date: | 2022-12-06 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation. Nat Commun, 15, 2024
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8BWA
| Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with platinum | Descriptor: | PLATINUM (II) ION, Twisted gastrulation protein homolog 1 | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | Deposit date: | 2022-12-06 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation. Nat Commun, 15, 2024
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8BWL
| Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | Deposit date: | 2022-12-06 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation. Nat Commun, 15, 2024
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6IFI
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6H7E
| GEF regulatory domain | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cDNA FLJ56134, ... | Authors: | Ferrandez, Y, Cherfils, J, Peurois, F. | Deposit date: | 2018-07-31 | Release date: | 2020-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Membranes prime the RapGEF EPAC1 to transduce cAMP signaling. Nat Commun, 14, 2023
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8BWM
| Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4042 eV) | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | Deposit date: | 2022-12-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation. Nat Commun, 15, 2024
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6H7L
| ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST DOBUTAMINE AND NANOBODY Nb6B9 | Descriptor: | Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, DOBUTAMINE, ... | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2018-07-31 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis for high-affinity agonist binding in GPCRs. Science, 364, 2019
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8BWN
| Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV) | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | Deposit date: | 2022-12-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation. Nat Commun, 15, 2024
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5WD7
| Structure of a bacterial polysialyltransferase in complex with fondaparinux | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, SULFATE ION, SiaD | Authors: | Worrall, L.J, Lizak, C, Strynadka, N.C.J. | Deposit date: | 2017-07-04 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | X-ray crystallographic structure of a bacterial polysialyltransferase provides insight into the biosynthesis of capsular polysialic acid. Sci Rep, 7, 2017
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5HPR
| Insulin with proline analog HyP at position B28 in the T2 state | Descriptor: | GLYCEROL, Insulin A-Chain, Insulin B-Chain, ... | Authors: | Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. | Deposit date: | 2016-01-21 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation. J. Am. Chem. Soc., 139, 2017
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5HXZ
| Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, CHLORIDE ION, ... | Authors: | Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C. | Deposit date: | 2016-01-31 | Release date: | 2017-02-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes. Appl. Environ. Microbiol., 83, 2017
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6R6Q
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5WI9
| Crystal structure of KL with an agonist Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ... | Authors: | Johnstone, S, Min, X, Wang, Z. | Deposit date: | 2017-07-18 | Release date: | 2018-07-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions. J. Biol. Chem., 293, 2018
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