7QEF
 
 | | Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-02 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QEA
 | | Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | Descriptor: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QE1
 | | Crystal structure of apo SN243 | | Descriptor: | SN243, ZINC ION | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QEE
 | | SN243 mutant D415N bound to para-nitrophenyl-Beta-D-glucuronide | | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, SN243, SULFATE ION, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-02 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7OOT
 | | X-ray Structure of Interferon Regulatory Factor 4 DNA binding domain bound to an interferon-stimulated response element | | Descriptor: | DNA (5'-D(P*AP*GP*CP*TP*TP*TP*CP*TP*CP*GP*GP*TP*TP*TP*CP*AP*GP*TP*TP*G)-3'), DNA (5'-D(P*TP*CP*AP*AP*CP*TP*GP*AP*AP*AP*CP*CP*GP*AP*GP*AP*AP*AP*GP*C)-3'), Interferon regulatory factor 4, ... | | Authors: | Agnarelli, A, El Omari, K, Alt, A.O, Mancini, E.J. | | Deposit date: | 2021-05-28 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | X-ray Structure of Interferon Regulatory Factor 4 DNA binding domain bound to interferon-stimulated response element
To Be Published
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7PGL
 | | HHIP-N, the N-terminal domain of the Hedgehog-Interacting Protein (HHIP), apo-form | | Descriptor: | Hedgehog-interacting protein | | Authors: | Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C. | | Deposit date: | 2021-08-14 | | Release date: | 2021-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
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7PGK
 | | HHIP-N, the N-terminal domain of the Hedgehog-Interacting Protein (HHIP), in complex with glycosaminoglycan mimic SOS | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Hedgehog-interacting protein | | Authors: | Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C. | | Deposit date: | 2021-08-14 | | Release date: | 2021-12-15 | | Last modified: | 2021-12-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
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7PGM
 | | HHIP-C in complex with heparin | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-3)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hedgehog-interacting protein | | Authors: | Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C. | | Deposit date: | 2021-08-14 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
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7PGN
 | | HHP-C in complex with glycosaminoglycan mimic SOS | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C. | | Deposit date: | 2021-08-14 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
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6RTY
 | | Crystal structure of the Patched ectodomain in complex with nanobody NB64 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Llama-derived nanobody NB64, Protein patched homolog 1 | | Authors: | Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | | Deposit date: | 2019-05-27 | | Release date: | 2019-10-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
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2J87
 | | Structure of vaccinia virus thymidine kinase in complex with dTTP: insights for drug design | | Descriptor: | MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ... | | Authors: | El Omari, K, Solaroli, N, Karlsson, A, Balzarini, J, Stammers, D.K. | | Deposit date: | 2006-10-23 | | Release date: | 2006-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of Vaccinia Virus Thymidine Kinase in Complex with Dttp: Insights for Drug Design.
Bmc Struct.Biol., 6, 2006
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2J41
 | | Crystal structure of Staphylococcus aureus guanylate monophosphate kinase | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, GUANYLATE KINASE, POTASSIUM ION, ... | | Authors: | El Omari, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2006-08-24 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Staphylococcus Aureus Guanylate Monophosphate Kinase
Acta Crystallogr.,Sect.F, 62, 2006
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6RTX
 | | Crystal structure of the Patched-1 (PTCH1) ectodomain 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1 | | Authors: | Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | | Deposit date: | 2019-05-27 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
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6RVD
 | | Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | | Deposit date: | 2019-05-31 | | Release date: | 2019-10-02 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
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2C5U
 | | T4 RNA Ligase (Rnl1) Crystal Structure | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | Authors: | El Omari, K, Ren, J, Bird, L.E, Bona, M.K, Klarmann, G, LeGrice, S.F.J, Stammers, D.K. | | Deposit date: | 2005-11-01 | | Release date: | 2005-11-04 | | Last modified: | 2012-09-12 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Molecular Architecture and Ligand Recognition Determinants for T4 RNA Ligase
J.Biol.Chem., 281, 2006
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2J0F
 | | Structural basis for non-competitive product inhibition in human thymidine phosphorylase: implication for drug design | | Descriptor: | THYMIDINE PHOSPHORYLASE, THYMINE | | Authors: | El Omari, K, Bronckaers, A, Liekens, S, Perez-Perez, M.J, Balzarini, J, Stammers, D.K. | | Deposit date: | 2006-08-02 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural Basis for Non-Competitive Product Inhibition in Human Thymidine Phosphorylase: Implications for Drug Design.
Biochem.J., 399, 2006
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2BKA
 | | CC3(TIP30)Crystal Structure | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | El Omari, K, Bird, L.E, Nichols, C.E, Ren, J, Stammers, D.K. | | Deposit date: | 2005-02-14 | | Release date: | 2005-02-21 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Cc3 (Tip30): Implications for its Role as a Tumor Suppressor
J.Biol.Chem., 280, 2005
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8AYG
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7ACX
 | | H/L (SLPH/SLPL) complex from C. difficile (R7404 strain) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S-layer protein, SULFATE ION | | Authors: | Lanzoni-Mangutchi, P, Barwinska-Sendra, A, Basle, A, El Omari, K, Wagner, A, Salgado, P.S. | | Deposit date: | 2020-09-11 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure and assembly of the S-layer in C. difficile.
Nat Commun, 13, 2022
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6JJH
 | | Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4 | | Descriptor: | (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3') | | Authors: | Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G. | | Deposit date: | 2019-02-25 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
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6OWY
 | | Spy H96L:Im7 K20pI-Phe complex; multiple anomalous datasets contained herein for element identification | | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | | Deposit date: | 2019-05-12 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
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6JJF
 | | Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex | | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), POTASSIUM ION, ... | | Authors: | Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G. | | Deposit date: | 2019-02-25 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
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6OWZ
 | | Spy H96L:Im7 L19pI-Phe complex; multiple anomalous datasets contained herein for element identification | | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | | Deposit date: | 2019-05-12 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
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6OWX
 | | Spy H96L:Im7 L18pI-Phe complex; multiple anomalous datasets contained herein for element identification | | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | | Deposit date: | 2019-05-12 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
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5MUU
 | | dsRNA bacteriophage phi6 nucleocapsid | | Descriptor: | Major inner protein P1, Major outer capsid protein, Packaging enzyme P4 | | Authors: | Sun, Z, El Omari, K, Sun, X, Ilca, S.L, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T. | | Deposit date: | 2017-01-14 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
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