7PCO
 
 | | BurG E232Q mutant (holo) in complex with 2R,3R-2,3-dihydroxy-6-methyl-heptanoate (12): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid, GLYCEROL, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCI
 | | BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (Z)-2,3-bis(oxidanyl)prop-2-enoic acid, IMIDAZOLE, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCT
 | | BurG E232Q mutant (holo) in complex with enol-oxalacetate (15): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (~{Z})-2-oxidanylbut-2-enedioic acid, GLYCEROL, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-04 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7E18
 | | Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor YH-53 | | Descriptor: | 1,2-ETHANEDIOL, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1ab | | Authors: | Senda, M, Konno, S, Hayashi, Y, Senda, T. | | Deposit date: | 2021-02-01 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
J.Med.Chem., 65, 2022
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7PCL
 | | BurG (holo) in complex with 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate (11): Biosynthesis of cyclopropanolrings in bacterial toxins | | Descriptor: | (2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCN
 | | BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid, (METHYLSULFANYL)METHANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7E19
 | | Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5 | | Descriptor: | (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate, 3C-like proteinase | | Authors: | Senda, M, Konno, S, Hayashi, Y, Senda, T. | | Deposit date: | 2021-02-01 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
J.Med.Chem., 65, 2022
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5FQ5
 | | Crystal structure of Cas9-sgRNA-DNA complex solved by native SAD phasing | | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ... | | Authors: | Olieric, V, Weinert, T, Finke, A, Anders, C, Jinek, M, Wang, M. | | Deposit date: | 2015-12-07 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.136 Å) | | Cite: | Data-Collection Strategy for Challenging Native Sad Phasing.
Acta Crystallogr.,Sect.D, 72, 2016
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6YR9
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6YQ1
 | | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide | | Descriptor: | Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ... | | Authors: | Musil, D, Heinrich, T, Amaral, M. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.784 Å) | | Cite: | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
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6Q7L
 | | Spiral structure of E. coli RavA in the RavA-LdcI cage-like complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase RavA, Inducible lysine decarboxylase, ... | | Authors: | Arragain, B, Felix, J, Malet, H, Gutsche, I, Jessop, M. | | Deposit date: | 2018-12-13 | | Release date: | 2020-02-12 | | Last modified: | 2020-02-19 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex.
Commun Biol, 3, 2020
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7ZMO
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-052 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G3-052, SULFATE ION, ... | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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7ZMT
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G5-006 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G5-006, ZINC ION | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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6GCJ
 | | Solution structure of the RodA hydrophobin from Aspergillus fumigatus | | Descriptor: | Hydrophobin | | Authors: | Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I. | | Deposit date: | 2018-04-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-09-04 | | Method: | SOLUTION NMR | | Cite: | Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
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7ZMV
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G5-006 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G5-006, SULFATE ION, ... | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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8FG2
 | | SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients | | Descriptor: | Nucleoprotein | | Authors: | Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F. | | Deposit date: | 2022-12-12 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
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7ZMP
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-055 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G3-055, ZINC ION | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.626 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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7ZMR
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2*-011 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G2*-011, SULFATE ION, ... | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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7ZMM
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2-001 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G2-001, ZINC ION | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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7ZMQ
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G2*-006 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G2*-006, SULFATE ION, ... | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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7ZMN
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-048 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G3-048, SULFATE ION, ... | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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6YEK
 | | Crystal structure of human NEMO apo form | | Descriptor: | Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, isoform CRA_b | | Authors: | Garcia-Pardo, J, Akutsu, M, Busse, P, Skenderovic, A, Maculins, T, Dikic, I. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Discovery of Protein-Protein Interaction Inhibitors by Integrating Protein Engineering and Chemical Screening Platforms.
Cell Chem Biol, 27, 2020
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7ZML
 | | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G1-001 | | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G1-001, SULFATE ION, ... | | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
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5ZQQ
 | | Tankyrase-2 in complex with compound 52 | | Descriptor: | 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | Deposit date: | 2018-04-19 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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1UGK
 | | Solution structure of the first C2 domain of synaptotagmin IV from human fetal brain (KIAA1342) | | Descriptor: | Synaptotagmin IV | | Authors: | Nagashima, T, Hayashi, F, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Matsuo, Y, Ohara, O, Nagase, T, Kikuno, R, Nakayama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-06-16 | | Release date: | 2003-12-16 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the first C2 domain of synaptotagmin IV from human fetal brain (KIAA1342)
To be Published
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