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8BY8	The cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS-MAT) Descriptor: Non-reducing polyketide synthase CTB1 Authors: Munoz-Hernandez, H, Maier, T. Deposit date: 2022-12-12 Release date: 2024-01-10 Method: ELECTRON MICROSCOPY (2.5 Å) Cite: The cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS-MAT) at 2.5 Angstroms resolution To Be Published
8CG5	The ACP crosslinked to the KS of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS:ACP-MAT) Descriptor: Acyl carrier protein (ACP) of Non-reducing polyketide synthase CTB1, Non-reducing polyketide synthase CTB1, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide Authors: Munoz-Hernandez, H, Tittes, Y.U, Maier, T. Deposit date: 2023-02-03 Release date: 2024-02-21 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: CryoEM structure of ACP crosslinked to KS of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS:ACP-MAT) at 2.7 Angstroms resolution To Be Published
8CG4	The organise full-length structure of the fungal non-reducing polyketide synthase (NR-PKS) PksA Descriptor: Norsolorinic acid synthase Authors: Munoz-Hernandez, H, Maier, T. Deposit date: 2023-02-03 Release date: 2024-02-21 Method: ELECTRON MICROSCOPY (2.6 Å) Cite: CryoEM structure of the Aspergilus sp. fungal non-reducing polyketide synthase (NR-PKS) PksA at 2.6 Angstroms resolution To Be Published
8CG6	The ACP crosslinked to the SAT of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (ACP:SAT-KS-MAT) Descriptor: Acyl carrier protein (ACP) of Non-reducing polyketide synthase CTB1, Non-reducing polyketide synthase CTB1, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide Authors: Munoz-Hernandez, H, Tittes, Y.U, Maier, T. Deposit date: 2023-02-03 Release date: 2024-02-21 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: CryoEM structure of ACP crosslinked to SAT of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (ACP:SAT-KS-MAT) at 3.4 Angstroms resolution To Be Published
8UGC	FD15: Flat repeat helix-turn-helix-turn protein Descriptor: FD15 Authors: Davila-Hernandez, F, Bera, A.K, Kang, A, Baker, D. Deposit date: 2023-10-05 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (4 Å) Cite: Directing polymorph specific calcium carbonate formation with de novo protein templates. Nat Commun, 14, 2023
6Q8X	Respiratory complex I from Thermus thermophilus with bound Pyridaben. Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... Authors: Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. Deposit date: 2018-12-16 Release date: 2020-09-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.508 Å) Cite: Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
6Q8O	Respiratory complex I from Thermus thermophilus with bound Piericidin A Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... Authors: Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. Deposit date: 2018-12-15 Release date: 2020-09-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.605 Å) Cite: Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
7Q4Q	Magacizumab Fab fragment in complex with human LRG1 epitope Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRG1 epitope, Magacizumab heavy chain, ... Authors: Gutierrez-Fernandez, J, Luecke, H. Deposit date: 2021-11-01 Release date: 2022-06-15 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural basis of human LRG1 recognition by Magacizumab, a humanized monoclonal antibody with therapeutic potential. Acta Crystallogr D Struct Biol, 78, 2022
6I1P	Respiratory complex I from Thermus thermophilus with bound NADH Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... Authors: Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. Deposit date: 2018-10-29 Release date: 2020-09-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.207 Å) Cite: Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
6I0D	Respiratory complex I from Thermus thermophilus with bound Decyl-Ubiquinone Descriptor: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... Authors: Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. Deposit date: 2018-10-25 Release date: 2020-09-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.6 Å) Cite: Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
5I3D	Sulfolobus solfataricus beta-glycosidase - E387Y mutant Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-galactosidase Authors: Iglesias-Fernandez, J, Hancock, S.M, Lee, S.S, McAuley, K.E, Fordham-Skelton, A, Rovira, C, Davis, B.D. Deposit date: 2016-02-10 Release date: 2017-02-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.16 Å) Cite: A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase. Nat. Chem. Biol., 13, 2017
5K27	Crystal structure of ancestral protein ancMT of ADP-dependent sugar kinases family. Descriptor: ADENOSINE MONOPHOSPHATE, IODIDE ION, ancMT Authors: Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. Deposit date: 2016-05-18 Release date: 2017-05-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.58 Å) Cite: Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
6Y11	Respiratory complex I from Thermus thermophilus Descriptor: DUF3197 domain-containing protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... Authors: Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. Deposit date: 2020-02-10 Release date: 2020-09-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.109 Å) Cite: Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
5TQ0	Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2A in the presence of EDTA Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB, HEAVY CHAIN, ... Authors: Romero-Hernandez, A, Simorowski, N, Karakas, E, Furukawa, H. Deposit date: 2016-10-21 Release date: 2016-12-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Molecular Basis for Subtype Specificity and High-Affinity Zinc Inhibition in the GluN1-GluN2A NMDA Receptor Amino-Terminal Domain. Neuron, 92, 2016
5TPZ	Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2B in apo closed state Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 2B, ... Authors: Romero-Hernandez, A, Simorwski, N, Karakas, E, Furukawa, H. Deposit date: 2016-10-21 Release date: 2016-12-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.095 Å) Cite: Molecular Basis for Subtype Specificity and High-Affinity Zinc Inhibition in the GluN1-GluN2A NMDA Receptor Amino-Terminal Domain. Neuron, 92, 2016
5TSF	Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, Soluble acetylcholine receptor Authors: Camacho-Hernandez, G.A, Kaczanowska, K, Harel, M, Finn, M.G, Taylor, P.W. Deposit date: 2016-10-28 Release date: 2017-10-25 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.286 Å) Cite: Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121 To Be Published
5TQ2	Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2A in complex with zinc at GluN1 and GluN2A Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB, HEAVY CHAIN, ... Authors: Romero-Hernandez, A, Simorowski, N, Karakas, E, Furukawa, H. Deposit date: 2016-10-21 Release date: 2016-12-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.289 Å) Cite: Molecular Basis for Subtype Specificity and High-Affinity Zinc Inhibition in the GluN1-GluN2A NMDA Receptor Amino-Terminal Domain. Neuron, 92, 2016
5TPW	Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2A in complex with zinc at the GluN2A Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB, HEAVY CHAIN, ... Authors: Romero-Hernandez, A, Simorowski, N, Karakas, E, Furukawa, H. Deposit date: 2016-10-21 Release date: 2016-12-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.909 Å) Cite: Molecular Basis for Subtype Specificity and High-Affinity Zinc Inhibition in the GluN1-GluN2A NMDA Receptor Amino-Terminal Domain. Neuron, 92, 2016
8QCJ	Crystal structure of mycothiol disulfide reductase Mtr from Rhodococcus erythropolis Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Mycothione reductase Authors: Gutierrez-Fernandez, J, Hammerstad, M, Hersleth, H.-P. Deposit date: 2023-08-27 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: The crystal structure of mycothiol disulfide reductase (Mtr) provides mechanistic insight into the specific low-molecular-weight thiol reductase activity of Actinobacteria. Acta Crystallogr D Struct Biol, 80, 2024
8QCK	Crystal structure of mycothiol disulfide reductase Mtr from Mycobacterium smegmatis Descriptor: Pyridine nucleotide-disulfide oxidoreductase dimerization region Authors: Gutierrez-Fernandez, J, Hammerstad, M, Hersleth, H.-P. Deposit date: 2023-08-27 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (4.7 Å) Cite: The crystal structure of mycothiol disulfide reductase (Mtr) provides mechanistic insight into the specific low-molecular-weight thiol reductase activity of Actinobacteria. Acta Crystallogr D Struct Biol, 80, 2024
5U8C	CRYSTAL STRUCTURE OF GLUN1/GLUN2A LIGAND-BINDING DOMAIN IN COMPLEX WITH GLYCINE AND NVP-AAM077 Descriptor: GLUTAMATE RECEPTOR IONOTROPIC, NMDA 2A, GLYCEROL, ... Authors: Romero-Hernandez, A, Furukawa, H. Deposit date: 2016-12-14 Release date: 2017-05-17 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.598 Å) Cite: Novel Mode of Antagonist Binding in NMDA Receptors Revealed by the Crystal Structure of the GluN1-GluN2A Ligand-Binding Domain Complexed to NVP-AAM077. Mol. Pharmacol., 92, 2017
5TVH	Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 8.0 spacegroup P21 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, DIMETHYL SULFOXIDE, ... Authors: Camacho-Hernandez, G.A, Kaczanowska, K, Harel, M, Finn, M.G, Taylor, P.W. Deposit date: 2016-11-08 Release date: 2017-11-15 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121 To Be Published
3T62	Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean Sea anemone Stichodactyla helianthus in complex with bovine chymotrypsin Descriptor: Chymotrypsinogen A, Kunitz-type proteinase inhibitor SHPI-1, SULFATE ION Authors: Garcia-Fernandez, R, Dominguez, R, Oberthuer, D, Pons, T, Gonzalez-Gonzalez, Y, Chavez, M.A, Betzel, C, Redecke, L. Deposit date: 2011-07-28 Release date: 2012-08-01 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural insights into chymotrypsin inhibition by the Kunitz-type inhibitor-1 from the marine invertebrate Stichodactyla helianthus To be Published
3BB7	Structure of Prevotella intermedia prointerpain A fragment 39-359 (mutant C154A) Descriptor: interpain A Authors: Mallorqui-Fernandez, N, Manandhar, S.P, Mallorqui-Fernandez, G, Uson, I, Wawrzonek, K, Kantyka, T, Sola, M, Thogersen, I.B, Enghild, J.J, Potempa, J, Gomis-Ruth, F.X. Deposit date: 2007-11-09 Release date: 2007-11-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: A New Autocatalytic Activation Mechanism for Cysteine Proteases Revealed by Prevotella intermedia Interpain A J.Biol.Chem., 283, 2008
3BBA	Structure of active wild-type Prevotella intermedia interpain A cysteine protease Descriptor: interpain A Authors: Mallorqui-Fernandez, N, Manandhar, S.P, Mallorqui-Fernandez, G, Uson, I, Wawrzonek, K, Kantyka, T, Sola, M, Thogersen, I.B, Enghild, J.J, Potempa, J, Gomis-Ruth, F.X. Deposit date: 2007-11-09 Release date: 2007-11-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.2 Å) Cite: A New Autocatalytic Activation Mechanism for Cysteine Proteases Revealed by Prevotella intermedia Interpain A J.Biol.Chem., 283, 2008

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