8BAW
 
 | | X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - 5-LICAM siderophore analogue complex. | | Descriptor: | FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide), Siderophore ABC transporter substrate-binding protein | | Authors: | Blagova, E.V, Miller, A, Booth, R, Dodson, E.J, Duhme-Klair, A.K, Wilson, K.S. | | Deposit date: | 2022-10-12 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.471 Å) | | Cite: | Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
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6GG9
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6ZG4
 | | Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A | | Descriptor: | Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Rucktooa, P, Cooke, R.M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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6I0Q
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6BWH
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7R60
 | | BTK in complex with 18A | | Descriptor: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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6ZGR
 | | Crystal structure of a MFS transporter with bound 1-hydroxynaphthalene-2-carboxylic acid at 2.67 Angstroem resolution | | Descriptor: | 1-hydroxynaphthalene-2-carboxylic acid, L-lactate transporter | | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | | Deposit date: | 2020-06-19 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | The making of a potent L-lactate transport inhibitor
Commun Chem, 4, 2021
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6KAK
 | | Crystal structure of FKRP in complex with Mg ion | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fukutin-related protein, MAGNESIUM ION, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2019-06-23 | | Release date: | 2020-01-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.056 Å) | | Cite: | Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
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6GGG
 | | Mineralocorticoid receptor in complex with (s)-13 | | Descriptor: | 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... | | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | | Deposit date: | 2018-05-03 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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7RFD
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6ZGU
 | | Crystal structure of a MFS transporter with bound 3-(2-methylphenyl)propanoic acid at 2.41 Angstroem resolution | | Descriptor: | 3-(2-methylphenyl)propanoic acid, L-lactate transporter | | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | | Deposit date: | 2020-06-19 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | The making of a potent L-lactate transport inhibitor
Commun Chem, 4, 2021
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6KB8
 | | X-ray structure of human PPARalpha ligand binding domain-GW7647 co-crystals obtained by cross-seeding | | Descriptor: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I. | | Deposit date: | 2019-06-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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6GGO
 | | Crystal structure of Salmonella zinc metalloprotease effector GtgA | | Descriptor: | Bacteriophage virulence determinant, CHLORIDE ION, ZINC ION | | Authors: | Jennings, E, Esposito, D, Rittinger, K, Thurston, T. | | Deposit date: | 2018-05-03 | | Release date: | 2018-08-29 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-function analyses of the bacterial zinc metalloprotease effector protein GtgA uncover key residues required for deactivating NF-kappa B.
J. Biol. Chem., 293, 2018
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7JLR
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5G58
 | | Crystal structure of A190T mutant of human hippocalcin AT 2.5 A resolution | | Descriptor: | CALCIUM ION, Neuron-specific calcium-binding protein hippocalcin | | Authors: | Antonyuk, S.V, Helassa, N, Lian, L.Y, Haynes, L.P, Burgoyne, R.D. | | Deposit date: | 2016-05-22 | | Release date: | 2017-05-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia.
Hum. Mol. Genet., 26, 2017
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6ZGT
 | | Crystal structure of a MFS transporter with bound 2-naphthoic acid at 2.39 Angstroem resolution | | Descriptor: | L-lactate transporter, naphthalene-2-carboxylic acid | | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | | Deposit date: | 2020-06-19 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | The making of a potent L-lactate transport inhibitor
Commun Chem, 4, 2021
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8R7D
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6R2I
 | | Crystal structure of the SUN1-KASH5 6:6 complex | | Descriptor: | KASH5, POTASSIUM ION, SUN domain-containing protein 1 | | Authors: | Gurusaran, M, Davies, O.R. | | Deposit date: | 2019-03-18 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.541 Å) | | Cite: | A molecular mechanism for LINC complex branching by structurally diverse SUN-KASH 6:6 assemblies.
Elife, 10, 2021
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7R61
 | | BTK in complex with 25A | | Descriptor: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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5T8Q
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6ZGS
 | | Crystal structure of a MFS transporter with bound 3-phenylpropanoic acid at 2.39 Angstroem resolution | | Descriptor: | HYDROCINNAMIC ACID, L-lactate transporter | | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | | Deposit date: | 2020-06-19 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | The making of a potent L-lactate transport inhibitor
Commun Chem, 4, 2021
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6BWR
 | | LarC2, the C-terminal domain of a cyclometallase involved in the synthesis of the NPN cofactor of lactate racemase, in complex with nickel | | Descriptor: | NICKEL (II) ION, Pyridinium-3,5-bisthiocarboxylic acid mononucleotide nickel insertion protein | | Authors: | Fellner, M, Hausinger, R.P, Hu, J. | | Deposit date: | 2017-12-15 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Biosynthesis of the nickel-pincer nucleotide cofactor of lactate racemase requires a CTP-dependent cyclometallase.
J. Biol. Chem., 293, 2018
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6Z01
 | | DNA Topoisomerase | | Descriptor: | CHLORIDE ION, DNA topoisomerase I | | Authors: | Takahashi, T.S, Gadelle, D, Forterre, P, Mayer, C, Petrella, S. | | Deposit date: | 2020-05-07 | | Release date: | 2021-11-17 | | Last modified: | 2023-05-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Topoisomerase I (TOP1) dynamics: conformational transition from open to closed states.
Nat Commun, 13, 2022
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5G3Y
 | | Crystal structure of adenylate kinase ancestor 1 with Zn and ADP bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ZINC ION | | Authors: | Nguyen, V, Kutter, S, English, J, Kern, D. | | Deposit date: | 2016-05-03 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
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6OSU
 | | Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase (Penicillin binding protein) family protein | | Authors: | Kim, Y, Stogios, P, Skarina, T, Di, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-02 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis
To Be Published
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