7TZ0
 
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8GK7
 | | MsbA bound to cerastecin C | | Descriptor: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Chen, Y, Klein, D. | | Deposit date: | 2023-03-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
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4IQL
 | | Crystal Structure of Porphyromonas gingivalis Enoyl-ACP Reductase II (FabK) with cofactors NADPH and FMN | | Descriptor: | Enoyl-(Acyl-carrier-protein) reductase II, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Hevener, K.E, Santarsiero, B.D, Su, P.-C, Boci, T, Truong, K, Johnson, M.E, Mehboob, S. | | Deposit date: | 2013-01-11 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.938 Å) | | Cite: | Structural characterization of Porphyromonas gingivalis enoyl-ACP reductase II (FabK).
Acta Crystallogr F Struct Biol Commun, 74, 2018
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7TYZ
 | | Cryo-EM structure of SARS-CoV-2 spike in complex with FSR22, an anti-SARS-CoV-2 DARPin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DARPin FSR22, ... | | Authors: | Kwon, Y.D, Gorman, J, Kwong, P.D. | | Deposit date: | 2022-02-15 | | Release date: | 2022-12-07 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | A potent and broad neutralization of SARS-CoV-2 variants of concern by DARPins.
Nat.Chem.Biol., 19, 2023
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7OSZ
 | | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4d | | Descriptor: | 3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2021-06-09 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies.
Int J Mol Sci, 22, 2021
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7OT0
 | | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4h | | Descriptor: | 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2021-06-09 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies.
Int J Mol Sci, 22, 2021
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7OSY
 | | Human Prolyl-tRNA Synthetase in Complex with L-proline | | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2021-06-09 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies.
Int J Mol Sci, 22, 2021
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5KDQ
 | | Deoxyhemoglobin in Complex with an Aryloxyalkanoic acid | | Descriptor: | 3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Ahmed, M.H, Omar, A.M, Safo, M.K. | | Deposit date: | 2016-06-08 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Aryloxyalkanoic Acids as Non-Covalent Modifiers of the Allosteric Properties of Hemoglobin.
Molecules, 21, 2016
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7OT1
 | | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 3c | | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2021-06-09 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies.
Int J Mol Sci, 22, 2021
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7OT2
 | | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4j | | Descriptor: | 3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2021-06-09 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies.
Int J Mol Sci, 22, 2021
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7OT3
 | | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 3b | | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2021-06-09 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies.
Int J Mol Sci, 22, 2021
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1BXQ
 | | ACID PROTEINASE (PENICILLOPEPSIN) COMPLEX WITH PHOSPHONATE INHIBITOR. | | Descriptor: | 2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER, ACETATE ION, GLYCEROL, ... | | Authors: | Parrish, J.C, Khan, A.R, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | | Deposit date: | 1998-10-07 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
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1C3R
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2CAU
 | | CANAVALIN FROM JACK BEAN | | Descriptor: | PROTEIN (CANAVALIN) | | Authors: | Ko, T.-P, Day, J, Macpherson, A. | | Deposit date: | 1998-11-20 | | Release date: | 1998-11-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The refined structure of canavalin from jack bean in two crystal forms at 2.1 and 2.0 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
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6YYT
 | | Structure of replicating SARS-CoV-2 polymerase | | Descriptor: | RNA product, ZINC ION, nsp12, ... | | Authors: | Hillen, H.S, Kokic, G, Farnung, L, Dienemann, C, Tegunov, D, Cramer, P. | | Deposit date: | 2020-05-06 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of replicating SARS-CoV-2 polymerase.
Nature, 584, 2020
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8AU3
 | | c-MET Y1234E,Y1235E mutant in complex with Tepotinib | | Descriptor: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ... | | Authors: | Graedler, U, Lammens, A. | | Deposit date: | 2022-08-25 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
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7OLZ
 | | Crystal structure of the SARS-CoV-2 RBD with neutralizing-VHHs Re5D06 and Re9F06 | | Descriptor: | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Nanobody Re5D06, Nanobody Re9F06, ... | | Authors: | Aksu, M, Guttler, T, Gorlich, D. | | Deposit date: | 2021-05-20 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
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2CHA
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8AU5
 | | c-MET F1200I mutant in complex with Tepotinib | | Descriptor: | 1,2-ETHANEDIOL, 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, CHLORIDE ION, ... | | Authors: | Graedler, U, Lammens, A. | | Deposit date: | 2022-08-25 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
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8AW1
 | | c-MET Y1235D mutant in complex with Tepotinib | | Descriptor: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, Hepatocyte growth factor receptor | | Authors: | Graedler, U, Lammens, A. | | Deposit date: | 2022-08-29 | | Release date: | 2023-09-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
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2C6Z
 | | crystal structure of dimethylarginine dimethylaminohydrolase I in complex with citrulline | | Descriptor: | CITRIC ACID, CITRULLINE, NG, ... | | Authors: | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | | Deposit date: | 2005-11-16 | | Release date: | 2006-05-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inbitors
Structure, 14, 2006
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7ON5
 | | Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06 | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06 | | Authors: | Aksu, M, Guttler, T, Gorlich, D. | | Deposit date: | 2021-05-25 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
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7OZV
 | | SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G | | Descriptor: | Non-structural protein 7, Non-structural protein 8, Product RNA, ... | | Authors: | Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P. | | Deposit date: | 2021-06-28 | | Release date: | 2021-08-18 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis.
Nat.Struct.Mol.Biol., 28, 2021
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1BSI
 | | HUMAN PANCREATIC ALPHA-AMYLASE FROM PICHIA PASTORIS, GLYCOSYLATED PROTEIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, CALCIUM ION, ... | | Authors: | Rydberg, E.H, Sidhu, G, Vo, H.C, Hewitt, J, Cote, H.C.F, Wang, Y, Numao, S, Macgillivray, R.T.A, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 1998-08-28 | | Release date: | 1999-05-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cloning, mutagenesis, and structural analysis of human pancreatic alpha-amylase expressed in Pichia pastoris.
Protein Sci., 8, 1999
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8AOL
 | | Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain III (aa 363-499) | | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sagmeister, T, Damisch, E, Eder, M, Dordic, A, Vejzovic, D, Pavkov-Keller, T. | | Deposit date: | 2022-08-08 | | Release date: | 2023-08-23 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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