6WEF
 
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3BNV
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7CU1
 | | CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE (THAL) IN COMPLEX WITH FAD and AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase | | Authors: | Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P. | | Deposit date: | 2020-08-20 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
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6W0M
 | | Human 8-oxoguanine glycosylase crosslinked with oxoG lesion containing DNA | | Descriptor: | 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), ... | | Authors: | Shigdel, U, Verdine, G. | | Deposit date: | 2020-03-02 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase.
Nat Commun, 11, 2020
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6W0R
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5CZK
 | | Structure of E. coli beta-glucuronidase bound with a novel, potent inhibitor 1-((6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea | | Descriptor: | 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea, Beta-glucuronidase | | Authors: | Roberts, A.R, Wallace, B.R, Redinbo, M.R. | | Deposit date: | 2015-07-31 | | Release date: | 2015-10-14 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
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7C37
 | | Crystal structure of AofleA from Arthrobotrys oligospora | | Descriptor: | AofleA, BICINE | | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-05-11 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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4TPH
 | | Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2 | | Descriptor: | 3,5 DIBROMOTYROSINE, ALANINE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Guettou, F, Quistgaard, E, Raba, M, Moberg, P, Low, C, Nordlund, P. | | Deposit date: | 2014-06-07 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.155 Å) | | Cite: | Selectivity mechanism of a bacterial homolog of the human drug-peptide transporters PepT1 and PepT2.
Nat.Struct.Mol.Biol., 21, 2014
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7R4Q
 | | The SARS-CoV-2 spike in complex with the 1.29 neutralizing nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.29, ... | | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | | Deposit date: | 2022-02-09 | | Release date: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022
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7R4I
 | | The SARS-CoV-2 spike in complex with the 2.15 neutralizing nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 2.15, ... | | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | | Deposit date: | 2022-02-08 | | Release date: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022
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6W3O
 | | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 4-methylisoleucine | | Descriptor: | 4-methylisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ... | | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
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7R4R
 | | The SARS-CoV-2 spike in complex with the 1.10 neutralizing nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.10, ... | | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | | Deposit date: | 2022-02-09 | | Release date: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022
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4TPG
 | | Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2 | | Descriptor: | Ala-L-3-Br-Tyr-Ala, DODECYL-BETA-D-MALTOSIDE, Proton:oligopeptide symporter POT family, ... | | Authors: | Guettou, F, Quistgaard, E.M, Raba, M, Moberg, P, Low, C, Nordlund, P. | | Deposit date: | 2014-06-07 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.91 Å) | | Cite: | Selectivity mechanism of a bacterial homolog of the human drug-peptide transporters PepT1 and PepT2.
Nat.Struct.Mol.Biol., 21, 2014
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7UJ7
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4B6D
 | | Structure of the atypical C1 domain of MgcRacGAP | | Descriptor: | GLYCEROL, RAC GTPASE-ACTIVATING PROTEIN 1, ZINC ION | | Authors: | Pye, V.E, Lekomtsev, S, Petronczki, M, Cherepanov, P. | | Deposit date: | 2012-08-09 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Centralspindlin Links the Mitotic Spindle to the Plasma Membrane During Cytokinesis.
Nature, 492, 2012
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8FW0
 | | MtrR from Neisseria gonorrhoeae bound to beta-Estradiol | | Descriptor: | ESTRADIOL, GLYCEROL, HTH-type transcriptional regulator MtrR, ... | | Authors: | Hooks, G.H, Brennan, R.G. | | Deposit date: | 2023-01-20 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024
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4BC6
 | | Crystal structure of human serine threonine kinase-10 bound to novel Bosutinib Isoform 1, previously thought to be Bosutinib | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE, SERINE/THREONINE-PROTEIN KINASE 10 | | Authors: | Vollmar, M, Szklarz, M, Chaikuad, A, Elkins, J, Savitsky, P, Azeez, K.A, Salah, E, Krojer, T, Canning, P, Muniz, J.R.C, Bountra, C, Arrowsmith, C.H, von Delft, F, Weigelt, J, Edwards, A, Knapp, S. | | Deposit date: | 2012-10-01 | | Release date: | 2012-10-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Human Serine Threonine Kinase- 10 Bound to Novel Bosutinib Isoform 1, Previously Thought to be Bosutinib
To be Published
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6X2L
 | | hEAAT3-IFS-Na | | Descriptor: | Excitatory amino acid transporter 3 | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-20 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
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6X2Z
 | | hEAAT3-OFS-Asp | | Descriptor: | ASPARTIC ACID, Excitatory amino acid transporter 3, SODIUM ION | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
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8FW8
 | | MtrR from Neisseria gonorrhoeae bound to Progesterone | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, HTH-type transcriptional regulator MtrR, PHOSPHATE ION, ... | | Authors: | Hooks, G.H, Brennan, R.G. | | Deposit date: | 2023-01-20 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024
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6X3E
 | | hEAAT3-Asymmetric-1o2i | | Descriptor: | ASPARTIC ACID, Excitatory amino acid transporter 3, SODIUM ION | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
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6X3F
 | | hEAAT3-IFS-Apo | | Descriptor: | CHOLINE ION, Excitatory amino acid transporter 3 | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
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8FP5
 | | CDK2 liganded with ATP and Mg2+ | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ... | | Authors: | Schonbrunn, E, Sun, L. | | Deposit date: | 2023-01-04 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
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8FP0
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6QYQ
 | | Crystal structure of human thymidylate synthase (hTS) variant R175C | | Descriptor: | CHLORIDE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | | Authors: | Pozzi, C, Mangani, M. | | Deposit date: | 2019-03-09 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and Functional Characterization of the Human Thymidylate Synthase (hTS) Interface Variant R175C, New Perspectives for the Development of hTS Inhibitors.
Molecules, 24, 2019
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