5V43
| Engineered human IgG Fc domain aglyco801 | Descriptor: | Ig gamma-1 chain C region | Authors: | Yan, W, Marshall, N, Zhang, Y.J. | Deposit date: | 2017-03-08 | Release date: | 2017-06-21 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | IgG Fc domains that bind C1q but not effector Fc gamma receptors delineate the importance of complement-mediated effector functions. Nat. Immunol., 18, 2017
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7QT0
| Antibody FenAb136 - fentanyl complex | Descriptor: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | Deposit date: | 2022-01-14 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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7QT4
| Antibody FenAb709 - fentanyl complex | Descriptor: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | Deposit date: | 2022-01-14 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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7QT3
| Antibody FenAb609 - fentanyl complex | Descriptor: | Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | Deposit date: | 2022-01-14 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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6B52
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6B1C
| Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a) | Descriptor: | 2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, Macrophage migration inhibitory factor, SULFATE ION | Authors: | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | Deposit date: | 2017-09-18 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.163 Å) | Cite: | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor. ACS Med Chem Lett, 8, 2017
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6B2C
| Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (4b) | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION, {2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid | Authors: | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | Deposit date: | 2017-09-19 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor. ACS Med Chem Lett, 8, 2017
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6AU1
| Structure of the PgaB (BpsB) glycoside hydrolase domain from Bordetella bronchiseptica | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative hemin storage protein, ... | Authors: | Little, D.J, Bamford, N.C, Howell, P.L. | Deposit date: | 2017-08-30 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | PgaB orthologues contain a glycoside hydrolase domain that cleaves deacetylated poly-beta (1,6)-N-acetylglucosamine and can disrupt bacterial biofilms. PLoS Pathog., 14, 2018
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6B4Y
| Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, F39Y Mutant | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | Authors: | Taylor, A.B. | Deposit date: | 2017-09-27 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum? Int.J.Parasitol., 2020
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6B50
| Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, T157S Mutant | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | Authors: | Taylor, A.B. | Deposit date: | 2017-09-27 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum? Int.J.Parasitol., 2020
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6B1K
| Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (3a) | Descriptor: | 2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | Deposit date: | 2017-09-18 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor. ACS Med Chem Lett, 8, 2017
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6BCC
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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5VA0
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6BC9
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6B4Z
| Schistosoma mansoni (Blood Fluke) Sulfotransferase, T157S Mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | Authors: | Taylor, A.B. | Deposit date: | 2017-09-27 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum? Int.J.Parasitol., 2020
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6B54
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5VA7
| Glucocorticoid Receptor DNA Binding Domain - IL11 AP-1 recognition element Complex | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*TP*GP*AP*GP*TP*CP*AP*GP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*CP*TP*GP*AP*CP*TP*CP*AP*CP*CP*CP*T)-3'), Glucocorticoid receptor, ... | Authors: | Weikum, E.R, Ortlund, E.A. | Deposit date: | 2017-03-24 | Release date: | 2017-08-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Tethering not required: the glucocorticoid receptor binds directly to activator protein-1 recognition motifs to repress inflammatory genes. Nucleic Acids Res., 45, 2017
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6B51
| Schistosoma haematobium (Blood Fluke) Sulfotransferase, Y54F Mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase | Authors: | Taylor, A.B. | Deposit date: | 2017-09-27 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum? Int.J.Parasitol., 2020
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6BK3
| Crystal structure of Os79 from O. sativa in complex with UDP and deoxynivalenol-3-glucoside (glucose moitey not resolved) | Descriptor: | (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one, UDP-glycosyltransferase 79, URIDINE-5'-DIPHOSPHATE | Authors: | Wetterhorn, K, Gabardi, K, Rayment, I. | Deposit date: | 2017-11-07 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Determinants and Expansion of Specificity in a Trichothecene UDP-Glucosyltransferase from Oryza sativa. Biochemistry, 56, 2017
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5VN5
| Crystal structure of LigY from Sphingobium sp. strain SYK-6 | Descriptor: | 2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl meta-cleavage compound hydrolase, CHLORIDE ION, ZINC ION | Authors: | Kuatsjah, E, Chan, A.C.K, Kobylarz, M.J, Murphy, M.E.P, Eltis, L.D. | Deposit date: | 2017-04-28 | Release date: | 2017-09-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The bacterialmeta-cleavage hydrolase LigY belongs to the amidohydrolase superfamily, not to the alpha / beta-hydrolase superfamily. J. Biol. Chem., 292, 2017
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7S86
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7SAQ
| Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2021-09-23 | Release date: | 2022-03-09 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43. Nature, 605, 2022
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7SAS
| Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2021-09-23 | Release date: | 2022-03-09 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43. Nature, 605, 2022
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7SAR
| Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2021-09-23 | Release date: | 2022-03-09 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43. Nature, 605, 2022
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6C8T
| The structure of MppP soaked with the substrate L-Arg | Descriptor: | (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine, CHLORIDE ION, PLP-Dependent L-Arginine Hydroxylase MppP | Authors: | Han, L, Silvaggi, N.R. | Deposit date: | 2018-01-25 | Release date: | 2018-09-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Streptomyces wadayamensis MppP is a PLP-Dependent Oxidase, Not an Oxygenase. Biochemistry, 57, 2018
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