7JMF
| Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 42 - State 6 (S6) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ... | Authors: | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | Deposit date: | 2020-07-31 | Release date: | 2020-08-12 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Retrieving functional pathways of biomolecules from single-particle snapshots. Nat Commun, 11, 2020
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7OP2
| Chadox1/ Chimpanzee adenovirus Y25 fiber knob protein | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Rizkallah, P.J, Baker, A.T, Parker, A.L, Teijeira Crespo, A, Lipka-Lloyd, M. | Deposit date: | 2021-05-28 | Release date: | 2021-06-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome. Sci Adv, 7, 2021
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6ZH7
| Crystal structure of fatty acid photodecarboxylase in the dark state determined by serial femtosecond crystallography at room temperature | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Weik, M, Schlichting, I, Barends, T.R.M, Colletier, J.P. | Deposit date: | 2020-06-21 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase. Science, 372, 2021
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4P78
| HicA3 and HicB3 toxin-antitoxin complex | Descriptor: | GLYCEROL, HicA3 Toxin, HicB3 antitoxin | Authors: | Li de la Sierra-Gallay, I, Bibi-Triki, S, van Tilbeurgh, H, Lazar, N, Pradel, E. | Deposit date: | 2014-03-26 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Functional and Structural Analysis of HicA3-HicB3, a Novel Toxin-Antitoxin System of Yersinia pestis. J.Bacteriol., 196, 2014
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4P7D
| Antitoxin HicB3 crystal structure | Descriptor: | Antitoxin HicB3, CHLORIDE ION | Authors: | Li de la Sierra-Gallay, I, Bibi-Triki, S, van Tilbeurgh, H, Lazar, N, Pradel, E. | Deposit date: | 2014-03-27 | Release date: | 2014-08-27 | Last modified: | 2015-02-04 | Method: | X-RAY DIFFRACTION (2.781 Å) | Cite: | Functional and Structural Analysis of HicA3-HicB3, a Novel Toxin-Antitoxin System of Yersinia pestis. J.Bacteriol., 196, 2014
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3PF3
| Crystal structure of a mutant (C202A) of Triosephosphate isomerase from Giardia lamblia derivatized with MMTS | Descriptor: | CALCIUM ION, GLYCEROL, SULFATE ION, ... | Authors: | Enriquez-Flores, S, Rodriguez-Romero, A, Hernandez-Santoyo, A, Reyes-Vivas, H. | Deposit date: | 2010-10-27 | Release date: | 2011-06-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Determining the molecular mechanism of inactivation by chemical modification of triosephosphate isomerase from the human parasite Giardia lamblia: A study for antiparasitic drug design. Proteins, 79, 2011
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6N4T
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6X9I
| Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | Deposit date: | 2020-06-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6X9K
| Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ... | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | Deposit date: | 2020-06-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6X9J
| Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | Deposit date: | 2020-06-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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8RK1
| Crystal structure of FutA bound to Fe(III) solved by neutron diffraction | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-12-22 | Release date: | 2024-01-17 | Last modified: | 2024-03-27 | Method: | NEUTRON DIFFRACTION (2.095 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8C4Y
| SFX structure of FutA bound to Fe(III) | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-01-05 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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4BI6
| CRYSTAL STRUCTURE OF A TRIPLE MUTANT (A198V, C202A AND C222N) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA. COMPLEXED WITH 2- PHOSPHOGLYCOLIC ACID | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE | Authors: | Torres-Larios, A, Enriquez-Flores, S, Reyes-Vivas, H, Oria-Hernandez, J, Hernandez-Alcantara, G. | Deposit date: | 2013-04-09 | Release date: | 2013-05-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and Functional Perturbation of Giardia Lamblia Triosephosphate Isomerase by Modification of a Non-Catalytic, Non-Conserved Region. Plos One, 8, 2013
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4BI7
| CRYSTAL STRUCTURE OF A MUTANT (C202A) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA COMPLEXED WITH 2-PHOSPHOGLYCOLIC ACID | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE | Authors: | Torres-Larios, A, Enriquez-Flores, S, Reyes-Vivas, H, Oria-Hernandez, J, Hernandez-Alcantara, G. | Deposit date: | 2013-04-09 | Release date: | 2013-05-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Functional Perturbation of Giardia Lamblia Triosephosphate Isomerase by Modification of a Non-Catalytic, Non-Conserved Region. Plos One, 8, 2013
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4BI5
| CRYSTAL STRUCTURE OF A DOUBLE MUTANT (C202A AND C222D) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA. | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | Authors: | Torres-Larios, A, Enriquez-Flores, S, Reyes-Vivas, H, Oria-Hernandez, J, Hernandez-Alcantara, G. | Deposit date: | 2013-04-09 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Functional Perturbation of Giardia Lamblia Triosephosphate Isomerase by Modification of a Non-Catalytic, Non-Conserved Region. Plos One, 8, 2013
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6XYT
| Crystal structure of the O-state of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ... | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | Deposit date: | 2020-01-31 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular mechanism of light-driven sodium pumping. Nat Commun, 11, 2020
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6YC0
| Crystal structure of the steady-state-SMX activated state of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ... | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | Deposit date: | 2020-03-18 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of light-driven sodium pumping. Nat Commun, 11, 2020
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6YC2
| Crystal structure of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ALANINE, EICOSANE, ... | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | Deposit date: | 2020-03-18 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism of light-driven sodium pumping. Nat Commun, 11, 2020
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7ZOU
| Crystal structure of Synechocystis halorhodopsin (SyHR), Cl-pumping mode, ground state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, EICOSANE, ... | Authors: | Kovalev, K, Bukhdruker, S, Astashkin, R, Vaganova, S, Gordeliy, V. | Deposit date: | 2022-04-26 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural insights into light-driven anion pumping in cyanobacteria. Nat Commun, 13, 2022
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7ZOV
| Crystal structure of Synechocystis halorhodopsin (SyHR), Cl-pumping mode, K state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, EICOSANE, ... | Authors: | Kovalev, K, Bukhdruker, S, Astashkin, R, Vaganova, S, Gordeliy, V. | Deposit date: | 2022-04-26 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into light-driven anion pumping in cyanobacteria. Nat Commun, 13, 2022
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7ZOW
| Crystal structure of Synechocystis halorhodopsin (SyHR), Cl-pumping mode, O state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | Authors: | Kovalev, K, Bukhdruker, S, Astashkin, R, Vaganova, S, Gordeliy, V. | Deposit date: | 2022-04-26 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into light-driven anion pumping in cyanobacteria. Nat Commun, 13, 2022
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7ZOY
| Crystal structure of Synechocystis halorhodopsin (SyHR), SO4-bound form, ground state | Descriptor: | CHLORIDE ION, EICOSANE, GLYCEROL, ... | Authors: | Kovalev, K, Bukhdruker, S, Astashkin, R, Vaganova, S, Gordeliy, V. | Deposit date: | 2022-04-26 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural insights into light-driven anion pumping in cyanobacteria. Nat Commun, 13, 2022
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6YRZ
| Crystal structure of FAP et pH 8.5 after illumination at 150K | Descriptor: | CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, ... | Authors: | Sorigue, D, Legrand, P, Blangy, S, Beisson, F, Arnoux, P. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.824 Å) | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase. Science, 372, 2021
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5DE1
| Crystal structure of human IDH1 in complex with GSK321A | Descriptor: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Concha, N.O, Smallwood, A, Qi, H. | Deposit date: | 2015-08-25 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nat.Chem.Biol., 11, 2015
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6PV6
| Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | Deposit date: | 2019-07-19 | Release date: | 2020-08-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Retrieving functional pathways of biomolecules from single-particle snapshots. Nat Commun, 11, 2020
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