2R4F
 
 | | Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-08-31 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.
J.Med.Chem., 51, 2008
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8QE4
 | | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions | | Descriptor: | DNA (5'-D(*CP*(FRG)P*CP*(FRG)P*CP*(FRG))-3') | | Authors: | El-Khoury, R, Cabrero, C, Movilla, S, Friedland, D, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M. | | Deposit date: | 2023-08-30 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-31 | | Method: | SOLUTION NMR | | Cite: | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions.
Nucleic Acids Res., 52, 2024
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8QRK
 | | mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 1 | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M. | | Deposit date: | 2023-10-09 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (6.69 Å) | | Cite: | GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
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6YKF
 | | VcaM4I restriction endonuclease in the presence of 5mC-modified ssDNA | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*AP*(5CM)P*AP*G)-3'), GLYCEROL, ... | | Authors: | Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M. | | Deposit date: | 2020-04-06 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
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8QRL
 | | mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 2 | | Descriptor: | 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ... | | Authors: | Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M. | | Deposit date: | 2023-10-09 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
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5XQ3
 | | Crystal structure of a PL 26 exo-rhamnogalacturonan lyase from Penicillium chrysogenum | | Descriptor: | CALCIUM ION, Pcrglx protein | | Authors: | Kunishige, Y, Iwai, M, Tada, T, Nishimura, S, Sakamoto, T. | | Deposit date: | 2017-06-06 | | Release date: | 2018-03-21 | | Last modified: | 2018-05-16 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of exo-rhamnogalacturonan lyase from Penicillium chrysogenum as a member of polysaccharide lyase family 26
FEBS Lett., 592, 2018
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8QU5
 | | mt-LSU assembly intermediate in GTPBP8 knock-out cells, state 2 | | Descriptor: | 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M. | | Deposit date: | 2023-10-13 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
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8QOR
 | | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions | | Descriptor: | DNA (5'-D(*(CFL)P*(FRG)P*(CFL)P*(FRG)P*(CFL)P*(FRG))-3') | | Authors: | El-Khoury, R, Cabrero, C, Movilla, S, Friedland, D, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M. | | Deposit date: | 2023-09-29 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-31 | | Method: | SOLUTION NMR | | Cite: | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions.
Nucleic Acids Res., 52, 2024
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6MGB
 | | Thermosulfurimonas dismutans KpsC, beta Kdo 2,4 transferase | | Descriptor: | CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, Capsular polysaccharide export system protein KpsC, ... | | Authors: | Doyle, L, Mallette, E, Kimber, M.S, Whitfield, C. | | Deposit date: | 2018-09-13 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules.
Nat.Chem.Biol., 15, 2019
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8R47
 | | AL amyloid fibril from the FOR010 light chain | | Descriptor: | lambda 3 immunoglobulin light chain fragment, residues 4-116 | | Authors: | Pfeiffer, P.B, Banerjee, S, Schmidt, M, Faendrich, M. | | Deposit date: | 2023-11-13 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.25 Å) | | Cite: | Light chain mutations contribute to defining the fibril morphology in systemic AL amyloidosis.
Nat Commun, 15, 2024
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5MC0
 | | Crystal Structure of delTyr231 mutant of Human Prolidase with Mn ions and GlyPro ligand | | Descriptor: | CHLORIDE ION, GLYCEROL, GLYCINE, ... | | Authors: | Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S. | | Deposit date: | 2016-11-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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5KA2
 | | Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant, open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.071 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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5BYD
 | | Crystal structure of human ribokinase in P21 spacegroup | | Descriptor: | POTASSIUM ION, Ribokinase, SODIUM ION | | Authors: | Park, J, Chakrabarti, J, Singh, B, Gupta, R.S, Junop, M.S. | | Deposit date: | 2015-06-10 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human ribokinase in P21 spacegroup
To Be Published
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6YOE
 | | Structure of Lysozyme from SiN IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging | | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ... | | Authors: | Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M. | | Deposit date: | 2020-04-14 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
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6Y3C
 | | Human COX-1 Crystal Structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Prostaglandin G/H synthase 1, ... | | Authors: | Miciaccia, M, Belviso, B.D, Iaselli, M, Ferorelli, S, Perrone, M.G, Caliandro, R, Scilimati, A. | | Deposit date: | 2020-02-18 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.361 Å) | | Cite: | Three-dimensional structure of human cyclooxygenase (hCOX)-1.
Sci Rep, 11, 2021
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5MC2
 | | Crystal Structure of Gly278Asp mutant of Human Prolidase with Mn ions and GlyPro ligand | | Descriptor: | GLYCEROL, GLYCINE, MANGANESE (II) ION, ... | | Authors: | Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S. | | Deposit date: | 2016-11-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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5KAC
 | | Protein Tyrosine Phosphatase 1B P185G mutant, open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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5CHG
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5KA3
 | | Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant in complex with TCS401, closed state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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6YHF
 | | Solution NMR Structure of APP TMD | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Silber, M, Muhle-Goll, C. | | Deposit date: | 2020-03-29 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Altered Hinge Conformations in APP Transmembrane Helix Mutants May Affect Enzyme-Substrate Interactions of gamma-Secretase.
Acs Chem Neurosci, 11, 2020
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6YEX
 | | VcaM4I restriction endonuclease in the absence of DNA | | Descriptor: | CHLORIDE ION, HNH endonuclease, SULFATE ION | | Authors: | Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M. | | Deposit date: | 2020-03-25 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
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7OA3
 | | Crystal structure of Chili RNA aptamer in complex with DMHBO+ (Iridium hexammine co-crystallized form) | | Descriptor: | Chili RNA Aptamer, DMHBO+, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Mieczkowski, M, Pena, V, Hoebartner, C. | | Deposit date: | 2021-04-19 | | Release date: | 2021-06-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
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7OAX
 | | Crystal structure of the Chili RNA aptamer in complex with DMHBO+ | | Descriptor: | CHLORIDE ION, Chili RNA Aptamer, DMHBO+, ... | | Authors: | Mieczkowski, M, Pena, V, Hoebartner, C. | | Deposit date: | 2021-04-20 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
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6YN9
 | | MALT1(329-728) in complex with a sulfonamide containing compound | | Descriptor: | 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | Renatus, M. | | Deposit date: | 2020-04-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.558 Å) | | Cite: | Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
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7OAW
 | | Crystal structure of the Chili RNA aptamer in complex with DMHBI+ | | Descriptor: | CHLORIDE ION, Chili RNA Aptamer, DMHBI+, ... | | Authors: | Mieczkowski, M, Pena, V, Hoebartner, C. | | Deposit date: | 2021-04-20 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
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