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7JGP	Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate at 318K Descriptor: Ferritin heavy chain, NICKEL (II) ION, SODIUM ION Authors: Bailey, J.B, Tezcan, F.A. Deposit date: 2020-07-19 Release date: 2020-10-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (6.42 Å) Cite: Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J.Am.Chem.Soc., 142, 2020
3G1V	Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 5-fluorouridine 5'-monophosphate Descriptor: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, Orotidine 5'-phosphate decarboxylase Authors: Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. Deposit date: 2009-01-30 Release date: 2009-06-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
3G24	Crystal structure of the mutant D70N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase Authors: Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. Deposit date: 2009-01-30 Release date: 2009-06-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
3DKV	Crystal structure of adenylate kinase variant AKlse1 Descriptor: 1,2-ETHANEDIOL, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... Authors: Bannen, R.M, Bianchetti, C.M, Bingman, C.A, Bitto, E.B. Deposit date: 2008-06-26 Release date: 2009-06-09 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Crystal structure of adenylate kinase variant AKlse1. To be Published
4YCQ	Beta1 synthetic solenoid protein Descriptor: beta1 protein Authors: Murray, J.W. Deposit date: 2015-02-20 Release date: 2016-03-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.405 Å) Cite: Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension. Proc.Natl.Acad.Sci.USA, 113, 2016
5V5K	Crystal structure of ferritin E65R mutant from hyperthermophilic archaeon Archaeoglobus fulgidus Descriptor: Ferritin Authors: Roose, B.W, Pulsipher, K.W. Deposit date: 2017-03-14 Release date: 2017-07-19 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.08 Å) Cite: Thermophilic Ferritin 24mer Assembly and Nanoparticle Encapsulation Modulated by Interdimer Electrostatic Repulsion. Biochemistry, 56, 2017
4Z9L	THE STRUCTURE OF JNK3 IN COMPLEX WITH AN IMIDAZOLE-PYRIMIDINE INHIBITOR Descriptor: CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Scapin, G, Patel, S.B, Lisnock, J, Becker, J.W, Lograsso, P.V, Smart, O.S, Bricogne, G. Deposit date: 2015-04-10 Release date: 2015-05-06 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity. Chem.Biol., 10, 2003
4ZCQ	Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with choline Descriptor: CHOLINE ION, Cholinephosphate cytidylyltransferase Authors: Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. Deposit date: 2015-04-16 Release date: 2016-09-14 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis. Sci Rep, 8, 2018
4RY6	C-terminal mutant (W550A) of HCV/J4 RNA polymerase Descriptor: HCV J4 RNA polymerase (NS5B) Authors: Jaeger, J, Cherry, A, Dennis, C. Deposit date: 2014-12-13 Release date: 2014-12-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.52 Å) Cite: Hydrophobic and Charged Residues in the C-Terminal Arm of Hepatitis C Virus RNA-Dependent RNA Polymerase Regulate Initiation and Elongation. J.Virol., 89, 2015
7UK3	Crystal structure of queuine salvage enzyme DUF2419, wild-type (non-His6x tagged) Descriptor: Queuosine salvage protein DUF2419 Authors: Hung, S.-H, Swairjo, M.A. Deposit date: 2022-03-31 Release date: 2022-12-21 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate. Nucleic Acids Res., 51, 2023
7UGK	Crystal structure of the human queuine salvage enzyme DUF2419, wild-type apo form Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Queuosine salvage protein DUF2419 Authors: Hung, S.-H, Swairjo, M.A. Deposit date: 2022-03-24 Release date: 2022-12-21 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate. Nucleic Acids Res., 51, 2023
7ULC	Crystal structure of queuine salvage enzyme DUF2419 mutant D231N, in complex with queuosine-5'-monophosphate Descriptor: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, Queuosine salvage protein DUF2419 Authors: Hung, S.-H, Swairjo, M.A. Deposit date: 2022-04-04 Release date: 2022-12-21 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate. Nucleic Acids Res., 51, 2023
4Z3K	Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan metabolite xanthurenic acid Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... Authors: Johnsson, K. Deposit date: 2015-03-31 Release date: 2015-11-18 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Tetrahydrobiopterin Biosynthesis as a Potential Target of the Kynurenine Pathway Metabolite Xanthurenic Acid. J.Biol.Chem., 291, 2016
4RY7	C-terminal mutant (D559E) of HCV/J4 RNA polymerase Descriptor: HCV J4 RNA polymerase (NS5B) Authors: Jaeger, J, Cherry, A, Dennis, C. Deposit date: 2014-12-13 Release date: 2014-12-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Hydrophobic and Charged Residues in the C-Terminal Arm of Hepatitis C Virus RNA-Dependent RNA Polymerase Regulate Initiation and Elongation. J.Virol., 89, 2015
7JGN	Crystal Structure of the Zn-bound Human Heavy-chain variant 122H-delta C-star with meta-benzenedihyrdoxamate collected at 100K Descriptor: Ferritin heavy chain, N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide, SODIUM ION, ... Authors: Bailey, J.B, Tezcan, F.A. Deposit date: 2020-07-19 Release date: 2020-10-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J.Am.Chem.Soc., 142, 2020
7JGO	Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate collected at 278K Descriptor: Ferritin heavy chain, NICKEL (II) ION, N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide, ... Authors: Bailey, J.B, Tezcan, F.A. Deposit date: 2020-07-19 Release date: 2020-10-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.08 Å) Cite: Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J.Am.Chem.Soc., 142, 2020
7JGM	Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with meta-benzenedihyrdoxamate Descriptor: Ferritin heavy chain, NICKEL (II) ION, N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide, ... Authors: Bailey, J.B, Tezcan, F.A. Deposit date: 2020-07-19 Release date: 2020-10-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J.Am.Chem.Soc., 142, 2020
7JGL	Crystal Structure of the Zn-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate collected at 100K Descriptor: Ferritin heavy chain, N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide, SODIUM ION, ... Authors: Bailey, J.B, Tezcan, F.A. Deposit date: 2020-07-19 Release date: 2020-10-21 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.34 Å) Cite: Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J.Am.Chem.Soc., 142, 2020
4WZ8	Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6 Descriptor: 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one, Acetyl-CoA carboxylase Authors: Vajdos, F.F. Deposit date: 2014-11-18 Release date: 2014-12-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes. J.Med.Chem., 57, 2014
4TKQ	Native-SAD phasing for YetJ from Bacillus Subtilis Descriptor: CALCIUM ION, CHLORIDE ION, Uncharacterized protein YetJ Authors: Liu, Q, Chang, Y, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) Deposit date: 2014-05-27 Release date: 2014-06-18 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.8025 Å) Cite: Multi-crystal native SAD analysis at 6 keV. Acta Crystallogr.,Sect.D, 70, 2014
3GDT	Crystal structure of the D91N mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae complexed with 6-azauridine 5'-monophosphate Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase Authors: Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. Deposit date: 2009-02-24 Release date: 2009-06-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
4HEC	Crystal structure of a putative uncharacterized protein from Mycobacterium tuberculosis Descriptor: MAGNESIUM ION, Putative uncharacterized protein Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-10-03 Release date: 2012-10-17 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Mycobacterium tuberculosis Rv2179c Protein Establishes a New Exoribonuclease Family with Broad Phylogenetic Distribution. J.Biol.Chem., 289, 2014
3GDM	Crystal structure of the K93R mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae Descriptor: Orotidine 5'-phosphate decarboxylase Authors: Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. Deposit date: 2009-02-24 Release date: 2010-02-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of the K93R mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae. To be Published
5LYQ	Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator. Descriptor: (2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha Authors: Andrei, S.A, Ottmann, C. Deposit date: 2016-09-28 Release date: 2017-04-26 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Designed Spiroketal Protein Modulation. Angew. Chem. Int. Ed. Engl., 56, 2017
4RY5	C-terminal mutant (W550N) of HCV/J4 RNA polymerase Descriptor: HCV J4 RNA polymerase (NS5B), MANGANESE (II) ION, URIDINE 5'-TRIPHOSPHATE Authors: Jaeger, J, Cherry, A, Dennis, C. Deposit date: 2014-12-13 Release date: 2014-12-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.71 Å) Cite: Hydrophobic and Charged Residues in the C-Terminal Arm of Hepatitis C Virus RNA-Dependent RNA Polymerase Regulate Initiation and Elongation. J.Virol., 89, 2015

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