7RRC
| IDO1 IN COMPLEX WITH COMPOUND 14 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-03-16 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
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7RRB
| IDO1 IN COMPLEX WITH COMPOUND 9 | Descriptor: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-03-16 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
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8ER6
| FKBP12-FRB in Complex with Compound 11 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8EWU
| X-ray structure of the GDP-6-deoxy-4-keto-D-lyxo-heptose-4-reductase from Campylobacter jejuni HS:15 | Descriptor: | 1,2-ETHANEDIOL, GDP-L-fucose synthase, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Thoden, J.B, Xiang, D.F, Ghosh, M.K, Riegert, A.S, Raushel, F.M, Holden, H.M. | Deposit date: | 2022-10-24 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Bifunctional Epimerase/Reductase Enzymes Facilitate the Modulation of 6-Deoxy-Heptoses Found in the Capsular Polysaccharides of Campylobacter jejuni. Biochemistry, 62, 2023
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7VML
| Structure of recombinant RyR2 (EGTA dataset, class 1&2, closed state) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMN
| Structure of recombinant RyR2 (EGTA dataset, class 2, closed state) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMO
| Structure of recombinant RyR2 (Ca2+ dataset, class 1, open state) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMP
| Structure of recombinant RyR2 (Ca2+ dataset, class 2, open state) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMQ
| Structure of recombinant RyR2 (Ca2+ dataset, class 3, open state) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations Nat Commun, 13, 2022
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7VMM
| Structure of recombinant RyR2 (EGTA dataset, class 1, closed state) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMS
| Structure of recombinant RyR2 mutant K4593A (Ca2+ dataset) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations Nat Commun, 13, 2022
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7VMR
| Structure of recombinant RyR2 mutant K4593A (EGTA dataset) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VF6
| The crystal structure of PurZ0 | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, ... | Authors: | Tong, Y, Zhang, Y. | Deposit date: | 2021-09-10 | Release date: | 2023-05-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Alternative Z-genome biosynthesis pathway shows evolutionary progression from Archaea to phage. Nat Microbiol, 8, 2023
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8FOZ
| Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; filament assembly interface reconstruction | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-01-03 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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8FUZ
| Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; filament assembly interface reconstruction | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-01-18 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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8FUR
| Crystal structure of human IDO1 with compound 11 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea | Authors: | Critton, D.A, Lewis, H.A. | Deposit date: | 2023-01-18 | Release date: | 2023-04-26 | Last modified: | 2023-05-03 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1. Bioorg.Med.Chem.Lett., 88, 2023
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6YLZ
| X-ray structure of the K72I,Y129F,R133L, H199A quadruple mutant of PNP-oxidase from E. coli | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.558 Å) | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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6YMH
| X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP | Descriptor: | FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | Deposit date: | 2020-04-08 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.417 Å) | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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6Z3X
| Crystal structure of the designed antibody DesAb-anti-HSA-P1 | Descriptor: | CACODYLATE ION, DesAb-anti-HSA-P1, IMIDAZOLE, ... | Authors: | Costanzi, E, Sormanni, P, Ricagno, S. | Deposit date: | 2020-05-22 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment-based computational design of antibodies targeting structured epitopes. Sci Adv, 8, 2022
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6ZXQ
| Adenylosuccinate Synthetase from H. pylori in complex with HDA, GDP, IMO, Mg | Descriptor: | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE, Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Bubic, A, Stefanic, Z. | Deposit date: | 2020-07-30 | Release date: | 2021-08-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The pursuit of new alternative ways to eradicate Helicobacter pylori continues: Detailed characterization of interactions in the adenylosuccinate synthetase active site Int.J.Biol.Macromol., 2023
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6ZWM
| cryo-EM structure of human mTOR complex 2, overall refinement | Descriptor: | ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T. | Deposit date: | 2020-07-28 | Release date: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The 3.2- angstrom resolution structure of human mTORC2. Sci Adv, 6, 2020
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6ZWO
| cryo-EM structure of human mTOR complex 2, focused on one half | Descriptor: | ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T. | Deposit date: | 2020-07-28 | Release date: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The 3.2- angstrom resolution structure of human mTORC2. Sci Adv, 6, 2020
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7A62
| Structure of human indoleamine-2,3-dioxygenase 1 (hIDO1) with a complete JK loop | Descriptor: | CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Mirgaux, M, Wouters, J. | Deposit date: | 2020-08-24 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43796444 Å) | Cite: | Influence of the presence of the heme cofactor on the JK-loop structure in indoleamine 2,3-dioxygenase 1. Acta Crystallogr D Struct Biol, 76, 2020
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7ANH
| DdhaC | Descriptor: | GDP-L-fucose synthase | Authors: | Naismith, J.H, Woodward, L. | Deposit date: | 2020-10-11 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | DdhaC To Be Published
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7ANC
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