5U6X
| COX-1:P6 COMPLEX STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A. | Deposit date: | 2016-12-09 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6). Eur J Med Chem, 138, 2017
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5TTE
| Crystal Structure of an RBR E3 ubiquitin ligase in complex with an E2-Ub thioester intermediate mimic | Descriptor: | E3 ubiquitin-protein ligase ARIH1, Ubiquitin-conjugating enzyme E2 L3, ZINC ION, ... | Authors: | Yuan, L, Lv, Z, Olsen, S.K. | Deposit date: | 2016-11-03 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.501 Å) | Cite: | Structural insights into the mechanism and E2 specificity of the RBR E3 ubiquitin ligase HHARI. Nat Commun, 8, 2017
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5OUK
| Crystal structure of human AKR1B1 complexed with NADP+ and compound 41 | Descriptor: | 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | Deposit date: | 2017-08-24 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.959 Å) | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem, 152, 2018
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5OUJ
| Crystal structure of human AKR1B1 complexed with NADP+ and compound 39 | Descriptor: | 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | Deposit date: | 2017-08-24 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem, 152, 2018
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5OU0
| Crystal structure of human AKR1B1 complexed with NADP+ and compound 37 | Descriptor: | 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | Deposit date: | 2017-08-23 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem, 152, 2018
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5ORF
| Structure of ovine serum albumin in P1 space group | Descriptor: | DI(HYDROXYETHYL)ETHER, PROLINE, Serum albumin, ... | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G, Pietrzyk-Brzezinska, A.J. | Deposit date: | 2017-08-16 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid. Acta Crystallogr D Struct Biol, 73, 2017
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5NCR
| OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity | Descriptor: | PHOSPHATE ION, SULFATE ION, tyrosine phosphatase | Authors: | Segovia, D, Haouz, A, Berois, M, Villarino, A, Andre-Leroux, G. | Deposit date: | 2017-03-06 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | OH1 from Orf Virus: A New Tyrosine Phosphatase that Displays Distinct Structural Features and Triple Substrate Specificity. J. Mol. Biol., 429, 2017
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5MIO
| KIF2C-DARPIN FUSION PROTEIN BOUND TO TUBULIN | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF2C,KIF2C FUSED TO A DARPIN,KIF2C FUSED TO A DARPIN, ... | Authors: | Wang, W, Gigant, B. | Deposit date: | 2016-11-28 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Insight into microtubule disassembly by kinesin-13s from the structure of Kif2C bound to tubulin. Nat Commun, 8, 2017
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5LNK
| Entire ovine respiratory complex I | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4'-PHOSPHOPANTETHEINE, ... | Authors: | Fiedorczuk, K, Letts, J.A, Kaszuba, K, Sazanov, L.A. | Deposit date: | 2016-08-04 | Release date: | 2016-11-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Atomic structure of the entire mammalian mitochondrial complex I. Nature, 538, 2016
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5KX5
| Crystal structure of tubulin-stathmin-TTL-Compound 11 complex | Descriptor: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Parris, K. | Deposit date: | 2016-07-20 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, Synthesis, and Cytotoxic Evaluation of Novel Tubulysin Analogues as ADC Payloads. ACS Med Chem Lett, 7, 2016
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5J8K
| Architecture of supercomplex I-III2 | Descriptor: | COMPLEX I 13KDA/NDUFS6, COMPLEX I 15KDA/NDUFS5, COMPLEX I 18KDA/NDUFS6, ... | Authors: | Letts, J.A, Fiedorczuk, K, Sazanov, L.A. | Deposit date: | 2016-04-08 | Release date: | 2016-09-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | The architecture of respiratory supercomplexes. Nature, 537, 2016
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5J7Y
| Architecture of loose respirasome | Descriptor: | COMPLEX I 13KDA/NDUFS6, COMPLEX I 15KDA/NDUFS5, COMPLEX I 18KDA/NDUFS6, ... | Authors: | Letts, J.A, Fiedorczuk, F, Sazanov, L.A. | Deposit date: | 2016-04-07 | Release date: | 2016-09-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | The architecture of respiratory supercomplexes. Nature, 537, 2016
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5J4Z
| Architecture of tight respirasome | Descriptor: | COMPLEX I 13KDA/NDUFS6, COMPLEX I 15KDA/NDUFS5, COMPLEX I 18KDA/NDUFS6, ... | Authors: | Letts, J.A, Fiedorczuk, K, Sazanov, L.A. | Deposit date: | 2016-04-01 | Release date: | 2016-09-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | The architecture of respiratory supercomplexes. Nature, 537, 2016
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5IVG
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5IN8
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5IMP
| Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Christianson, D.W. | Deposit date: | 2016-03-06 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.038 Å) | Cite: | Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase. Biochemistry, 55, 2016
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5IMN
| Crystal structure of N299A/S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Christianson, D.W. | Deposit date: | 2016-03-06 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.527 Å) | Cite: | Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase. Biochemistry, 55, 2016
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5IMI
| Crystal structure of S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Christianson, D.W. | Deposit date: | 2016-03-06 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.462 Å) | Cite: | Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase. Biochemistry, 55, 2016
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5EYP
| TUBULIN-DARPIN COMPLEX | Descriptor: | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN), GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ahmad, S, Knossow, M, Gigant, B. | Deposit date: | 2015-11-25 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Destabilizing an interacting motif strengthens the association of a designed ankyrin repeat protein with tubulin. Sci Rep, 6, 2016
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5D28
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5D22
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5AX1
| Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.80 angstrom | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | Authors: | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | Deposit date: | 2015-07-10 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum Acta Crystallogr.,Sect.D, 71, 2015
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5AX0
| Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.52 angstrom | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | Authors: | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | Deposit date: | 2015-07-10 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum Acta Crystallogr.,Sect.D, 71, 2015
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5AWZ
| Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.57 angstrom | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | Authors: | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | Deposit date: | 2015-07-10 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum Acta Crystallogr.,Sect.D, 71, 2015
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5AC2
| human aldehyde dehydrogenase 1A1 with duocarmycin analog | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, RETINAL DEHYDROGENASE 1, YTTERBIUM (III) ION, ... | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | Deposit date: | 2015-08-11 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues. Angew.Chem.Int.Ed.Engl., 54, 2015
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