4X7J
| Co-crystal Structure of PERK with 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide inhibitor | Descriptor: | 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | Deposit date: | 2014-12-09 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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6WJB
| UDP-GlcNAc C4-epimerase from Pseudomonas protegens in complex with NAD and UDP-GlcNAc | Descriptor: | NAD-dependent epimerase/dehydratase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Marmont, L.S, Pfoh, R, Robinson, H, Howell, P.L. | Deposit date: | 2020-04-13 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | PelX is a UDP-N-acetylglucosamine C4-epimerase involved in Pel polysaccharide-dependent biofilm formation. J.Biol.Chem., 295, 2020
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6BKJ
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6D10
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4X7N
| Co-crystal Structure of PERK bound to 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | Descriptor: | 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | Deposit date: | 2014-12-09 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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5LLB
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4X7K
| Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | Descriptor: | 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ... | Authors: | Shaffer, P.L, Long, A.M, Chen, H. | Deposit date: | 2014-12-09 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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5LL0
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5FNQ
| Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FZN
| Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2016-03-15 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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6XI1
| Crystal structure of tetra-tandem repeat in extending RTX adhesin from Aeromonas hydrophila | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ye, Q, Vance, T.D.R, Conroy, B, Davies, P.L. | Deposit date: | 2020-06-19 | Release date: | 2020-10-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Essential role of calcium in extending RTX adhesins to their target. J Struct Biol X, 4, 2020
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6XNR
| Crystal structure of Rhagium Mordax antifreeze protein | Descriptor: | 1,2-ETHANEDIOL, Antifreeze protein | Authors: | Ye, Q, Eves, R, Campbell, R.L, Davies, P.L. | Deposit date: | 2020-07-04 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of an insect antifreeze protein reveals ordered waters on the ice-binding surface. Biochem.J., 477, 2020
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8DHH
| DHODH IN COMPLEX WITH LIGAND 29 | Descriptor: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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8DHG
| DHODH IN COMPLEX WITH LIGAND 19 | Descriptor: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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8DHF
| DHODH IN COMPLEX WITH LIGAND 11 | Descriptor: | (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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4CHV
| The electron crystallography structure of the cAMP-bound potassium channel MloK1 | Descriptor: | CYCLIC NUCLEOTIDE-GATED POTASSIUM CHANNEL MLL3241, POTASSIUM ION | Authors: | Kowal, J, Chami, M, Baumgartner, P, Arheit, M, Chiu, P.L, Rangl, M, Scheuring, S, Schroeder, G.F, Nimigean, C.M, Stahlberg, H. | Deposit date: | 2013-12-04 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | ELECTRON CRYSTALLOGRAPHY (7 Å) | Cite: | Ligand-Induced Structural Changes in the Cyclic Nucleotide-Modulated Potassium Channel Mlok1 Nat.Commun., 5, 2014
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8E76
| Cryo-EM structure of Apo form ME3 | Descriptor: | NADP-dependent malic enzyme, mitochondrial | Authors: | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | Deposit date: | 2022-08-23 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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8E8O
| Cryo-EM structure of human ME3 in the presence of citrate | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, mitochondrial | Authors: | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | Deposit date: | 2022-08-25 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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8E78
| Cryo-EM structure of human ME3 in the presence of citrate | Descriptor: | NADP-dependent malic enzyme, mitochondrial | Authors: | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | Deposit date: | 2022-08-23 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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4DN0
| PelD 156-455 from Pseudomonas aeruginosa PA14 in complex with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative uncharacterized protein pelD, SODIUM ION, ... | Authors: | Whitney, J.C, Colvin, K.M, Marmont, L.S, Robinson, H, Parsek, M.R, Howell, P.L. | Deposit date: | 2012-02-08 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Cytoplasmic Region of PelD, a Degenerate Diguanylate Cyclase Receptor That Regulates Exopolysaccharide Production in Pseudomonas aeruginosa. J.Biol.Chem., 287, 2012
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8EYO
| Crystal Structure of Human Mitochondrial NADP+ Malic Enzyme 3 with NADP bound | Descriptor: | CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, ... | Authors: | Shaffer, P.L, Grell, T.A.J, Mason, M, Thompson, A.A, Riley, D, Wagner, M.V, Steele, R, Ortiz-Meoz, R, Wadia, J, Sharma, S, Yu, X. | Deposit date: | 2022-10-28 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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8EYN
| Crystal Structure of Human Mitochondrial NADP+ Malic Enzyme 3 in Apo Form | Descriptor: | CITRIC ACID, NADP-dependent malic enzyme, mitochondrial | Authors: | Shaffer, P.L, Grell, T.A.J, Mason, M, Thompson, A.A, Riley, D, Wagner, M.V, Steele, R, Ortiz-Meoz, R, Wadia, J, Sharma, S, Yu, X. | Deposit date: | 2022-10-28 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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4CBF
| Near-atomic resolution cryo-EM structure of Dengue serotype 4 virus | Descriptor: | ENVELOPE PROTEIN E, M PROTEIN | Authors: | Kostyuchenko, V.A, Chew, P.L, Ng, T.S, Lok, S.M. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Near-Atomic Resolution Cryo-Electron Microscopic Structure of Dengue Serotype 4 Virus. J.Virol., 88, 2014
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8D9O
| De Novo Photosynthetic Reaction Center Protein in Apo-State | Descriptor: | CADMIUM ION, Reaction Center Maquette | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2022-06-10 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Rational design of photosynthetic reaction center protein maquettes. Front Mol Biosci, 9, 2022
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8D9P
| De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) cations | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2022-06-10 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational design of photosynthetic reaction center protein maquettes. Front Mol Biosci, 9, 2022
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