7G10
 
 | Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 1-[(4-chloro-2-phenoxyphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES OC1=CC(=O)N(C=C1)Cc1ccc(cc1Oc1ccccc1)Cl with IC50=0.115 microM | Descriptor: | 4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2025-08-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands. Acta Crystallogr D Struct Biol, 81, 2025
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5X3R
 
 | Crystal structure of the SmcR complexed with QStatin | Descriptor: | 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole, LuxR family transcriptional regulator, SULFATE ION | Authors: | Jang, S.Y, Hwang, J, Kim, M.H. | Deposit date: | 2017-02-07 | Release date: | 2018-01-24 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | QStatin, a Selective Inhibitor of Quorum Sensing inVibrioSpecies MBio, 9, 2018
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5AXU
 
 | Crystal Structure of Cypovirus Polyhedra R13A Mutant | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Abe, S, Ijiri, H, Negishi, H, Yamanaka, H, Sasaki, K, Hirata, K, Mori, H, Ueno, T. | Deposit date: | 2015-08-01 | Release date: | 2015-11-11 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Enzyme-Encapsulated Protein Containers by In Vivo Crystal Engineering Adv. Mater. Weinheim, 27, 2015
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1EN9
 
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5VQJ
 
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6DP1
 
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6DPF
 
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6P1D
 
 | Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor | Descriptor: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-19 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6SU2
 
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8QAX
 
 | Medicago truncatula HISN5 (IGPD) in complex with MN, FMT, GOL and TRS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ... | Authors: | Witek, W, Ruszkowski, M. | Deposit date: | 2023-08-23 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting. Front Plant Sci, 15, 2024
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7WWI
 
 | SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab in the class 1 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 55A8 heavy chain, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-02-13 | Release date: | 2023-02-15 | Last modified: | 2025-06-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab in the class 1 conformation To Be Published
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6DOC
 
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6DOO
 
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6DP0
 
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6DPJ
 
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7Z8D
 
 | Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Petrova, T, Meents, A, Fufina, T.Y, Vasilieva, L.G. | Deposit date: | 2022-03-17 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV) To Be Published
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3KFL
 
 | Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2009-10-27 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Leishmania major methionyl-tRNA synthetase in complex with intermediate products methionyladenylate and pyrophosphate. Biochimie, 93, 2011
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5Z55
 
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9F8D
 
 | Crystal structure of human monoacylglycerol lipase in complex with compound 7i | Descriptor: | 1,2-ETHANEDIOL, 6-[4-(5-chloranyl-1~{H}-indol-3-yl)piperidin-1-yl]carbonyl-4~{H}-1,4-benzoxazin-3-one, Monoglyceride lipase | Authors: | Kuhn, B, Ritter, M, Hornsperger, B, Bell, C, Kocer, B, Rombach, D, Richter, H, Grether, U, Gobbi, L, Kuratli, M, Collin, L, Benz, J. | Deposit date: | 2024-05-06 | Release date: | 2025-01-22 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structure-Guided Discovery of cis -Hexahydro-pyrido-oxazinones as Reversible, Drug-like Monoacylglycerol Lipase Inhibitors. J.Med.Chem., 67, 2024
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7EH1
 
 | Thermus thermophilus transcription initiation complex containing a template-strand purine at position TSS-2, GpG RNA primer, and CMPcPP | Descriptor: | 1,4-BUTANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (27-MER), ... | Authors: | Li, L, Zhang, Y. | Deposit date: | 2021-03-27 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Promoter-sequence determinants and structural basis of primer-dependent transcription initiation in Escherichia coli . Proc.Natl.Acad.Sci.USA, 118, 2021
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7ZD0
 
 | Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase inhibited by Cd2+ ions | Descriptor: | 1,3-PROPANDIOL, 1,4-BUTANEDIOL, ADENOSINE, ... | Authors: | Malecki, P.H, Gawel, M, Brzezinski, K. | Deposit date: | 2022-03-29 | Release date: | 2023-04-19 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A closer look at molecular mechanisms underlying inhibition of S -adenosyl-L-homocysteine hydrolase by transition metal cations. Chem.Commun.(Camb.), 60, 2024
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6ZUS
 
 | Crystal structure of the effector Ecp11-1 from Fulvia fulva | Descriptor: | DI(HYDROXYETHYL)ETHER, Extracellular protein 11-1, GLYCEROL, ... | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | Deposit date: | 2020-07-23 | Release date: | 2021-08-04 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
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8QAW
 
 | Medicago truncatula HISN5 (IGPD) in complex with MN, IMD, EDO, FMT, GOL and TRS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Witek, W, Ruszkowski, M. | Deposit date: | 2023-08-23 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting. Front Plant Sci, 15, 2024
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9BR7
 
 | Crystal structure of human succinyl-CoA:glutarate-CoA transferase (SUGCT) in complex with Losartan carboxylic acid | Descriptor: | AMMONIUM ION, SULFATE ION, Succinate--hydroxymethylglutarate CoA-transferase, ... | Authors: | Wu, R, Lazarus, M.B. | Deposit date: | 2024-05-10 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Characterization, Structure, and Inhibition of the Human Succinyl-CoA:glutarate-CoA Transferase, a Putative Genetic Modifier of Glutaric Aciduria Type 1. Acs Chem.Biol., 19, 2024
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6ZUQ
 
 | Crystal structure of the effector Ecp11-1 from Fulvia fulva | Descriptor: | Extracellular protein 11-1, GLYCEROL, ZINC ION | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | Deposit date: | 2020-07-23 | Release date: | 2021-08-04 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
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