7QCT
 
 | | PDZ2 of LNX2 with SARS-CoV-2_E PBM complex | | Descriptor: | Envelope small membrane protein, Ligand of Numb protein X 2 | | Authors: | Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C. | | Deposit date: | 2021-11-25 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.197 Å) | | Cite: | Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.
Front Microbiol, 13, 2022
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7LVI
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | | Descriptor: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2021-02-25 | | Release date: | 2021-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
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5M1A
 | | Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand | | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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7LVH
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE | | Descriptor: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ... | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2021-02-25 | | Release date: | 2021-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
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7ZPG
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND | | Descriptor: | Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone | | Authors: | Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L. | | Deposit date: | 2022-04-27 | | Release date: | 2022-09-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature.
Plos One, 17, 2022
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3W7Z
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1AV5
 | | PKCI-SUBSTRATE ANALOG | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PROTEIN KINASE C INTERACTING PROTEIN | | Authors: | Lima, C.D, Klein, M.G, Hendrickson, W.A. | | Deposit date: | 1997-09-25 | | Release date: | 1998-03-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
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5WI8
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5BPU
 | | Crystal structure of Norrin, a Wnt signalling activator, Crystal Form I | | Descriptor: | (GGL)EEE, (GGL)EEEEEE, Norrin | | Authors: | Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y. | | Deposit date: | 2015-05-28 | | Release date: | 2015-07-01 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan.
Elife, 4, 2015
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1BTG
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5WIW
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7GSS
 | | Human glutathione S-transferase P1-1, complex with glutathione | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1 | | Authors: | Oakley, A, Parker, M. | | Deposit date: | 1997-08-13 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
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5MBY
 | | Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and GlyPro ligand | | Descriptor: | GLYCEROL, GLYCINE, HYDROXIDE ION, ... | | Authors: | Wilk, P, Piwowarczyk, R, Mueller, U, Dobbek, H, Weiss, M.S. | | Deposit date: | 2016-11-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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8Q5K
 | | PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2t : 2-(4-(3-((6-chloro-1-(2-methoxyethyl)-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, Multiple virulence factor regulator MvfR | | Authors: | Markham-Lee, Z.J, Emsley, J. | | Deposit date: | 2023-08-09 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design, Synthesis, and Evaluation of New 1 H -Benzo[ d ]imidazole Based PqsR Inhibitors as Adjuvant Therapy for Pseudomonas aeruginosa Infections.
J.Med.Chem., 67, 2024
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8Q5L
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5FHI
 | | Crystallographic structure of PsoE without Co | | Descriptor: | GLUTATHIONE, Glutathione S-transferase, putative | | Authors: | Hara, K, Hashimoto, H, Yamamoto, T, Tsunematsu, Y, Watanabe, K. | | Deposit date: | 2015-12-22 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Oxidative trans to cis Isomerization of Olefins in Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 55, 2016
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5BQB
 | | Crystal structure of Norrin, a Wnt signalling activator, Crystal Form III | | Descriptor: | CHLORIDE ION, CITRIC ACID, Norrin | | Authors: | Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y. | | Deposit date: | 2015-05-28 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan.
Elife, 4, 2015
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2AEL
 | | R304K Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-Azabisabolene | | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-07-22 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Role of arginine-304 in the diphosphate-triggered active site closure mechanism of trichodiene synthase.
Biochemistry, 44, 2005
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5MPT
 | | Structure of the citrinin polyketide synthase CMeT domain | | Descriptor: | 1,2-ETHANEDIOL, Citrinin polyketide synthase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Herbst, D.A, Storm, P.A, Townsend, C.A, Maier, T. | | Deposit date: | 2016-12-19 | | Release date: | 2017-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.648 Å) | | Cite: | Functional and Structural Analysis of Programmed C-Methylation in the Biosynthesis of the Fungal Polyketide Citrinin.
Cell Chem Biol, 24, 2017
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5MC1
 | | Crystal Structure of Asp276Asn mutant of Human Prolidase with Mn ions and GlyPro ligand | | Descriptor: | GLYCEROL, GLYCINE, MANGANESE (II) ION, ... | | Authors: | Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S. | | Deposit date: | 2016-11-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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2A5H
 | | 2.1 Angstrom X-ray crystal structure of lysine-2,3-aminomutase from Clostridium subterminale SB4, with Michaelis analog (L-alpha-lysine external aldimine form of pyridoxal-5'-phosphate). | | Descriptor: | IRON/SULFUR CLUSTER, L-lysine 2,3-aminomutase, LYSINE, ... | | Authors: | Lepore, B.W, Ruzicka, F.J, Frey, P.A, Ringe, D. | | Deposit date: | 2005-06-30 | | Release date: | 2005-10-04 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The X-ray crystal structure of lysine-2,3-aminomutase from Clostridium subterminale.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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5WMT
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7CDA
 | | Crystal structure of T2R-TTL-PAC complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.659 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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5WGQ
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-BCP1 | | Descriptor: | ESTRADIOL, Estrogen receptor, SRC2-BCP1 | | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Siddiqui, Z, Greene, G.L, Tajkhorshid, E, Moore, T.W. | | Deposit date: | 2017-07-14 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A "cross-stitched" peptide with improved helicity and proteolytic stability.
Org. Biomol. Chem., 16, 2018
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7CE8
 | | Crystal structure of T2R-TTL-Compound11 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | Deposit date: | 2020-06-22 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.725 Å) | | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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