4UBS
 
 | | The crystal structure of cytochrome P450 105D7 from Streptomyces avermitilis in complex with Diclofenac | | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Xu, L.H, Ikeda, H, Arakawa, T, Wakagi, T, Shoun, H, Fushinobu, S. | | Deposit date: | 2014-08-13 | | Release date: | 2014-11-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the 4'-hydroxylation of diclofenac by a microbial cytochrome P450 monooxygenase.
Appl.Microbiol.Biotechnol., 99, 2015
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5K4I
 | | Crystal Structure of ERK2 in complex with compound 22 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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4NOJ
 | | Crystal structure of the mature form of asparaginyl endopeptidase (AEP)/Legumain activated at pH 3.5 | | Descriptor: | Legumain | | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
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4NOL
 | | Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain mutant D233A at pH 7.5 | | Descriptor: | Legumain | | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
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4NOM
 | | Crystal structure of asparaginyl endopeptidase (AEP)/Legumain activated at pH 4.5 | | Descriptor: | Legumain | | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
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4NOK
 | | Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain at pH 7.5 | | Descriptor: | Legumain | | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
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8GDC
 | | Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein | | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S. | | Deposit date: | 2023-03-03 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8GDB
 | | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S. | | Deposit date: | 2023-03-03 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8GDA
 | | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | | Descriptor: | (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S. | | Deposit date: | 2023-03-03 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8GD9
 | | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | | Descriptor: | 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S. | | Deposit date: | 2023-03-03 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6E8D
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6E8E
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8G3E
 | | Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) | | Descriptor: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Zhao, M. | | Deposit date: | 2023-02-07 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
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8G3C
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4DDP
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2FX4
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2FX6
 | | bovine trypsin complexed with 2-aminobenzamidazole | | Descriptor: | 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, Trypsin | | Authors: | Katz, B.A. | | Deposit date: | 2006-02-03 | | Release date: | 2006-02-14 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
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2FWW
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2FPZ
 | | Human tryptase with 2-amino benzimidazole | | Descriptor: | 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2 | | Authors: | Somoza, J.R. | | Deposit date: | 2006-01-17 | | Release date: | 2006-03-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
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2FS8
 | | Human beta-tryptase II with inhibitor CRA-29382 | | Descriptor: | ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2 | | Authors: | Somoza, J.R. | | Deposit date: | 2006-01-21 | | Release date: | 2006-03-21 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
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2G8A
 | | Lactobacillus casei Y261M in complex with substrate, dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase | | Authors: | Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 2006-03-02 | | Release date: | 2006-03-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
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2FS9
 | | Human beta tryptase II with inhibitor CRA-28427 | | Descriptor: | ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE, Tryptase beta-2 | | Authors: | Somoza, J.R. | | Deposit date: | 2006-01-21 | | Release date: | 2006-03-07 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
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2FXR
 | | human beta tryptase II complexed with activated ketone inhibitor CRA-29382 | | Descriptor: | ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2 | | Authors: | Katz, B.A. | | Deposit date: | 2006-02-06 | | Release date: | 2006-02-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
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8GZ8
 | | Cryo-EM structure of Abeta2 fibril polymorph1 | | Descriptor: | peptide self-assembled antimicrobial fibrils | | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | | Deposit date: | 2022-09-26 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
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8GZ9
 | | Cryo-EM structure of Abeta2 fibril polymorph2 | | Descriptor: | peptide self-assembled antimicrobial fibrils | | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | | Deposit date: | 2022-09-26 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
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