6W0Y
 
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6WPC
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6XKD
 | | Structure of ligand-bound mouse cGAMP hydrolase ENPP1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Fernandez, D, Li, L. | | Deposit date: | 2020-06-26 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP.
Cell Chem Biol, 27, 2020
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8LYZ
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5MU6
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound | | Descriptor: | 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Perez-Dorado, I, Bell, A.S, Tate, E.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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5NGE
 | | Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671 | | Descriptor: | 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D. | | Deposit date: | 2017-03-17 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
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5NGF
 | | Crystal structure of USP7 in complex with the covalent inhibitor, FT827 | | Descriptor: | 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide | | Authors: | Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D. | | Deposit date: | 2017-03-17 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
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6BWE
 | | Sortase A from Corynebacterium diphtheriae, lid mutant | | Descriptor: | Putative fimbrial associated sortase-like protein | | Authors: | Osipiuk, J, Chang, C, Huang, I.H, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-12-14 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In vitro reconstitution of sortase-catalyzed pilus polymerization reveals structural elements involved in pilin cross-linking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5LRQ
 | | BRD4 in complex with ERK5 inhibitor XMD8-92 | | Descriptor: | 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | Authors: | Martin, M.P, Noble, M.E.M. | | Deposit date: | 2016-08-19 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
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6BOF
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4WG5
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4WG3
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4WKB
 | | Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | | Authors: | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | | Deposit date: | 2014-10-02 | | Release date: | 2015-08-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
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4WG4
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3ZLO
 | | Crystal structure of BCL-XL in complex with inhibitor (Compound 6) | | Descriptor: | 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1 | | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | | Deposit date: | 2013-02-04 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
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3ZLR
 | | Crystal structure of BCL-XL in complex with inhibitor (WEHI-539) | | Descriptor: | 1,2-ETHANEDIOL, 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | | Deposit date: | 2013-02-04 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.026 Å) | | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
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3ZK6
 | | Crystal structure of Bcl-xL in complex with inhibitor (Compound 2). | | Descriptor: | BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide | | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | | Deposit date: | 2013-01-22 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
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3ZLN
 | | Crystal structure of BCL-XL in complex with inhibitor (Compound 3) | | Descriptor: | 1,2-ETHANEDIOL, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | | Deposit date: | 2013-02-04 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
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3ZCM
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3LZM
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6N4D
 | | The crystal structure of neuramindase from A/canine/IL/11613/2015 (H3N2) influenza virus. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yang, H, Stevens, J. | | Deposit date: | 2018-11-19 | | Release date: | 2019-01-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States.
J. Infect. Dis., 216, 2017
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6N4F
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6OVB
 | | Crystal structure of a Bacillus thuringiensis Cry1Da tryptic core variant | | Descriptor: | Active core crystal toxin protein 1D | | Authors: | Rydel, T.J, Halls, C, Evdokimov, A.G, Beishir, S.C. | | Deposit date: | 2019-05-07 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.611 Å) | | Cite: | Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith).
Appl.Environ.Microbiol., 85, 2019
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7JWB
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6OWK
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