5EW5
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7Z68
| Pseudomonas aeruginosa Elastase in complex with a Thiol based inhibitor (R-and S-configured) | Descriptor: | (2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide, CALCIUM ION, GLYCEROL, ... | Authors: | Klein, A, Hirsch, A. | Deposit date: | 2022-03-11 | Release date: | 2023-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Dual inhibitors of Pseudomonas aeruginosa virulence factors LecA and LasB To Be Published
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4JML
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4ID7
| ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | Descriptor: | Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | Authors: | Jin, M, Wang, J, Kleinberg, A, Kadalbajoo, M, Siu, K, Cooke, A, Bittner, M, Yao, Y, Thelemann, A, Ji, Q, Bhagwat, S, Crew, A.P, Pachter, J, Epstein, D, Mulvihill, M.J. | Deposit date: | 2012-12-11 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4KNB
| C-Met in complex with OSI ligand | Descriptor: | 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | Authors: | Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J. | Deposit date: | 2013-05-09 | Release date: | 2014-04-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases. Bioorg.Med.Chem.Lett., 23, 2013
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7R7P
| Immature HIV-1 CACTD-SP1 lattice with Bevirimat (BVM) and Inositol hexakisphosphate (IP6) | Descriptor: | 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | Authors: | Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T. | Deposit date: | 2021-06-25 | Release date: | 2023-02-15 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Structural basis of HIV-1 maturation inhibitor binding and activity. Nat Commun, 14, 2023
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7R7Q
| Immature HIV-1 CACTD-SP1 lattice with Inositol hexakisphosphate (IP6) | Descriptor: | Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | Authors: | Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T. | Deposit date: | 2021-06-25 | Release date: | 2023-02-15 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Structural basis of HIV-1 maturation inhibitor binding and activity. Nat Commun, 14, 2023
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6I86
| Crocagin biosynthetic gene J | Descriptor: | GLYCEROL, Uncharacterized protein | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2018-11-19 | Release date: | 2019-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of CgnJ, a domain of unknown function protein from the crocagin gene cluster. Acta Crystallogr.,Sect.F, 75, 2019
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8CHH
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8CF4
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8CHG
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8RW3
| Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H. | Deposit date: | 2024-02-02 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition. Chemistry, 30, 2024
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6ZSU
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6ZSV
| Structure of crocagin biosynthetic protein CgnB | Descriptor: | Uncharacterized protein, ZINC ION | Authors: | Koehnke, J, Adam, S. | Deposit date: | 2020-07-16 | Release date: | 2022-07-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis. Nat.Chem., 15, 2023
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4GLR
| Structure of the anti-ptau Fab (pT231/pS235_1) in complex with phosphoepitope pT231/pS235 | Descriptor: | PHOSPHATE ION, anti-ptau heavy chain, anti-ptau light chain, ... | Authors: | Tu, C, Mosyak, L, Bard, J. | Deposit date: | 2012-08-14 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Ultra-specific Avian Antibody to Phosphorylated Tau Protein Reveals a Unique Mechanism for Phosphoepitope Recognition. J.Biol.Chem., 287, 2012
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6SCW
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7PD7
| Crocagin methyl transferase CgnL | Descriptor: | GLYCEROL, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Zheng, D, Koehnke, J. | Deposit date: | 2021-08-04 | Release date: | 2022-08-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis. Nat.Chem., 15, 2023
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8A2N
| Structure of crocagin biosynthetic protein CgnD | Descriptor: | CgnD, SULFATE ION | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2022-06-06 | Release date: | 2023-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis. Nat.Chem., 15, 2023
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4L53
| Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ... | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics. Bioorg.Med.Chem.Lett., 23, 2013
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4L52
| Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1 | Descriptor: | 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. Bioorg.Med.Chem.Lett., 23, 2013
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4L3P
| Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1 | Descriptor: | 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M. | Deposit date: | 2013-06-06 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. Bioorg.Med.Chem.Lett., 23, 2013
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5U1M
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