1OAA
| MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ... | Authors: | Auerbach, G, Herrmann, A, Bacher, A, Huber, R. | Deposit date: | 1997-08-25 | Release date: | 1999-02-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
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1NAS
| SEPIAPTERIN REDUCTASE COMPLEXED WITH N-ACETYL SEROTONIN | Descriptor: | N-ACETYL SEROTONIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, ... | Authors: | Auerbach, G, Herrmann, A, Bacher, A, Huber, R. | Deposit date: | 1998-03-26 | Release date: | 1999-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
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1FBX
| CRYSTAL STRUCTURE OF ZINC-CONTAINING E.COLI GTP CYCLOHYDROLASE I | Descriptor: | CHLORIDE ION, GTP CYCLOHYDROLASE I, ZINC ION | Authors: | Auerbach, G, Herrmann, A, Bracher, A, Bader, A, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A. | Deposit date: | 2000-07-17 | Release date: | 2001-02-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Zinc plays a key role in human and bacterial GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 97, 2000
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1JG5
| CRYSTAL STRUCTURE OF RAT GTP CYCLOHYDROLASE I FEEDBACK REGULATORY PROTEIN, GFRP | Descriptor: | GTP CYCLOHYDROLASE I FEEDBACK REGULATORY PROTEIN, POTASSIUM ION | Authors: | Bader, G, Schiffmann, S, Herrmann, A, Fischer, M, Gutlich, M, Auerbach, G, Ploom, T, Bacher, A, Huber, R, Lemm, T. | Deposit date: | 2001-06-23 | Release date: | 2001-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of rat GTP cyclohydrolase I feedback regulatory protein, GFRP. J.Mol.Biol., 312, 2001
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1FB1
| CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I | Descriptor: | GTP CYCLOHYDROLASE I, ISOPROPYL ALCOHOL, ZINC ION | Authors: | Auerbach, G, Herrmann, A, Bracher, A, Bader, G, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A. | Deposit date: | 2000-07-14 | Release date: | 2000-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Zinc plays a key role in human and bacterial GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 97, 2000
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1SEP
| MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND SEPIAPTERIN | Descriptor: | BIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SEPIAPTERIN REDUCTASE | Authors: | Auerbach, G, Herrmann, A, Guetlich, M, Fischer, M, Jacob, U, Bacher, A, Huber, R. | Deposit date: | 1997-05-23 | Release date: | 1999-01-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
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2KRB
| Solution structure of EIF3B-RRM bound to EIF3J peptide | Descriptor: | Eukaryotic translation initiation factor 3 subunit B, Eukaryotic translation initiation factor 3 subunit J | Authors: | Elantak, L, Wagner, S, Herrmannova, A, Janoskova, M, Rutkai, E, Lukavsky, P.J, Valasek, L. | Deposit date: | 2009-12-16 | Release date: | 2010-01-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The indispensable N-terminal half of eIF3j/HCR1 co-operates with
its structurally conserved binding partner eIF3b/PRT1-RRM and eIF1A in
stringent AUG selection To be Published
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3ZWL
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7OUK
| BDM88855 inhibitor bound to the transmembrane domain of AcrB | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2021-06-12 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nat Commun, 13, 2022
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7OUL
| BDM88832 inhibitor bound to the transmembrane domain of AcrB-R971A | Descriptor: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2021-06-12 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nat Commun, 13, 2022
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7OUM
| BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A | Descriptor: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 3-chloranyl-2-piperazin-1-yl-quinoline, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2021-06-12 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nat Commun, 13, 2022
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7Q10
| Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-17 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa To Be Published
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7Q1D
| Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-18 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | 3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa To Be Published
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7Q0Q
| Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-16 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism To Be Published
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8QKB
| Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777 | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-09-14 | Release date: | 2023-09-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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8C3D
| Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | Deposit date: | 2022-12-23 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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8AHV
| Crystal structure of human cathepsin L in complex with calpain inhibitor XII | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate, 1,2-ETHANEDIOL, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-07-22 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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8B4F
| Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-09-20 | Release date: | 2023-09-27 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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8C77
| Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-01-12 | Release date: | 2023-01-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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7Q1X
| Acetyltrasferase(3) type IIIa in complex with neomycin B | Descriptor: | Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism To Be Published
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7QGW
| Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ... | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | Deposit date: | 2021-12-10 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKB
| Crystal structure of human Cathepsin L in complex with covalently bound GC376 | Descriptor: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKA
| Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKC
| Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | Descriptor: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKD
| Crystal structure of human Cathepsin L in complex with covalently bound MG132 | Descriptor: | ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 2024
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