1XF7
 
 | | High Resolution NMR Structure of the Wilms' Tumor Suppressor Protein (WT1) Finger 3 | | Descriptor: | Wilms' Tumor Protein, ZINC ION | | Authors: | Lachenmann, M.J, Ladbury, J.E, Dong, J, Huang, K, Carey, P, Weiss, M.A. | | Deposit date: | 2004-09-14 | | Release date: | 2004-12-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Why zinc fingers prefer zinc: ligand-field symmetry and the hidden thermodynamics of metal ion selectivity
Biochemistry, 43, 2004
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1XRZ
 | | NMR Structure of a Zinc Finger with Cyclohexanylalanine Substituted for the Central Aromatic Residue | | Descriptor: | ZINC ION, Zinc finger Y-chromosomal protein | | Authors: | Lachenmann, M.J, Ladbury, J.E, Qian, X, Huang, K, Singh, R, Weiss, M.A. | | Deposit date: | 2004-10-17 | | Release date: | 2004-11-30 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Solvation and the hidden thermodynamics of a zinc finger probed
by nonstandard repair of a protein crevice
Protein Sci., 13, 2004
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1KLR
 | | NMR Structure of the ZFY-6T[Y10F] Zinc Finger | | Descriptor: | ZINC FINGER Y-CHROMOSOMAL PROTEIN, ZINC ION | | Authors: | Lachenmann, M.J, Ladbury, J.E, Phillips, N.B, Narayana, N, Qian, X, Weiss, M.A. | | Deposit date: | 2001-12-12 | | Release date: | 2002-03-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The hidden thermodynamics of a zinc finger.
J.Mol.Biol., 316, 2002
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1KLS
 | | NMR Structure of the ZFY-6T[Y10L] Zinc Finger | | Descriptor: | ZINC FINGER Y-CHROMOSOMAL PROTEIN, ZINC ION | | Authors: | Lachenmann, M.J, Ladbury, J.E, Phillips, N.B, Narayana, N, Qian, X, Weiss, M.A. | | Deposit date: | 2001-12-12 | | Release date: | 2002-03-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The hidden thermodynamics of a zinc finger.
J.Mol.Biol., 316, 2002
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7Z2K
 | | Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 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: | 2022-02-28 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
To Be Published
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6H6U
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6H6T
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7Z3U
 | | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | | 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: | 2022-03-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7Z58
 | | Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | | Descriptor: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | | 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: | 2022-03-08 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7Z3T
 | | Crystal structure of apo human Cathepsin L | | Descriptor: | 1,2-ETHANEDIOL, 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: | 2022-03-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 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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6QGM
 | | VirX1 apo structure | | Descriptor: | VirX1 | | Authors: | Gkotsi, D.S, Ludewig, H, Sharma, S.V, Unsworth, W.P, Taylor, R.J.K, McLachlan, M.M.W, Shanahan, S, Naismith, J.H, Goss, R.J.M. | | Deposit date: | 2019-01-11 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A marine viral halogenase that iodinates diverse substrates.
Nat.Chem., 11, 2019
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1HZ3
 | | ALZHEIMER'S DISEASE AMYLOID-BETA PEPTIDE (RESIDUES 10-35) | | Descriptor: | A-BETA AMYLOID | | Authors: | Zhang, S, Iwata, K, Lachenmann, M.J, Peng, J.W, Li, S, Stimson, E.R, Lu, Y, Felix, A.M, Maggio, J.E, Lee, J.P. | | Deposit date: | 2001-01-23 | | Release date: | 2001-01-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The Alzheimer's peptide a beta adopts a collapsed coil structure in water.
J.Struct.Biol., 130, 2000
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1NJ0
 | | NMR structure of a V3 (MN isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | | Descriptor: | Exterior membrane glycoprotein(GP120) | | Authors: | Sharon, M, Kessler, N, Levy, R, Zolla-Pazner, S, Gorlach, M, Anglister, J. | | Deposit date: | 2002-12-30 | | Release date: | 2003-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Alternative Conformations of HIV-1 V3 Loops Mimic
beta Hairpins in Chemokines, Suggesting a Mechanism
for Coreceptor Selectivity.
Structure, 11, 2003
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1NIZ
 | | NMR structure of a V3 (MN isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | | Descriptor: | Exterior membrane glycoprotein(GP120) | | Authors: | Sharon, M, Kessler, N, Levy, R, Zolla-Pazner, S, Gorlach, M, Anglister, J. | | Deposit date: | 2002-12-30 | | Release date: | 2003-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Alternative Conformations of HIV-1 V3 Loops Mimic
beta Hairpins in Chemokines, Suggesting a Mechanism
for Coreceptor Selectivity.
Structure, 11, 2003
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1Z30
 | | NMR structure of the apical part of stemloop D from cloverleaf 1 of bovine enterovirus 1 RNA | | Descriptor: | 5'-R(*GP*GP*CP*GP*UP*UP*CP*GP*UP*UP*AP*GP*AP*AP*CP*GP*UP*C)-3' | | Authors: | Ihle, Y, Ohlenschlager, O, Duchardt, E, Ramachandran, R, Gorlach, M. | | Deposit date: | 2005-03-10 | | Release date: | 2005-04-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | A novel cGUUAg tetraloop structure with a conserved yYNMGg-type backbone conformation from cloverleaf 1 of bovine enterovirus 1 RNA
Nucleic Acids Res., 33, 2005
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2K8D
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1B75
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6RFL
 | | Structure of the complete Vaccinia DNA-dependent RNA polymerase complex | | Descriptor: | DNA-dependent RNA polymerase subunit rpo132, DNA-dependent RNA polymerase subunit rpo147, DNA-dependent RNA polymerase subunit rpo18, ... | | Authors: | Grimm, C, Hillen, S.H, Bedenk, K, Bartuli, J, Neyer, S, Zhang, Q, Huettenhofer, A, Erlacher, M, Dienemann, C, Schlosser, A, Urlaub, H, Boettcher, B, Szalay, A.A, Cramer, P, Fischer, U. | | Deposit date: | 2019-04-15 | | Release date: | 2019-12-11 | | Last modified: | 2019-12-25 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural Basis of Poxvirus Transcription: Vaccinia RNA Polymerase Complexes.
Cell, 179, 2019
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2F8B
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2EWL
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2JYM
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