3H61
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with norcantharidin (which is present in the structure in the hydrolyzed form) | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H60
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Mn2+ atoms | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H63
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H67
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms complexed with cantharidic acid | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H62
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with cantharidic acid | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H69
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms complexed with endothall | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H68
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H64
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with endothall | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
3H66
| Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms | Descriptor: | Serine/threonine-protein phosphatase 5, ZINC ION | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
|
|
5N5J
| Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate | Descriptor: | 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | Authors: | Calderone, V. | Deposit date: | 2017-02-14 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX). J. Med. Chem., 60, 2017
|
|
5N5K
| |
3N2V
| |
3N2U
| Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(4-methoxy-N(2-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)ethyl)phenylsulfonamido)acetamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide, ... | Authors: | Calderone, V. | Deposit date: | 2010-05-19 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs). Eur.J.Med.Chem., 45, 2010
|
|
8PH4
| Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ... | Authors: | Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H. | Deposit date: | 2023-06-18 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies. Acs Chem.Biol., 19, 2024
|
|
6TI5
| A New Structural Model of Abeta(1-40) Fibrils | Descriptor: | Amyloid-beta precursor protein | Authors: | Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A. | Deposit date: | 2019-11-21 | Release date: | 2020-07-22 | Last modified: | 2023-06-14 | Method: | SOLID-STATE NMR | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
|
|
3LK8
| |
7PCU
| Crystal structure of YTHDF1 YTH domain in complex with ebselen | Descriptor: | N-phenyl-2-selanylbenzamide, YTH domain-containing family protein 1 | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | Deposit date: | 2021-08-04 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
|
|
7QKN
| Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 7 | Descriptor: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | Deposit date: | 2021-12-18 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
|
|
7QL7
| Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 9 | Descriptor: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | Deposit date: | 2021-12-19 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
|
|
5LAB
| |
3F1A
| |
3F19
| |
3F16
| |
3F17
| |
3F15
| |