7HHB
 
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1263529721 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
5Z3S
 | | Crystal structure of butanol modified signaling protein from buffalo (SPB-40) at 1.65 A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-BUTANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Singh, P.K, Chaudhary, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2018-01-08 | | Release date: | 2018-02-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies.
Arch. Biochem. Biophys., 644, 2018
|
|
9C98
 | | Yeast 20S proteasome soaked with isolated TMC-86A | | Descriptor: | MAGNESIUM ION, N-[(2S)-3-hydroxy-1-{[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]amino}-1-oxopropan-2-yl]butanamide, Probable proteasome subunit alpha type-7, ... | | Authors: | Meneghello, R, Rustiguel, J.K. | | Deposit date: | 2024-06-13 | | Release date: | 2025-04-30 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | High-throughput protein crystallography to empower natural product-based drug discovery.
Acta Crystallogr.,Sect.F, 81, 2025
|
|
7HGE
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z45527714 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-N-methylbenzene-1-sulfonamide, Hepatoma-derived growth factor-related protein 2, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
6T2Q
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
|
|
7SOC
 | |
7HG6
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z839706072 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, Hepatoma-derived growth factor-related protein 2, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HGR
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z104924088 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(propan-2-yl)piperazin-1-yl]pyrimidine, Hepatoma-derived growth factor-related protein 2, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HGO
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z431807512 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7AO8
 | | Structure of the MTA1/HDAC1/MBD2 NURD deacetylase complex | | Descriptor: | Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ... | | Authors: | Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. | | Deposit date: | 2020-10-14 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
|
|
7HG7
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z46169164 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
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
|
|
7HGM
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z438067480 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-{[(4R)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamide, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HH0
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z57390007 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HGL
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z137790394 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine, Hepatoma-derived growth factor-related protein 2, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7WQQ
 | | Retinoic acid receptor alpha mutant - N299H | | Descriptor: | 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid, Peptide from Nuclear receptor coactivator 1, Retinoic acid receptor alpha | | Authors: | Huang, X.X, Ng, L.M, Teh, B.T. | | Deposit date: | 2022-01-25 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Effects of breast fibroepithelial tumor associated retinoic acid receptor alpha ligand binding domain mutations on receptor function and retinoid signaling
To Be Published
|
|
7HHK
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1247413608 | | Descriptor: | 1,2-ETHANEDIOL, 1-(methanesulfonyl)piperidin-4-ol, Hepatoma-derived growth factor-related protein 2, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
2FR9
 | | NMR structure of the alpha-conotoxin GI (SER12)-benzoylphenylalanine derivative | | Descriptor: | Alpha-conotoxin GI | | Authors: | Pashkov, V.S, Maslennikov, I.V, Kasheverov, I.E, Zhmak, M.N, Utkin, Y.N, Tsetlin, V.I, Arseniev, A.S. | | Deposit date: | 2006-01-19 | | Release date: | 2006-05-30 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Alpha-Conotoxin GI benzoylphenylalanine derivatives. (1)H-NMR structures and photoaffinity labeling of the Torpedo californica nicotinic acetylcholine receptor.
Febs J., 273, 2006
|
|
6LVS
 | |
8JHL
 | | GDP-bound KRAS G12D in complex with YK-8S | | Descriptor: | 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one, GTPase KRas, N-terminally processed, ... | | Authors: | Zhang, Z.M, Wang, R.L. | | Deposit date: | 2023-05-23 | | Release date: | 2024-01-31 | | Last modified: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.10004044 Å) | | Cite: | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
|
|
1NDW
 | | Crystal Structure of Adenosine Deaminase Complexed with FR221647 | | Descriptor: | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION | | Authors: | Kinoshita, T. | | Deposit date: | 2002-12-09 | | Release date: | 2003-12-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004
|
|
7HH6
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z54633859 | | Descriptor: | 1,2-ETHANEDIOL, 2-[methyl(pyridin-2-yl)amino]ethan-1-ol, Hepatoma-derived growth factor-related protein 2, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HH2
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1238477757 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N,N-dimethylpiperazine-1-carboxamide, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HGF
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1262433643 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(thiophen-3-yl)methyl]piperidin-4-ol, Hepatoma-derived growth factor-related protein 2, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
6LTK
 | | HSP90 in complex with SNX-2112 | | Descriptor: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha | | Authors: | Cao, H.L. | | Deposit date: | 2020-01-22 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | Complex Crystal Structure Determination and in vitro Anti-non-small Cell Lung Cancer Activity of Hsp90 N Inhibitor SNX-2112.
Front Cell Dev Biol, 9, 2021
|
|
