8A9T
 
 | | Tubulin-[1,2]oxazoloisoindole-1 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | | Deposit date: | 2022-06-29 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas.
Eur.J.Med.Chem., 243, 2022
|
|
4UD7
 | | Structure of the stapled peptide YS-02 bound to MDM2 | | Descriptor: | MDM2, YS-02 | | Authors: | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | | Deposit date: | 2014-12-08 | | Release date: | 2016-01-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
|
|
4UE1
 | | Structure of the stapled peptide YS-01 bound to MDM2 | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 | | Authors: | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | | Deposit date: | 2014-12-14 | | Release date: | 2016-01-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
|
|
5O54
 | | Glycogen Phosphorylase b in complex with 29a | | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Solovou, T.G.A, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2017-05-31 | | Release date: | 2017-09-27 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
|
|
1BMF
 | | BOVINE MITOCHONDRIAL F1-ATPASE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE, MAGNESIUM ION, ... | | Authors: | Abrahams, J.P, Leslie, A.G.W, Lutter, R, Walker, J.E. | | Deposit date: | 1996-03-13 | | Release date: | 1996-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure at 2.8 A resolution of F1-ATPase from bovine heart mitochondria.
Nature, 370, 1994
|
|
1BOF
 | | GI-ALPHA-1 BOUND TO GDP AND MAGNESIUM | | Descriptor: | GI ALPHA 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Coleman, D.E, Sprang, S.R. | | Deposit date: | 1998-08-04 | | Release date: | 1999-01-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the G protein Gi alpha 1 complexed with GDP and Mg2+: a crystallographic titration experiment.
Biochemistry, 37, 1998
|
|
1COW
 | | BOVINE MITOCHONDRIAL F1-ATPASE COMPLEXED WITH AUROVERTIN B | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AUROVERTIN B, BOVINE MITOCHONDRIAL F1-ATPASE, ... | | Authors: | van Raaij, M.J, Abrahams, J.P, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 1996-05-08 | | Release date: | 1996-08-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structure of bovine F1-ATPase complexed with the antibiotic inhibitor aurovertin B.
Proc.Natl.Acad.Sci.USA, 93, 1996
|
|
1CZI
 | | CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972 | | Descriptor: | CHYMOSIN, CP-113972 (NORSTATINE-S-METHYL CYSTEINE-IODO-PHENYLALANINE-PROLINE) | | Authors: | Groves, M.R, Dhanaraj, V, Pitts, J.E, Badasso, M, Hoover, D, Nugent, P, Blundell, T.L. | | Deposit date: | 1997-01-15 | | Release date: | 1997-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A 2.3 A resolution structure of chymosin complexed with a reduced bond inhibitor shows that the active site beta-hairpin flap is rearranged when compared with the native crystal structure.
Protein Eng., 11, 1998
|
|
1CQJ
 | | CRYSTAL STRUCTURE OF DEPHOSPHORYLATED E. COLI SUCCINYL-COA SYNTHETASE | | Descriptor: | COENZYME A, PHOSPHATE ION, SUCCINYL-COA SYNTHETASE ALPHA CHAIN, ... | | Authors: | Joyce, M.A, Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | | Deposit date: | 1999-08-06 | | Release date: | 2000-01-10 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | ADP-binding site of Escherichia coli succinyl-CoA synthetase revealed by x-ray crystallography.
Biochemistry, 39, 2000
|
|
7GGO
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-8b8a49e1-4 (Mpro-x12682) | | Descriptor: | (4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.687 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
9B46
 | |
7GGP
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with VLA-UCB-29506327-1 (Mpro-x12686) | | Descriptor: | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
7GH2
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-090737b9-1 (Mpro-x12735) | | Descriptor: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
9B9R
 | |
7GH4
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-00c1612e-1 (Mpro-x12777) | | Descriptor: | 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
7GH5
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TRY-UNI-714-12 (Mpro-x2908) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
9C20
 | | The Sialidase NanJ in complex with Neu5,9Ac | | Descriptor: | 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, exo-alpha-sialidase | | Authors: | Medley, B.J, Low, K.E, Garber, J.M, Gray, T.E, Leeann, L.L, Fordwour, O.B, Inglis, G.D, Boons, G.J, Zandberg, W.F, Abbott, W, Boraston, A. | | Deposit date: | 2024-05-30 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | NanJ sialidase in complex with Neu5,9Ac
To Be Published
|
|
9BON
 | | Crystal structure of glucosyltransferase (GTD) domain of TpeL | | Descriptor: | TpeL | | Authors: | Gill, S, Sugiman-Marangos, S.N, Beilhartz, G.L, Mei, E, Taipale, M, Melnyk, R.A. | | Deposit date: | 2024-05-05 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.222 Å) | | Cite: | A diphtheria toxin-like intracellular delivery platform that evades pre-existing antidrug antibodies.
Embo Mol Med, 2024
|
|
9GG1
 | | P301T type I tau filaments from human brain | | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | | Authors: | Schweighauser, M, Shi, Y, Murzin, A.G, Garringer, H.J, Vidal, R, Murrell, J.R, Erro, M.E, Seelaar, H, Ferrer, I, van Swieten, J.C, Ghetti, B, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2024-08-12 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.26 Å) | | Cite: | Novel tau filament folds in individuals with MAPT mutations P301L and P301T.
Biorxiv, 2024
|
|
9GG0
 | | P301L tau filaments from human brain | | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | | Authors: | Schweighauser, M, Shi, Y, Murzin, A.G, Garringer, H.J, Vidal, R, Murrell, J.R, Erro, M.E, Seelaar, H, Ferrer, I, van Swieten, J.C, Ghetti, B, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2024-08-12 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Novel tau filament folds in individuals with MAPT mutations P301L and P301T.
Biorxiv, 2024
|
|
9CYP
 | | Crystal structure of I19V mutant human PTP1B (PTPN1) at room temperature (298 K) | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
|
|
9CYO
 | | Crystal structure of wild-type human PTP1B (PTPN1) at room temperature (298 K) | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
|
|
9CYQ
 | | Crystal structure of Q78R mutant human PTP1B (PTPN1) at room temperature (298 K) | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
|
|
6UTM
 | | Native E. coli Glyceraldehyde 3-phosphate dehydrogenase | | Descriptor: | GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ... | | Authors: | Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A. | | Deposit date: | 2019-10-29 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
|
|
9C4B
 | | Second BAF53a of the human TIP60 complex | | Descriptor: | Actin-like protein 6A | | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | Deposit date: | 2024-06-03 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
|
|
