2R77
 
 | | Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum | | Descriptor: | Phosphatidylethanolamine-binding protein, putative | | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Crombette, L, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-07 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum.
To be Published
|
|
7PJR
 | | Notum_ARUK3000438 | | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Vecchia, L, Zhao, Y, Fish, P, Jones, E.Y. | | Deposit date: | 2021-08-24 | | Release date: | 2022-09-07 | | Last modified: | 2023-03-22 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
|
|
7PK3
 | | Notum_ARUK3001185 | | Descriptor: | 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Vecchia, L, Hillier, J, Zhao, Y, Fish, P, Jones, E.Y. | | Deposit date: | 2021-08-25 | | Release date: | 2022-09-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
|
|
7PKV
 | | Notum_Inhibitor ARUK3000223 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Ruza, R, Zhao, Y, Fish, P, Jones, E.Y. | | Deposit date: | 2021-08-26 | | Release date: | 2022-09-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
|
|
2RMC
 | | Crystal structure of murine cyclophilin C complexed with immunosuppressive drug cyclosporin A | | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE C | | Authors: | Ke, H, Zhao, Y, Luo, F, Weissman, I, Friedman, J. | | Deposit date: | 1994-01-07 | | Release date: | 1995-02-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of Murine Cyclophilin C Complexed with Immunosuppressive Drug Cyclosporin A
Proc.Natl.Acad.Sci.USA, 90, 1993
|
|
6F5U
 | | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH BEPRIDIL | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bepridil, DIMETHYL SULFOXIDE, ... | | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | | Deposit date: | 2017-12-03 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
|
|
6YM0
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | | Descriptor: | Spike glycoprotein, heavy chain, light chain | | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.36 Å) | | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
|
|
6YOR
 | | Structure of the SARS-CoV-2 spike S1 protein in complex with CR3022 Fab | | Descriptor: | IgG H chain, IgG L chain, Spike glycoprotein | | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Duyvesteyn, H.M.E, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I. | | Deposit date: | 2020-04-15 | | Release date: | 2020-04-29 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
|
|
6YLA
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | | Deposit date: | 2020-04-06 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
|
|
6YXI
 | | Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vecchia, L, Jones, E.Y, Ruza, R.R, Hillier, J, Zhao, Y. | | Deposit date: | 2020-05-01 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
|
|
6Z97
 | | Structure of the prefusion SARS-CoV-2 spike glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | Authors: | Duyvesteyn, H.M.E, Ren, J, Zhao, Y, Zhou, D, Huo, J, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I. | | Deposit date: | 2020-06-03 | | Release date: | 2020-07-01 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
|
|
6ZDH
 | | SARS-CoV-2 Spike glycoprotein in complex with a neutralizing antibody EY6A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-06-14 | | Release date: | 2020-07-01 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6ZFO
 | | Association of two complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-06-17 | | Release date: | 2020-07-08 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6ZCZ
 | | Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ... | | Authors: | Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-06-12 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6ZDG
 | | Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-06-14 | | Release date: | 2020-07-29 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6ZER
 | | Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with EY6A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ... | | Authors: | Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-06-16 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
|
|
3O19
 | | Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid | | Descriptor: | OLEIC ACID, PALMITIC ACID, Prostaglandin-H2 D-isomerase | | Authors: | Zhou, Y, Shaw, N, Li, Y, Zhao, Y, Zhang, R, Liu, Z.-J. | | Deposit date: | 2010-07-21 | | Release date: | 2010-09-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid
To be Published
|
|
3O2Y
 | | Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid | | Descriptor: | GLYCEROL, OLEIC ACID, PALMITIC ACID, ... | | Authors: | Zhou, Y, Shaw, N, Li, Y, Zhao, Y, Zhang, R, Liu, Z.-J. | | Deposit date: | 2010-07-23 | | Release date: | 2010-09-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid
To be Published
|
|
3O22
 | | Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid | | Descriptor: | OLEIC ACID, PALMITIC ACID, Prostaglandin-H2 D-isomerase | | Authors: | Zhou, Y, Shaw, N, Li, Y, Zhao, Y, Zhang, R, Liu, Z.-J. | | Deposit date: | 2010-07-22 | | Release date: | 2010-09-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid
To be Published
|
|
4ZP0
 | | Crystal structure of E. coli multidrug transporter MdfA in complex with deoxycholate | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, LAURYL DIMETHYLAMINE-N-OXIDE, Multidrug transporter MdfA | | Authors: | Zhang, X.C, Heng, J, Zhao, Y, Wang, X. | | Deposit date: | 2015-05-07 | | Release date: | 2015-08-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substrate-bound structure of the E. coli multidrug resistance transporter MdfA
Cell Res., 25, 2015
|
|
4ZOW
 | | Crystal structure of E. coli multidrug transporter MdfA in complex with chloramphenicol | | Descriptor: | CHLORAMPHENICOL, Multidrug transporter MdfA | | Authors: | Zhang, X.C, Heng, J, Zhao, Y, Wang, X. | | Deposit date: | 2015-05-07 | | Release date: | 2015-08-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Substrate-bound structure of the E. coli multidrug resistance transporter MdfA
Cell Res., 25, 2015
|
|
6PNY
 | | X-ray Structure of Flpp3 | | Descriptor: | Flpp3 | | Authors: | Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P. | | Deposit date: | 2019-07-03 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
|
|
8F78
 | | Compound 1 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-18 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
|
|
7CO8
 | | Ternary complex of DNA polymerase Mu with 2-nt gapped DNA (T:dGMPNPP) | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ... | | Authors: | Guo, M, Zhao, Y. | | Deposit date: | 2020-08-04 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
|
|
7COC
 | | Ternary complex of DNA polymerase Mu (K438A/Q441A) with 1-nt gapped DNA (T:dGMPNPP) | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), ... | | Authors: | Guo, M, Zhao, Y. | | Deposit date: | 2020-08-04 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Nat Commun, 12, 2021
|
|
