5Y6D
 
 | |
5Y6E
 | |
6IJX
 | | Crystal Structure of AKR1C1 complexed with meclofenamic acid | | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | | Deposit date: | 2018-10-12 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
|
|
8HSC
 | | Gi bound Orphan GPR20 complex with Fab046 in ligand-free state | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Lin, X, Jiang, S, Xu, F. | | Deposit date: | 2022-12-19 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
|
|
8HS3
 | | Gi bound orphan GPR20 in ligand-free state | | Descriptor: | Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Lin, X, Jiang, S, Xu, F. | | Deposit date: | 2022-12-16 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
|
|
8HS2
 | | Orphan GPR20 in complex with Fab046 | | Descriptor: | Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046 | | Authors: | Lin, X, Jiang, S, Xu, F. | | Deposit date: | 2022-12-16 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
|
|
1RJZ
 | | Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and Herpies Simplex Virus Mutant Glycoprotein B Peptide | | Descriptor: | Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ... | | Authors: | Miley, M.J, Messaoudi, I, Nikolich-Zugich, J, Fremont, D.H. | | Deposit date: | 2003-11-20 | | Release date: | 2004-12-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for the Restoration of TCR Recognition of an MHC Allelic Variant by Peptide Secondary Anchor Substitution
J.Exp.Med., 200, 2004
|
|
1RJY
 | | Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and Herpes Simplex Virus Glycoprotein B Peptide | | Descriptor: | Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ... | | Authors: | Miley, M.J, Messaoudi, I, Nikolich-Zugich, J, Fremont, D.H. | | Deposit date: | 2003-11-20 | | Release date: | 2004-12-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for the Restoration of TCR Recognition of an MHC Allelic Variant by Peptide Secondary Anchor Substitution
J.Exp.Med., 200, 2004
|
|
8I0C
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
|
|
8IOO
 | |
8HT3
 | |
8KFX
 | | Gi bound CCR8 complex with nonpeptide agonist LMD-009 | | Descriptor: | 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Jiang, S, Lin, X, Wu, L.J, Xu, F. | | Deposit date: | 2023-08-16 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
|
|
8KFZ
 | | Gi bound CCR8 in ligand free state | | Descriptor: | C-C chemokine receptor type 8,LgBiT fusion protein,Recombinant Human Rhinovirus, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Jiang, S, Lin, X, Wu, L.J, Xu, F. | | Deposit date: | 2023-08-16 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
|
|
8KFY
 | | Gi bound CCR8 complex with nonpeptide agonist ZK 756326 | | Descriptor: | 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Jiang, S, Lin, X, Wu, L.J, Xu, F. | | Deposit date: | 2023-08-16 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
|
|
3TYA
 | |
3TYB
 | | Dihydropteroate Synthase in complex with pHBA and DHP+ | | Descriptor: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, P-HYDROXYBENZOIC ACID, ... | | Authors: | Yun, M.-K, White, S.W. | | Deposit date: | 2011-09-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
|
|
2QQO
 | | Crystal Structure of the a2b1b2 Domains from Human Neuropilin-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Appleton, B.A, Wiesmann, C. | | Deposit date: | 2007-07-26 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
|
|
2QQM
 | | Crystal Structure of the a2b1b2 Domains from Human Neuropilin-1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Appleton, B.A, Wiesmann, C. | | Deposit date: | 2007-07-26 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
|
|
2QQN
 | |
2QQK
 | |
4DJV
 | | Structure of BACE Bound to 2-imino-5-(3'-methoxy-[1,1'-biphenyl]-3-yl)-3-methyl-5-phenylimidazolidin-4-one | | Descriptor: | (2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2012-02-02 | | Release date: | 2012-03-21 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
5ZNL
 | | Crystal structure of PDE10A catalytic domain complexed with LHB-6 | | Descriptor: | MAGNESIUM ION, N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine, ZINC ION, ... | | Authors: | Li, Z, Huang, Y, Zhan, C.G, Luo, H.B. | | Deposit date: | 2018-04-09 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Absolute Binding Free Energy Calculation and Design of a Subnanomolar Inhibitor of Phosphodiesterase-10.
J. Med. Chem., 62, 2019
|
|
6K0Y
 | | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor | | Descriptor: | 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ... | | Authors: | Liu, J.X, Wang, G.Q. | | Deposit date: | 2019-05-08 | | Release date: | 2019-12-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor.
Sci Rep, 9, 2019
|
|
4DJW
 | |
4DJU
 | | Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | | Descriptor: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2012-02-02 | | Release date: | 2012-03-21 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
