7JT0
 
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576 | | Descriptor: | 3C-like proteinase, PHOSPHATE ION, thiophene-2-carbaldehyde | | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | | Deposit date: | 2020-08-16 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
|
|
7JT7
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 | | Descriptor: | 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | | Deposit date: | 2020-08-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
|
|
6LYR
 | | Structure of the BAM complex | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Xiao, L, Huang, Y. | | Deposit date: | 2020-02-15 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
|
|
6AKW
 | | Crystal structure of RNA dioxygenase bound with an inhibitor | | Descriptor: | 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO | | Authors: | Yang, C.-G, Huang, Y, Gan, J. | | Deposit date: | 2018-09-04 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia.
Cancer Cell, 35, 2019
|
|
8JGF
 | | CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | | Descriptor: | BAM8-22, 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: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | | Deposit date: | 2023-05-20 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
|
|
8JGG
 | | CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22 | | Descriptor: | BAM8-22, 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: | Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | | Deposit date: | 2023-05-20 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
|
|
8JGB
 | | CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2 | | Descriptor: | Conorfamide-Tx2, 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: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | | Deposit date: | 2023-05-20 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
|
|
7BQ7
 | | Crystal structure of 2019-nCoV nsp16-nsp10 complex | | Descriptor: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | | Authors: | Yan, L.M, Huang, Y.C, Lou, Z.Y, Rao, Z.H. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal structure of 2019-nCoV nsp16-nsp10 complex
To Be Published
|
|
7BTF
 | | SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | | Deposit date: | 2020-04-01 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
|
|
4Y25
 | | Bacterial polysaccharide outer membrane secretin | | Descriptor: | Poly-beta-1,6-N-acetyl-D-glucosamine export protein | | Authors: | Wang, Y, AndolePannuri, A, Ni, D, Zhou, H, Cao, X, Lu, X, Romeo, T, Huang, Y. | | Deposit date: | 2015-02-09 | | Release date: | 2016-03-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Structural Basis for Translocation of a Biofilm-supporting Exopolysaccharide across the Bacterial Outer Membrane
J.Biol.Chem., 291, 2016
|
|
7RIJ
 | | [I11G]hyen D | | Descriptor: | ACETATE ION, Cyclotide hyen-D, D-[I11L]hyen D | | Authors: | Du, Q, Huang, Y.H, Wang, C.K, Craik, D.J. | | Deposit date: | 2021-07-20 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
|
|
7RII
 | | [I11L]hyen D crystal structure | | Descriptor: | Cyclotide hyen-D, PHOSPHATE ION | | Authors: | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | | Deposit date: | 2021-07-20 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
|
|
5ZZ2
 | | Crystal structure of PDE5 in complex with inhibitor LW1634 | | Descriptor: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2018-05-29 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
|
|
7DEP
 | | S. aureus SsbB with 5-FU | | Descriptor: | 5-FLUOROURACIL, Single-stranded DNA-binding protein | | Authors: | Lin, E.S, Huang, Y.H, Huang, C.Y. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.094 Å) | | Cite: | Crystal structure of the single-stranded DNA-binding protein SsbB in complex with the anticancer drug 5-fluorouracil: Extension of the 5-fluorouracil interactome to include the oligonucleotide/oligosaccharide-binding fold protein
Biochem.Biophys.Res.Commun., 534, 2020
|
|
6OB5
 | | Computationally-designed, modular sense/response system (S3-2D) | | Descriptor: | Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ... | | Authors: | Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T. | | Deposit date: | 2019-03-19 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.208 Å) | | Cite: | Computational design of a modular protein sense-response system.
Science, 366, 2019
|
|
6AIO
 | | Crystal structure of p-nitrophenol 4-monooxygenase PnpA from Pseudomonas putida DLL-E4 | | Descriptor: | PnpA | | Authors: | Chen, Q.Z, Huang, Y, Duan, Y.J, Li, Z.K, Liu, W.D, Cui, Z.L. | | Deposit date: | 2018-08-24 | | Release date: | 2018-10-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structure of p-nitrophenol 4-monooxygenase PnpA from Pseudomonas putida DLL-E4: The key enzyme involved in p-nitrophenol degradation.
Biochem. Biophys. Res. Commun., 504, 2018
|
|
8XIO
 | | Structure of L797591-SSTR1 G protein complex | | Descriptor: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide, G-alpha-i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y. | | Deposit date: | 2023-12-19 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
|
|
8XIR
 | | Structure of pasireotide-SSTR3 G protein complex | | Descriptor: | G-alpha i, 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: | Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y. | | Deposit date: | 2023-12-19 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
|
|
8XIQ
 | | Structure of L796778-SSTR3 G protein complex | | Descriptor: | G-alpha i, 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: | Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y. | | Deposit date: | 2023-12-19 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
|
|
8XIP
 | | Structure of Pasireotide-SSTR1 G protein complex | | Descriptor: | 004-DTR-LYS-TY5-PHE-A1D5E, G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y. | | Deposit date: | 2023-12-19 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
|
|
6AWJ
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-MeO-N5Pan with pantothenate present in reaction | | Descriptor: | (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase | | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | Deposit date: | 2017-09-05 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
|
|
6AWI
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N5Pan | | Descriptor: | (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase | | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | Deposit date: | 2017-09-05 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
|
|
5H0O
 | | Crystal structure of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease with manganese ion | | Descriptor: | HNH endonuclease, MANGANESE (II) ION | | Authors: | Zhang, L.K, Xu, D.D, Huang, Y.C, Gong, Y. | | Deposit date: | 2016-10-06 | | Release date: | 2017-03-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural and functional characterization of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease.
Sci Rep, 7, 2017
|
|
5H0M
 | | Crystal structure of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease with zinc ion | | Descriptor: | HNH endonuclease, ZINC ION | | Authors: | Zhang, L.K, Xu, D.D, Huang, Y.C, Gong, Y. | | Deposit date: | 2016-10-05 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural and functional characterization of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease
Sci Rep, 7, 2017
|
|
8KCI
 | | ATP-bound hMRP5 outward-open | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 5, MAGNESIUM ION | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-08-07 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.94 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
|
|
