3H3P
| Crystal structure of HIV epitope-scaffold 4E10 Fv complex | Descriptor: | 4E10_S0_1TJLC_004_N, CALCIUM ION, Fv 4E10 heavy chain, ... | Authors: | Holmes, M.A. | Deposit date: | 2009-04-16 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interactions between lipids and human anti-HIV antibody 4E10 can be reduced without ablating neutralizing activity J.Virol., 84, 2010
|
|
6KTH
| Crystal structure of Juvenile hormone diol kinase JHDK-L2 from silkworm, Bombyx mori | Descriptor: | CALCIUM ION, GLYCEROL, Juvenile hormone diol kinase | Authors: | Zhang, Y.S, Xu, H.Y, Wang, Z, Zhang, L, Zhao, P, Guo, P.C. | Deposit date: | 2019-08-28 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Structural characterization and functional analysis of juvenile hormone diol kinase from the silkworm, Bombyx mori. Int.J.Biol.Macromol., 167, 2021
|
|
4XWW
| Crystal structure of RNase J complexed with RNA | Descriptor: | DR2417, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y. | Deposit date: | 2015-01-29 | Release date: | 2015-12-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J Nucleic Acids Res., 43, 2015
|
|
6OMM
| Cryo-EM structure of formyl peptide receptor 2/lipoxin A4 receptor in complex with Gi | Descriptor: | CHOLESTEROL, 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: | Zhuang, Y, Liu, H, de Waal, P.W, Zhou, X.E, Wang, L, Meng, X, Zhao, G, Kang, Y, Melcher, K, Xu, H.E, Zhang, C. | Deposit date: | 2019-04-19 | Release date: | 2020-02-26 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structure of formylpeptide receptor 2-Gicomplex reveals insights into ligand recognition and signaling. Nat Commun, 11, 2020
|
|
6PWC
| A complex structure of arrestin-2 bound to neurotensin receptor 1 | Descriptor: | Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ... | Authors: | Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E. | Deposit date: | 2019-07-22 | Release date: | 2019-12-04 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | A complex structure of arrestin-2 bound to a G protein-coupled receptor. Cell Res., 29, 2019
|
|
6XOG
| Structure of SUMO1-ML786519 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
|
|
6XOH
| Structure of SUMO1-ML00789344 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
|
|
6XOI
| Structure of SUMO1-ML00752641 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
|
|
7YK7
| Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex | 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-2, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Xu, H.E, Yang, D.H, Liu, H, Wang, M.W. | Deposit date: | 2022-07-21 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
|
|
7YK6
| Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex | Descriptor: | 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine, 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: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W. | Deposit date: | 2022-07-21 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
|
|
7YJ4
| Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi complex | 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-2, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W. | Deposit date: | 2022-07-19 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
|
|
4MZD
| High resolution crystal structure of the nisin leader peptidase NisP from Lactococcus lactis | Descriptor: | Nisin leader peptide-processing serine protease NisP | Authors: | Rao, Z.H, Xu, Y.Y, Li, X, Yang, W. | Deposit date: | 2013-09-30 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure of the nisin leader peptidase NisP revealing a C-terminal autocleavage activity. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4XWT
| Crystal structure of RNase J complexed with UMP | Descriptor: | DR2417, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y. | Deposit date: | 2015-01-29 | Release date: | 2015-12-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J Nucleic Acids Res., 43, 2015
|
|
6UXY
| PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8 | Descriptor: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Palte, R.L, Schneider, S.E. | Deposit date: | 2019-11-08 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). Acs Med.Chem.Lett., 11, 2020
|
|
6UXX
| PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a | Descriptor: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | Palte, R.L, Schneider, S.E. | Deposit date: | 2019-11-08 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5). Acs Med.Chem.Lett., 11, 2020
|
|
8IGO
| Crystal structure of apo SARS-CoV-2 main protease | Descriptor: | 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
|
|
8IGN
| Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
|
|
8IUL
| Cryo-EM structure of the latanoprost-bound human PTGFR-Gq complex | Descriptor: | Antibody fragment scFv16, G subunit alpha (q), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wu, C, Xu, Y, Xu, H.E. | Deposit date: | 2023-03-24 | Release date: | 2023-07-12 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
|
|
8IUK
| Cryo-EM structure of the PGF2-alpha-bound human PTGFR-Gq complex | Descriptor: | (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ... | Authors: | Wu, C, Xu, Y, Xu, H.E. | Deposit date: | 2023-03-24 | Release date: | 2023-07-12 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
|
|
8IUM
| Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex | Descriptor: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ... | Authors: | Wu, C, Xu, Y, Xu, H.E. | Deposit date: | 2023-03-24 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
|
|
8HTR
| Crystal structure of Bcl2 in complex with S-9c | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
|
|
8HTS
| Crystal structure of Bcl2 in complex with S-10r | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
|
|
8H8J
| Lodoxamide-bound GPR35 in complex with G13 | Descriptor: | 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid), CALCIUM ION, CHOLESTEROL, ... | Authors: | Yuan, Q, Duan, J, Liu, Q, Xu, H.E, Jiang, Y. | Deposit date: | 2022-10-23 | Release date: | 2023-02-08 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Insights into divalent cation regulation and G 13 -coupling of orphan receptor GPR35. Cell Discov, 8, 2022
|
|
7KW1
| Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
|
|
7KVX
| Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
|
|