6JK9
| Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-14 | Descriptor: | 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitinase | Authors: | Jiang, X, Yang, Q. | Deposit date: | 2019-02-27 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.312 Å) | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors. J.Med.Chem., 63, 2020
|
|
6JVB
| |
6JV9
| Crystal Structure of Human CRMP2 1-532, unmodified | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dihydropyrimidinase-related protein 2, ... | Authors: | Jiang, X, Ogawa, T, Hirokawa, N. | Deposit date: | 2019-04-16 | Release date: | 2019-10-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis. Life Sci Alliance, 2, 2019
|
|
7C92
| Structure of Serratia marcescens chitinase B complexed with compound 6k | Descriptor: | 6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase | Authors: | Jiang, X, Yuan, P.T. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Discovery of novel Chitinase Inhibitors with a scaffold of dipyridopyrimidine-3-carboxamide via Structure-based Rational Design To Be Published
|
|
7CB1
| Structure of Serratia marcescens chitinase B complexed with compound 6q | Descriptor: | 6-azanyl-11-methyl-2-oxidanylidene-N-[(1S)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide, Chitinase B | Authors: | Jiang, X, Yuan, P.T. | Deposit date: | 2020-06-10 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of novel Chitinase Inhibitors with a scaffold of dipyridopyrimidine-3-carboxamide via Structure-based Rational Design To Be Published
|
|
6JK6
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 2-8-s2 | Descriptor: | 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitotriosidase-1 | Authors: | Jiang, X, Yang, Q. | Deposit date: | 2019-02-27 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors. J.Med.Chem., 63, 2020
|
|
6VKX
| Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851 | Descriptor: | DI(HYDROXYETHYL)ETHER, Outer capsid protein VP4, TETRAETHYLENE GLYCOL | Authors: | Xu, S, McGinnis, K.R, Jiang, X, Kennedy, M.A. | Deposit date: | 2020-01-22 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
8EF5
| Fentanyl-bound mu-opioid receptor-Gi complex | 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, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EF6
| Morphine-bound mu-opioid receptor-Gi complex | Descriptor: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EFO
| PZM21-bound mu-opioid receptor-Gi complex | 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, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EFL
| SR17018-bound mu-opioid receptor-Gi complex | Descriptor: | 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EFB
| Oliceridine-bound mu-opioid receptor-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-1, ... | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
8EFQ
| DAMGO-bound mu-opioid receptor-Gi complex | Descriptor: | DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
|
|
5WBI
| |
7SPT
| Crystal structure of exofacial state human glucose transporter GLUT3 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | Authors: | Wang, N, Jiang, X, Yan, N. | Deposit date: | 2021-11-03 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for inhibiting human glucose transporters by exofacial inhibitors. Nat Commun, 13, 2022
|
|
7SPS
| Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | Authors: | Wang, N, Jiang, X, Yan, N. | Deposit date: | 2021-11-03 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for inhibiting human glucose transporters by exofacial inhibitors. Nat Commun, 13, 2022
|
|
3RZF
| Crystal Structure of Inhibitor of kappaB kinase beta (I4122) | Descriptor: | (4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone, MGC80376 protein | Authors: | Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H. | Deposit date: | 2011-05-11 | Release date: | 2011-05-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal structure of inhibitor of KappaB kinase Beta. Nature, 472, 2011
|
|
6UT9
| Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 | Descriptor: | Outer capsid protein VP4 | Authors: | Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-10-29 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6FXN
| Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain | Authors: | Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P. | Deposit date: | 2018-03-09 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors. Nat Commun, 9, 2018
|
|
5DPM
| |
1Z1D
| Structural Model for the interaction between RPA32 C-terminal domain and SV40 T antigen origin binding domain. | Descriptor: | Large T antigen, Replication protein A 32 kDa subunit | Authors: | Arunkumar, A.I, Klimovich, V, Jiang, X, Ott, R.D, Mizoue, L, Fanning, E, Chazin, W.J. | Deposit date: | 2005-03-03 | Release date: | 2005-05-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Insights into hRPA32 C-terminal domain--mediated assembly of the simian virus 40 replisome. Nat.Struct.Mol.Biol., 12, 2005
|
|
6NIW
| Crystal structure of P[6] rotavirus | Descriptor: | DI(HYDROXYETHYL)ETHER, Protease-sensitive outer capsid protein | Authors: | Xu, S, Liu, Y, Lakamp, L, Ahmed, L, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-01-01 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens. Plos Pathog., 16, 2020
|
|
6OAI
| Crystal structure of P[6] rotavirus vp8* complexed with LNFPI | Descriptor: | Protease-sensitive outer capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Xu, S, Liu, Y, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-03-16 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens. Plos Pathog., 16, 2020
|
|
4RDL
| Crystal structure of Norovirus Boxer P domain in complex with Lewis y tetrasaccharide | Descriptor: | Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose | Authors: | Hao, N, Chen, Y, Xia, M, Liu, W, Tan, M, Jiang, X, Li, X. | Deposit date: | 2014-09-19 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Crystal structures of GI.8 Boxer virus P dimers in complex with HBGAs, a novel evolutionary path selected by the Lewis epitope. Protein Cell, 6, 2015
|
|
4RDK
| Crystal structure of Norovirus Boxer P domain in complex with Lewis b tetrasaccharide | Descriptor: | Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose | Authors: | Hao, N, Chen, Y, Xia, M, Liu, W, Tan, M, Jiang, X, Li, X. | Deposit date: | 2014-09-19 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.629 Å) | Cite: | Crystal structures of GI.8 Boxer virus P dimers in complex with HBGAs, a novel evolutionary path selected by the Lewis epitope. Protein Cell, 6, 2015
|
|