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
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6JVB
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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
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7CLA
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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
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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
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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
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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
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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
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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
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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
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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
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6C9W
 | | Crystal Structure of a ligand bound LacY/Nanobody Complex | | Descriptor: | 4-nitrophenyl alpha-D-galactopyranoside, Lactose permease, Nanobody9047, ... | | Authors: | Kumar, H, Finer-Moore, J.S, Jiang, X, Smirnova, I, Kasho, V, Pardon, E, Steyaert, J, Kaback, H.R, Stroud, R.M. | | Deposit date: | 2018-01-29 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of a ligand-bound LacY-Nanobody Complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4X5R
 | | Crystal structure of FimH in complex with a squaryl-phenyl alpha-D-mannopyranoside derivative | | Descriptor: | 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside, Protein FimH, SULFATE ION | | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
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4X5P
 | | Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside | | Descriptor: | 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid, Protein FimH | | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.997 Å) | | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
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4X5Q
 | | Crystal structure of FimH in complex with 5-nitro-indolinylphenyl alpha-D-mannopyranoside | | Descriptor: | 4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside, Protein FimH | | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
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4X50
 | | Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside | | Descriptor: | Protein FimH, biphenyl-4-yl alpha-D-mannopyranoside | | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | | Deposit date: | 2014-12-04 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
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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
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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
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3PUM
 | | Crystal structure of P domain dimer of Norovirus VA207 | | Descriptor: | Capsid | | Authors: | Chen, Y, Tan, M, Xia, M, Hao, N, Zhang, X.C, Huang, P, Jiang, X, Li, X, Rao, Z. | | Deposit date: | 2010-12-06 | | Release date: | 2011-08-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Crystallography of a Lewis-binding norovirus, elucidation of strain-specificity to the polymorphic human histo-blood group antigens
Plos Pathog., 7, 2011
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4RM0
 | | Crystal structure of Norovirus OIF P domain in complex with Lewis a trisaccharide | | Descriptor: | Capsid protein, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Liu, W, Chen, Y, Tan, M, Xia, M, Li, X, Jiang, X, Rao, Z. | | Deposit date: | 2014-10-18 | | Release date: | 2015-06-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | A Unique Human Norovirus Lineage with a Distinct HBGA Binding Interface.
Plos Pathog., 11, 2015
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3PVD
 | | Crystal structure of P domain dimer of Norovirus VA207 complexed with 3'-sialyl-Lewis x tetrasaccharide | | Descriptor: | Capsid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Chen, Y, Tan, M, Xia, M, Hao, N, Zhang, X.C, Huang, P, Jiang, X, Li, X, Rao, Z. | | Deposit date: | 2010-12-06 | | Release date: | 2011-08-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallography of a Lewis-binding norovirus, elucidation of strain-specificity to the polymorphic human histo-blood group antigens
Plos Pathog., 7, 2011
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3PUN
 | | Crystal structure of P domain dimer of Norovirus VA207 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: | Chen, Y, Tan, M, Xia, M, Hao, N, Zhang, X.C, Huang, P, Jiang, X, Li, X, Rao, Z. | | Deposit date: | 2010-12-06 | | Release date: | 2011-08-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallography of a Lewis-binding norovirus, elucidation of strain-specificity to the polymorphic human histo-blood group antigens
Plos Pathog., 7, 2011
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4RLZ
 | | Crystal structure of Norovirus OIF P domain | | Descriptor: | Capsid protein, GLYCEROL | | Authors: | Liu, W, Chen, Y, Tan, M, Xia, M, Li, X, Jiang, X, Rao, Z. | | Deposit date: | 2014-10-18 | | Release date: | 2015-06-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | A Unique Human Norovirus Lineage with a Distinct HBGA Binding Interface.
Plos Pathog., 11, 2015
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3QA8
 | | Crystal Structure of inhibitor of kappa B kinase beta | | Descriptor: | MGC80376 protein | | Authors: | Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H. | | Deposit date: | 2011-01-10 | | Release date: | 2011-04-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal structure of inhibitor of kappa B kinase beta.
Nature, 472, 2011
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