6JK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jk9 by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jvb by Molmil](/molmil-images/mine/6jvb) | |
2GU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gu0 by Molmil](/molmil-images/mine/2gu0) | |
7CLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cla by Molmil](/molmil-images/mine/7cla) | |
7C92
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c92 by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cb1 by Molmil](/molmil-images/mine/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
|
|
8EFB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8efb by Molmil](/molmil-images/mine/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
|
|
8EFO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8efo by Molmil](/molmil-images/mine/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
|
|
8EFQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8efq by Molmil](/molmil-images/mine/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
|
|
8EF5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ef5 by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ef6 by Molmil](/molmil-images/mine/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
|
|
8EFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8efl by Molmil](/molmil-images/mine/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
|
|
5DAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dad by Molmil](/molmil-images/mine/5dad) | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64014 | Descriptor: | (6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile, Kelch-like ECH-associated protein 1 | Authors: | Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C. | Deposit date: | 2015-08-19 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding. Biochim.Biophys.Acta, 1860, 2016
|
|
6FXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fxn by Molmil](/molmil-images/mine/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
|
|
7C21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c21 by Molmil](/molmil-images/mine/7c21) | Crystal structure of Duvenhage virus phosphoprotein C-terminal domain | Descriptor: | Phosphoprotein | Authors: | Sugiyama, A, Jiang, X, Maenaka, K, Yao, M, Ose, T. | Deposit date: | 2020-05-06 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural comparison of the C-terminal domain of functionally divergent lyssavirus P proteins. Biochem.Biophys.Res.Commun., 529, 2020
|
|
3PUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pum by Molmil](/molmil-images/mine/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
|
|
3PVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pvd by Molmil](/molmil-images/mine/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
|
|
3QA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qa8 by Molmil](/molmil-images/mine/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
|
|
3PUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pun by Molmil](/molmil-images/mine/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
|
|
7NL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nl6 by Molmil](/molmil-images/mine/7nl6) | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | Descriptor: | CALCIUM ION, DC-SIGN, CRD domain, ... | Authors: | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | Deposit date: | 2021-02-22 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2. J.Am.Chem.Soc., 143, 2021
|
|
7NL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nl7 by Molmil](/molmil-images/mine/7nl7) | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | Descriptor: | 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ... | Authors: | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | Deposit date: | 2021-02-22 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2. J.Am.Chem.Soc., 143, 2021
|
|
3RZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rzf by Molmil](/molmil-images/mine/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
|
|
1Z1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z1d by Molmil](/molmil-images/mine/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
|
|
2LIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lit by Molmil](/molmil-images/mine/2lit) | NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in reduced states | Descriptor: | Cytochrome c iso-1, HEME C | Authors: | Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X. | Deposit date: | 2011-08-31 | Release date: | 2011-12-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States. Plos One, 6, 2011
|
|
2LIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lir by Molmil](/molmil-images/mine/2lir) | NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in oxidized states | Descriptor: | Cytochrome c iso-1, HEME C | Authors: | Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X. | Deposit date: | 2011-08-31 | Release date: | 2011-12-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States. Plos One, 6, 2011
|
|