7SPS
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![BU of 7sps by Molmil](/molmil-images/mine/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
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5DAD
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![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
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5K0X
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![BU of 5k0x by Molmil](/molmil-images/mine/5k0x) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541 | Descriptor: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X. | Deposit date: | 2016-05-17 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors. ChemMedChem, 12, 2017
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4RDJ
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![BU of 4rdj by Molmil](/molmil-images/mine/4rdj) | Crystal structure of Norovirus Boxer P domain | Descriptor: | Capsid | 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 (1.5 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
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![BU of 4rdk by Molmil](/molmil-images/mine/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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4RDL
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![BU of 4rdl by Molmil](/molmil-images/mine/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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4ESR
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![BU of 4esr by Molmil](/molmil-images/mine/4esr) | Molecular and Structural Characterization of the SH3 Domain of AHI-1 in Regulation of Cellular Resistance of BCR-ABL+ Chronic Myeloid Leukemia Cells to Tyrosine Kinase Inhibitors | Descriptor: | DI(HYDROXYETHYL)ETHER, Jouberin | Authors: | Van Petegem, X.F, Liu, P.X, Lobo, P, Jiang, X. | Deposit date: | 2012-04-23 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Molecular and structural characterization of the SH3 domain of AHI-1 in regulation of cellular resistance of BCR-ABL(+) chronic myeloid leukemia cells to tyrosine kinase inhibitors. Proteomics, 12, 2012
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3PVD
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![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
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3PUN
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![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
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3RZF
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![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
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3QA8
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![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
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4RM0
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![BU of 4rm0 by Molmil](/molmil-images/mine/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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4RLZ
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![BU of 4rlz by Molmil](/molmil-images/mine/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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4ZCH
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![BU of 4zch by Molmil](/molmil-images/mine/4zch) | Single-chain human APRIL-BAFF-BAFF Heterotrimer | Descriptor: | TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, Tumor necrosis factor ligand superfamily member 13,Tumor necrosis factor ligand superfamily member 13B,Tumor necrosis factor ligand superfamily member 13B | Authors: | Lammens, A, Jiang, X, Maskos, K, Schneider, P. | Deposit date: | 2015-04-16 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties. J.Biol.Chem., 290, 2015
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5DAF
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![BU of 5daf by Molmil](/molmil-images/mine/5daf) | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063 | Descriptor: | (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-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: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding. Biochim.Biophys.Acta, 1860, 2016
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6LYY
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![BU of 6lyy by Molmil](/molmil-images/mine/6lyy) | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate AZD3965 in the outward-open conformation. | Descriptor: | 3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-02-16 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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6NIW
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![BU of 6niw by Molmil](/molmil-images/mine/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
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6C9W
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![BU of 6c9w by Molmil](/molmil-images/mine/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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6LZ0
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![BU of 6lz0 by Molmil](/molmil-images/mine/6lz0) | Cryo-EM structure of human MCT1 in complex with Basigin-2 in the presence of lactate | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-02-16 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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7E27
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![BU of 7e27 by Molmil](/molmil-images/mine/7e27) | Structure of PfFNT in complex with MMV007839 | Descriptor: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter | Authors: | Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J. | Deposit date: | 2021-02-04 | Release date: | 2021-08-18 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.29 Å) | Cite: | Structural characterization of the Plasmodium falciparum lactate transporter PfFNT alone and in complex with antimalarial compound MMV007839 reveals its inhibition mechanism. Plos Biol., 19, 2021
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7E26
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![BU of 7e26 by Molmil](/molmil-images/mine/7e26) | Structure of PfFNT in apo state | Descriptor: | Formate-nitrite transporter | Authors: | Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J. | Deposit date: | 2021-02-04 | Release date: | 2021-08-18 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.29 Å) | Cite: | Structural characterization of the Plasmodium falciparum lactate transporter PfFNT alone and in complex with antimalarial compound MMV007839 reveals its inhibition mechanism. Plos Biol., 19, 2021
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5WZZ
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![BU of 5wzz by Molmil](/molmil-images/mine/5wzz) | The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation | Descriptor: | Axin-1, E3 ubiquitin-protein ligase SIAH1, ZINC ION | Authors: | Ji, L, Jiang, B, Jiang, X, Charlat, O, Chen, A, Mickanin, C, Bauer, A, Xu, W, Yan, X.-X, Cong, F. | Deposit date: | 2017-01-19 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation Genes Dev., 31, 2017
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7KHU
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![BU of 7khu by Molmil](/molmil-images/mine/7khu) | Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 in complex with LNDFH I | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A. | Deposit date: | 2020-10-22 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.54 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
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5WBL
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![BU of 5wbl by Molmil](/molmil-images/mine/5wbl) | |
5WBJ
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![BU of 5wbj by Molmil](/molmil-images/mine/5wbj) | |