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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7JHZ
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![BU of 7jhz by Molmil](/molmil-images/mine/7jhz) | Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851 in complex with LNDFH I | Descriptor: | GLYCEROL, 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, ... | Authors: | Xu, S, Stuckert, M.R, McGinnis, K.R, Jiang, X, Kennedy, M.A. | Deposit date: | 2020-07-21 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.68 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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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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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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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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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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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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6JKF
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![BU of 6jkf by Molmil](/molmil-images/mine/6jkf) | Crystal structure of Serratia marcescens Chitinase B complexed 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, Chitinase | Authors: | Yang, Q, Jiang, X. | Deposit date: | 2019-02-28 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 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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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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5WBJ
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![BU of 5wbj by Molmil](/molmil-images/mine/5wbj) | |
5WBL
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![BU of 5wbl by Molmil](/molmil-images/mine/5wbl) | |
5WBK
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![BU of 5wbk by Molmil](/molmil-images/mine/5wbk) | |
5XJB
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![BU of 5xjb by Molmil](/molmil-images/mine/5xjb) | The Crystal Structure of the Minimal Core Domain of the Microtubule Depolymerizer KIF2C Complexed with ADP-Mg-BeFx | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Kinesin-like protein KIF2C, ... | Authors: | Ogawa, T, Jiang, X, Hirokawa, N. | Deposit date: | 2017-04-30 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mechanism of Catalytic Microtubule Depolymerization via KIF2-Tubulin Transitional Conformation Cell Rep, 20, 2017
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5XJA
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![BU of 5xja by Molmil](/molmil-images/mine/5xja) | The Crystal Structure of the Minimal Core Domain of the Microtubule Depolymerizer KIF2C Complexed with ADP-Mg-AlFx | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Kinesin-like protein KIF2C, ... | Authors: | Ogawa, T, Jiang, X, Hirokawa, N. | Deposit date: | 2017-04-30 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Mechanism of Catalytic Microtubule Depolymerization via KIF2-Tubulin Transitional Conformation Cell Rep, 20, 2017
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7CRZ
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![BU of 7crz by Molmil](/molmil-images/mine/7crz) | Crystal structure of human glucose transporter GLUT3 bound with C3361 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ... | Authors: | Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N. | Deposit date: | 2020-08-14 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents. Proc.Natl.Acad.Sci.USA, 118, 2021
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5WBI
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7CKR
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![BU of 7ckr by Molmil](/molmil-images/mine/7ckr) | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate BAY-8002 in the outward-open conformation. | Descriptor: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-07-18 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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7CKO
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![BU of 7cko by Molmil](/molmil-images/mine/7cko) | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate 7ACC2 in the inward-open conformation | Descriptor: | 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-07-18 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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7DA5
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![BU of 7da5 by Molmil](/molmil-images/mine/7da5) | Cryo-EM structure of the human MCT1 D309N mutant in complex with Basigin-2 in the inward-open conformation. | Descriptor: | Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-10-14 | 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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7EOB
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![BU of 7eob by Molmil](/molmil-images/mine/7eob) | Crystal structure of KIF1A Motor-Neck domain E239K mutant with ADP-Mg-AlFx | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Kinesin-like protein KIF1A, ... | Authors: | Ogawa, T, Jiang, X, Hirokawa, N. | Deposit date: | 2021-04-21 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A neuropathy-associated kinesin KIF1A mutation hyper-stabilizes the motor-neck interaction during the ATPase cycle. Embo J., 41, 2022
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7EO9
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![BU of 7eo9 by Molmil](/molmil-images/mine/7eo9) | Crystal structure of KIF1A Motor-Neck domain with ADP-Mg-AlFx | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Kinesin-like protein KIF1A, ... | Authors: | Ogawa, T, Jiang, X, Hirokawa, N. | Deposit date: | 2021-04-21 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | A neuropathy-associated kinesin KIF1A mutation hyper-stabilizes the motor-neck interaction during the ATPase cycle. Embo J., 41, 2022
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