6JKV
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![BU of 6jkv by Molmil](/molmil-images/mine/6jkv) | PppA, a key regulatory component of T6SS in Pseudomonas aeruginosa | Descriptor: | MANGANESE (II) ION, PppA | Authors: | Wang, T, Liu, L, Wu, Y, Li, D. | Deposit date: | 2019-03-02 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems. Biochem.Biophys.Res.Commun., 516, 2019
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3ULI
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![BU of 3uli by Molmil](/molmil-images/mine/3uli) | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | Descriptor: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | Authors: | Larsen, N.A, Tucker, J.A, Wang, T. | Deposit date: | 2011-11-10 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases. Bioorg.Med.Chem.Lett., 22, 2012
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2MUZ
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![BU of 2muz by Molmil](/molmil-images/mine/2muz) | ssNMR structure of a designed rocker protein | Descriptor: | designed rocker protein | Authors: | Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2015-01-14 | Method: | SOLUTION NMR | Cite: | De novo design of a transmembrane Zn2+-transporting four-helix bundle. Science, 346, 2014
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7EMG
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![BU of 7emg by Molmil](/molmil-images/mine/7emg) | Carbonyl Reductase Variant 4 (R123C/L209P/F183Y/V61K) from Serratia marcescens complexed with NADP+ | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, Y.C, Wang, T, Bai, Y.P. | Deposit date: | 2021-04-14 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Stereoselective synthesis of chiral delta-lactones via an engineered carbonyl reductase. Chem.Commun.(Camb.), 57, 2021
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7W5G
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![BU of 7w5g by Molmil](/molmil-images/mine/7w5g) | The apo structure of trichobrasilenol synthase TaTC6 with the space group of orthorhombic | Descriptor: | GLYCEROL, SULFATE ION, Terpene cyclase 6 | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5F
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![BU of 7w5f by Molmil](/molmil-images/mine/7w5f) | The apo structure of trichobrasilenol synthase TaTC6 with the space group of monoclinic | Descriptor: | MAGNESIUM ION, Terpene cyclase 6 | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5I
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![BU of 7w5i by Molmil](/molmil-images/mine/7w5i) | The structure of trichobrasilenol synthase TaTC6 in complex with FPP-1 | Descriptor: | FARNESYL DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5J
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![BU of 7w5j by Molmil](/molmil-images/mine/7w5j) | The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2 | Descriptor: | FARNESYL, FARNESYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5H
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![BU of 7w5h by Molmil](/molmil-images/mine/7w5h) | The structure of trichobrasilenol synthase TaTC6 in complex with FsPP | Descriptor: | GLYCEROL, MAGNESIUM ION, MALONATE ION, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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5JNX
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![BU of 5jnx by Molmil](/molmil-images/mine/5jnx) | The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ... | Authors: | Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N. | Deposit date: | 2016-05-01 | Release date: | 2016-06-15 | Last modified: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (6.56 Å) | Cite: | Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection Cell, 165, 2016
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3PL9
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![BU of 3pl9 by Molmil](/molmil-images/mine/3pl9) | Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R. | Deposit date: | 2010-11-14 | Release date: | 2011-02-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into energy regulation of light-harvesting complex CP29 from spinach. Nat.Struct.Mol.Biol., 18, 2011
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1QOK
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![BU of 1qok by Molmil](/molmil-images/mine/1qok) | MFE-23 AN ANTI-CARCINOEMBRYONIC ANTIGEN SINGLE-CHAIN FV ANTIBODY | Descriptor: | MFE-23 RECOMBINANT ANTIBODY FRAGMENT | Authors: | Boehm, M.K, Corper, A.L, Wan, T, Sohi, M.K, Sutton, B.J, Thornton, J.D, Keep, P.A, Chester, K.A, Begent, R.H.J, Perkins, S.J. | Deposit date: | 1999-11-11 | Release date: | 2000-11-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Anti-Carcinoembryonic Antigen Single-Chain Fv Antibody Mfe-23 and a Model for Antigen Binding Based on Intermolecular Contacts Biochem.J., 346, 2000
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2VQI
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![BU of 2vqi by Molmil](/molmil-images/mine/2vqi) | Structure of the P pilus usher (PapC) translocation pore | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OUTER MEMBRANE USHER PROTEIN PAPC | Authors: | Remaut, H, Tang, C, Henderson, N.S, Pinkner, J.S, Wang, T, Hultgren, S.J, Thanassi, D.G, Li, H, Waksman, G. | Deposit date: | 2008-03-16 | Release date: | 2008-05-27 | Last modified: | 2019-01-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Fiber formation across the bacterial outer membrane by the chaperone/usher pathway. Cell, 133, 2008
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8WRZ
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![BU of 8wrz by Molmil](/molmil-images/mine/8wrz) | Cry-EM structure of cannabinoid receptor-arrestin 2 complex | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ... | Authors: | Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J. | Deposit date: | 2023-10-16 | Release date: | 2024-02-28 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex. Protein Cell, 15, 2024
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1T91
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![BU of 1t91 by Molmil](/molmil-images/mine/1t91) | crystal structure of human small GTPase Rab7(GTP) | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7 | Authors: | Song, H, Hong, W, Wu, M, Wang, T. | Deposit date: | 2004-05-14 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for recruitment of RILP by small GTPase Rab7. Embo J., 24, 2005
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4IFB
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![BU of 4ifb by Molmil](/molmil-images/mine/4ifb) | Crystal structure of SULT 2A1 LLGG mutant with PAPS | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, Bile salt sulfotransferase, PHOSPHATE ION, ... | Authors: | Kim, J, Toro, R, Bhosle, R, Cook, I, Wang, T, Falany, C.N, Leyh, T.S, Almo, S.C. | Deposit date: | 2012-12-14 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sulfotransferase Selectivity at the Molecular level To be Published
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4IJF
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![BU of 4ijf by Molmil](/molmil-images/mine/4ijf) | Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain K222A/R225A/K248A/K251A mutant | Descriptor: | Polymerase cofactor VP35 | Authors: | Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K. | Deposit date: | 2012-12-21 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | Development of RNA Aptamers Targeting Ebola Virus VP35. Biochemistry, 52, 2013
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4IJE
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![BU of 4ije by Molmil](/molmil-images/mine/4ije) | Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain R312A/K319A/R322A mutant | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Polymerase cofactor VP35, ... | Authors: | Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K. | Deposit date: | 2012-12-21 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Development of RNA Aptamers Targeting Ebola Virus VP35. Biochemistry, 52, 2013
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7TDO
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![BU of 7tdo by Molmil](/molmil-images/mine/7tdo) | Cryo-EM structure of transmembrane AAA+ protease FtsH in the ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH | Authors: | Liu, W, Schoonen, M, Wang, T, McSweeney, S, Liu, Q. | Deposit date: | 2022-01-02 | Release date: | 2022-04-06 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Cryo-EM structure of transmembrane AAA+ protease FtsH in the ADP state. Commun Biol, 5, 2022
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8X91
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![BU of 8x91 by Molmil](/molmil-images/mine/8x91) | P/Q type calcium channel in complex with omega-conotoxin MVIIC | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T. | Deposit date: | 2023-11-29 | Release date: | 2024-03-20 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels. Cell Res., 34, 2024
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8X90
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![BU of 8x90 by Molmil](/molmil-images/mine/8x90) | P/Q type calcium channel | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T. | Deposit date: | 2023-11-29 | Release date: | 2024-03-20 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels. Cell Res., 34, 2024
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8X93
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![BU of 8x93 by Molmil](/molmil-images/mine/8x93) | P/Q type calcium channel in complex with omega-Agatoxin IVA | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T. | Deposit date: | 2023-11-29 | Release date: | 2024-03-20 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels. Cell Res., 34, 2024
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7VBU
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![BU of 7vbu by Molmil](/molmil-images/mine/7vbu) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 | Descriptor: | 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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7VBX
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![BU of 7vbx by Molmil](/molmil-images/mine/7vbx) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 | Descriptor: | (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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7VBV
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![BU of 7vbv by Molmil](/molmil-images/mine/7vbv) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 | Descriptor: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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