7D9Q
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![BU of 7d9q by Molmil](/molmil-images/mine/7d9q) | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 | Descriptor: | (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Liu, Q.F, Yin, W.C. | Deposit date: | 2020-10-14 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64, 2021
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7WE6
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![BU of 7we6 by Molmil](/molmil-images/mine/7we6) | Structure of Csy-AcrIF24-dsDNA | Descriptor: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ... | Authors: | Zhang, L, Feng, Y. | Deposit date: | 2021-12-22 | Release date: | 2022-04-20 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24. Nat Commun, 13, 2022
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7Y86
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![BU of 7y86 by Molmil](/molmil-images/mine/7y86) | CcpS mutant | Descriptor: | UPF0297 protein A7J08_00425 | Authors: | Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J. | Deposit date: | 2022-06-22 | Release date: | 2023-05-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis. Nat Commun, 14, 2023
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7Y8Z
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![BU of 7y8z by Molmil](/molmil-images/mine/7y8z) | CcpS | Descriptor: | UPF0297 protein A7J08_00425 | Authors: | Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J. | Deposit date: | 2022-06-24 | Release date: | 2023-05-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis. Nat Commun, 14, 2023
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6IGZ
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![BU of 6igz by Molmil](/molmil-images/mine/6igz) | Structure of PSI-LHCI | Descriptor: | (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, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Xiong, P, Xiaochun, Q. | Deposit date: | 2018-09-27 | Release date: | 2019-02-13 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structure of a green algal photosystem I in complex with a large number of light-harvesting complex I subunits. Nat Plants, 5, 2019
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6IUR
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![BU of 6iur by Molmil](/molmil-images/mine/6iur) | A phosphatase complex STRN3-PP2Aa | Descriptor: | PP2A scaffolding subunit, PROPANE, Striatin-3 | Authors: | Tang, Y, Zhou, Z.C. | Deposit date: | 2018-11-30 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Selective Inhibition of STRN3-Containing PP2A Phosphatase Restores Hippo Tumor-Suppressor Activity in Gastric Cancer. Cancer Cell, 38, 2020
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6JOP
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![BU of 6jop by Molmil](/molmil-images/mine/6jop) | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | Descriptor: | MAGNESIUM ION, Primase, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | Deposit date: | 2019-03-22 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.353 Å) | Cite: | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
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6JOQ
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![BU of 6joq by Molmil](/molmil-images/mine/6joq) | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primase | Authors: | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | Deposit date: | 2019-03-22 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
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6JON
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![BU of 6jon by Molmil](/molmil-images/mine/6jon) | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Primase | Authors: | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | Deposit date: | 2019-03-22 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
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5XV7
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![BU of 5xv7 by Molmil](/molmil-images/mine/5xv7) | SRPK1 in complex with Alectinib | Descriptor: | 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1 | Authors: | Zeng, C, Ngo, J.C.K. | Deposit date: | 2017-06-26 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform Cell Chem Biol, 25, 2018
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3HXA
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![BU of 3hxa by Molmil](/molmil-images/mine/3hxa) | |
5YIG
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![BU of 5yig by Molmil](/molmil-images/mine/5yig) | Crystal structure of Streptococcus pneumonia ParE with inhibitor | Descriptor: | 1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea, DNA topoisomerase 4 subunit B | Authors: | Cherian, J, Tan, Y, Hill, J. | Deposit date: | 2017-10-04 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria. Eur J Med Chem, 157, 2018
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5YFG
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![BU of 5yfg by Molmil](/molmil-images/mine/5yfg) | SOLUTION STRUCTURE OF HUMAN MOG1 | Descriptor: | Ran guanine nucleotide release factor | Authors: | Hu, Q, Liu, Y, Bao, X, Liu, H. | Deposit date: | 2017-09-21 | Release date: | 2017-11-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation J Mol Cell Biol, 10, 2018
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7XW9
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![BU of 7xw9 by Molmil](/molmil-images/mine/7xw9) | Cryo-EM structure of the TRH-bound human TRHR-Gq 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(q) subunit alpha, ... | Authors: | Ji, S, Dong, Y, Chen, L, Zang, S, Shen, D, Guo, J, Qin, J, Zhang, H, Wang, W, Shen, Q, Mao, C, Zhang, Y. | Deposit date: | 2022-05-26 | Release date: | 2022-12-28 | Last modified: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis for the activation of thyrotropin-releasing hormone receptor. Cell Discov, 8, 2022
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7XQP
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![BU of 7xqp by Molmil](/molmil-images/mine/7xqp) | PSI-LHCI-LHCII-Lhcb9 supercomplex of Physcomitrella patens | 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: | Zhang, S, Tang, K.L, Li, X.Y, Wang, W.D, Yan, Q.J, Shen, L.L, Kuang, T.Y, Han, G.Y, Shen, J.R, Zhang, X. | Deposit date: | 2022-05-08 | Release date: | 2023-04-26 | Last modified: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural insights into a unique PSI-LHCI-LHCII-Lhcb9 supercomplex from moss Physcomitrium patens. Nat.Plants, 9, 2023
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8IKJ
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![BU of 8ikj by Molmil](/molmil-images/mine/8ikj) | Cryo-EM structure of the inactive CD97 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor E5,Soluble cytochrome b562,Adhesion G protein-coupled receptor E5 subunit beta | Authors: | Mao, C, Zhao, R, Dong, Y, Gao, M, Chen, L, Zhang, C, Xiao, P, Guo, J, Qin, J, Shen, D, Ji, S, Zang, S, Zhang, H, Wang, W, Shen, Q, Sun, P, Zhang, Y. | Deposit date: | 2023-02-28 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Conformational transitions and activation of the adhesion receptor CD97. Mol.Cell, 84, 2024
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5DEW
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![BU of 5dew by Molmil](/molmil-images/mine/5dew) | Crystal structure of PAK1 in complex with an inhibitor compound 5 | Descriptor: | 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Oh, A, Tam, C, Wang, W. | Deposit date: | 2015-08-26 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Proper-ties by Employing an Unorthodox Low-pKa Polar Moiety To Be Published
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6ZRU
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![BU of 6zru by Molmil](/molmil-images/mine/6zru) | Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir | Descriptor: | DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form) | Authors: | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | Deposit date: | 2020-07-14 | Release date: | 2020-08-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics. Rsc Med Chem, 12, 2020
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8H9F
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![BU of 8h9f by Molmil](/molmil-images/mine/8h9f) | Human ATP synthase state 1 subregion 3 | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ATP synthase F(0) complex subunit B1, mitochondrial, ... | Authors: | Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2022-10-25 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structure of the human ATP synthase. Mol.Cell, 83, 2023
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7DNU
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![BU of 7dnu by Molmil](/molmil-images/mine/7dnu) | mRNA-decapping enzyme g5Rp with inhibitor insp6 complex | Descriptor: | INOSITOL HEXAKISPHOSPHATE, mRNA-decapping protein g5R | Authors: | Yang, Y, Chen, C, Li, L, Li, X.H, Su, D. | Deposit date: | 2020-12-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp. J.Virol., 96, 2022
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7DTC
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![BU of 7dtc by Molmil](/molmil-images/mine/7dtc) | voltage-gated sodium channel Nav1.5-E1784K | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 5 subunit alpha | Authors: | Yan, N, Pan, X, Li, Z. | Deposit date: | 2021-01-04 | Release date: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of human Na v 1.5 reveals the fast inactivation-related segments as a mutational hotspot for the long QT syndrome. Proc.Natl.Acad.Sci.USA, 118, 2021
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7DWQ
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![BU of 7dwq by Molmil](/molmil-images/mine/7dwq) | Photosystem I from a chlorophyll d-containing cyanobacterium Acaryochloris marina | Descriptor: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Chen, J.H, Zhang, X, Shen, J.R. | Deposit date: | 2021-01-17 | Release date: | 2021-06-02 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A unique photosystem I reaction center from a chlorophyll d-containing cyanobacterium Acaryochloris marina. J Integr Plant Biol, 63, 2021
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7DXH
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![BU of 7dxh by Molmil](/molmil-images/mine/7dxh) | Cryo-EM structure of PSII intermediate Psb28-PSII complex | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ... | Authors: | Sui, S.F, Shen, J.R, Han, G.Y, Xiao, Y.N, Huang, G.Q. | Deposit date: | 2021-01-18 | Release date: | 2021-06-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural insights into cyanobacterial photosystem II intermediates associated with Psb28 and Tsl0063. Nat.Plants, 7, 2021
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7DXA
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![BU of 7dxa by Molmil](/molmil-images/mine/7dxa) | PSII intermediate Psb28-RC47 | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ... | Authors: | Sui, S.F, Shen, J.R, Han, G.Y, Xiao, Y.N, Huang, G.Q. | Deposit date: | 2021-01-18 | Release date: | 2021-06-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural insights into cyanobacterial photosystem II intermediates associated with Psb28 and Tsl0063. Nat.Plants, 7, 2021
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8JAT
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![BU of 8jat by Molmil](/molmil-images/mine/8jat) | |