7EW9
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![BU of 7ew9 by Molmil](/molmil-images/mine/7ew9) | GDP-bound KRAS G12D in complex with TH-Z816 | Descriptor: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2021-05-25 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7EWA
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![BU of 7ewa by Molmil](/molmil-images/mine/7ewa) | GDP-bound KRAS G12D in complex with TH-Z827 | Descriptor: | 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2021-05-25 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7EWB
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![BU of 7ewb by Molmil](/molmil-images/mine/7ewb) | GDP-bound KRAS G12D in complex with TH-Z835 | Descriptor: | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2021-05-25 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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3WQM
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![BU of 3wqm by Molmil](/molmil-images/mine/3wqm) | Crystal structure of Rv3378c with inhibitor BPH-629 | Descriptor: | Diterpene synthase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-01-28 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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3WQN
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![BU of 3wqn by Molmil](/molmil-images/mine/3wqn) | Crystal structure of Rv3378c_Y51F with TPP | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-01-28 | Release date: | 2014-02-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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7C8U
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![BU of 7c8u by Molmil](/molmil-images/mine/7c8u) | The crystal structure of COVID-19 main protease in complex with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The crystal structure of COVID-19 main protease in complex with GC376 To Be Published
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7Y9M
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![BU of 7y9m by Molmil](/molmil-images/mine/7y9m) | Crystal structure of P450 BM3-2F from Bacillus megaterium | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of P450 BM3-2F from Bacillus megaterium to be published
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7Y9L
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![BU of 7y9l by Molmil](/molmil-images/mine/7y9l) | Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile | Descriptor: | 5-nitro-2-oxidanyl-benzenecarbonitrile, Bifunctional cytochrome P450/NADPH--P450 reductase, NICKEL (II) ION, ... | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile to be published
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8H7P
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![BU of 8h7p by Molmil](/molmil-images/mine/8h7p) | Crystal structure of aqualigase bound with Suc-AAPF | Descriptor: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, CALCIUM ION, Subtilisin, ... | Authors: | Li, H, Ma, M.Z, Zhang, L.J, Dai, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-10-20 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of aqualigase bound with Suc-AAPF To Be Published
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8H7O
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![BU of 8h7o by Molmil](/molmil-images/mine/8h7o) | Crystal structure of aqualigase | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, Subtilisin | Authors: | Li, H, Ma, M.Z, Zhang, L.J, Dai, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-10-20 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of aqualigase To Be Published
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7EVP
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![BU of 7evp by Molmil](/molmil-images/mine/7evp) | Cryo-EM structure of the Gp168-beta-clamp complex | Descriptor: | Beta sliding clamp, Sliding clamp inhibitor | Authors: | Liu, B, Li, S, Liu, Y, Chen, H, Hu, Z, Wang, Z, Gou, L, Zhang, L, Ma, B, Wang, H, Matthews, S, Wang, Y, Zhang, K. | Deposit date: | 2021-05-21 | Release date: | 2022-02-16 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Bacteriophage Twort protein Gp168 is a beta-clamp inhibitor by occupying the DNA sliding channel. Nucleic Acids Res., 49, 2021
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7Y9J
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![BU of 7y9j by Molmil](/molmil-images/mine/7y9j) | Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole | Descriptor: | 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism Chinese J Catal, 47, 2023
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7Y9K
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![BU of 7y9k by Molmil](/molmil-images/mine/7y9k) | Crystal structure of P450 BM3-TMK from Bacillus megaterium | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism Chinese J Catal, 47, 2023
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8FML
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![BU of 8fml by Molmil](/molmil-images/mine/8fml) | |
7VS3
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![BU of 7vs3 by Molmil](/molmil-images/mine/7vs3) | The crystal structure of rat calcium-dependent activator protein for secretion (CAPS) C2PH | Descriptor: | Calcium-dependent secretion activator 1, SULFATE ION | Authors: | Zhou, H, Wei, Z.Q, Zhang, L, Ren, Y.J, Ma, C. | Deposit date: | 2021-10-25 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | The C 2 and PH domains of CAPS constitute an effective PI(4,5)P2-binding unit essential for Ca 2+ -regulated exocytosis. Structure, 31, 2023
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7EXS
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![BU of 7exs by Molmil](/molmil-images/mine/7exs) | Thermomicrobium roseum sarcosine oxidase mutant - S320R | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Xin, Y, Shen, C, Tang, M.W, Shi, Y, Guo, Z.T, Gu, Z.H, Shao, J, Zhang, L. | Deposit date: | 2021-05-28 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Recreating the natural evolutionary trend in key microdomains provides an effective strategy for engineering of a thermomicrobial N-demethylase. J.Biol.Chem., 298, 2022
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7FIR
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![BU of 7fir by Molmil](/molmil-images/mine/7fir) | The crystal structure of beta-1,2-mannobiose phosphorylase in complex with 1,4-mannobiose | Descriptor: | Beta-1,2-mannobiose phosphorylase, PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | Deposit date: | 2021-08-01 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514. Biochem.Biophys.Res.Commun., 579, 2021
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7CE1
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![BU of 7ce1 by Molmil](/molmil-images/mine/7ce1) | Complex STRUCTURE OF TRANSCRIPTION FACTOR SghR with its COGNATE DNA | Descriptor: | LacI-type transcription factor, promoter DNA | Authors: | Ye, F.Z, Wang, C, Yan, X.F, Zhang, L.H, Gao, Y.G. | Deposit date: | 2020-06-21 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of a novel repressor, SghR, controllingAgrobacteriuminfection by cross-talking to plants. J.Biol.Chem., 295, 2020
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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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7EJB
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![BU of 7ejb by Molmil](/molmil-images/mine/7ejb) | |
7C9V
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![BU of 7c9v by Molmil](/molmil-images/mine/7c9v) | E30 F-particle in complex with FcRn | Descriptor: | Beta-2-microglobulin, IgG receptor FcRn large subunit p51, MYRISTIC ACID, ... | Authors: | Wang, K, Zhu, L, Sun, Y, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | Deposit date: | 2020-06-07 | Release date: | 2020-07-29 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage. Nat Commun, 11, 2020
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7C9S
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![BU of 7c9s by Molmil](/molmil-images/mine/7c9s) | Echovirus 30 F-particle | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Wang, K, Sun, Y, Zhu, L, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | Deposit date: | 2020-06-07 | Release date: | 2020-07-29 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage. Nat Commun, 11, 2020
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7C9U
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![BU of 7c9u by Molmil](/molmil-images/mine/7c9u) | Echovirus 30 E-particle | Descriptor: | VP0, VP1, VP3 | Authors: | Wang, K, Zhu, L, Sun, Y, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | Deposit date: | 2020-06-07 | Release date: | 2020-07-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage. Nat Commun, 11, 2020
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7C9W
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![BU of 7c9w by Molmil](/molmil-images/mine/7c9w) | E30 F-particle in complex with CD55 | Descriptor: | Complement decay-accelerating factor, MYRISTIC ACID, SPHINGOSINE, ... | Authors: | Wang, K, Zhu, L, Sun, Y, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | Deposit date: | 2020-06-07 | Release date: | 2020-07-29 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage. Nat Commun, 11, 2020
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