7CRD
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![BU of 7crd by Molmil](/molmil-images/mine/7crd) | Structure of Pseudomonas aeruginosa OdaA | Descriptor: | Probable enoyl-CoA hydratase/isomerase | Authors: | Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R. | Deposit date: | 2020-08-13 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element. Biochim Biophys Acta Gen Subj, 1865, 2020
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4MRO
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![BU of 4mro by Molmil](/molmil-images/mine/4mro) | Human GKRP bound to AMG-5980 and S6P | Descriptor: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C. | Deposit date: | 2013-09-17 | Release date: | 2014-05-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles. J.Med.Chem., 57, 2014
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5WLM
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8IRZ
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![BU of 8irz by Molmil](/molmil-images/mine/8irz) | Carbon Sulfoxide lyase | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase | Authors: | Gong, W.M, Wei, L.L, Liu, L. | Deposit date: | 2023-03-20 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE. J.Biol.Chem., 300, 2024
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8IS0
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![BU of 8is0 by Molmil](/molmil-images/mine/8is0) | Carbon Sulfoxide lyase - Y106F | Descriptor: | 2-AMINO-ACRYLIC ACID, PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase | Authors: | Gong, W.M, Wei, L.L, Liu, L. | Deposit date: | 2023-03-20 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE. J.Biol.Chem., 300, 2024
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8IRK
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![BU of 8irk by Molmil](/molmil-images/mine/8irk) | Carbon Sulfoxide lyase | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID, Probable hercynylcysteine sulfoxide lyase | Authors: | Gong, W.M, Wei, L.L, Liu, L. | Deposit date: | 2023-03-18 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of Mycobacterial ergothioneine-biosynthesis C-S lyase EgtE To Be Published
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6B17
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![BU of 6b17 by Molmil](/molmil-images/mine/6b17) | Design of a short thermally stable alpha-helix embedded in a macrocycle | Descriptor: | 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide | Authors: | Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F. | Deposit date: | 2017-09-17 | Release date: | 2018-02-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle. Chembiochem, 19, 2018
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5XWY
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![BU of 5xwy by Molmil](/molmil-images/mine/5xwy) | Electron cryo-microscopy structure of LbuCas13a-crRNA binary complex | Descriptor: | A type VI-A CRISPR-Cas RNA-guided RNA ribonuclease, Cas13a, RNA (59-MER) | Authors: | Zhang, X, Wang, Y, Ma, J, Liu, L, Li, X, Li, Z, You, L, Wang, J, Wang, M. | Deposit date: | 2017-06-30 | Release date: | 2017-09-13 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The Molecular Architecture for RNA-Guided RNA Cleavage by Cas13a. Cell, 170, 2017
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5Z9Z
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![BU of 5z9z by Molmil](/molmil-images/mine/5z9z) | The C-terminal RRM domain of Arabidopsis SMALL RNA DEGRADING NUCLEASE 1 (E329A/E330A/E332A) | Descriptor: | CITRATE ANION, Small RNA degrading nuclease 1 | Authors: | Chen, J, Liu, L, You, C, Gu, J, Ruan, W, Zhang, L, Cao, C, Gan, J, Huang, Y, Chen, X, Ma, J. | Deposit date: | 2018-02-05 | Release date: | 2018-06-27 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (2.049 Å) | Cite: | Structural and biochemical insights into small RNA 3' end trimming by Arabidopsis SDN1. Nat Commun, 9, 2018
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4MQU
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![BU of 4mqu by Molmil](/molmil-images/mine/4mqu) | Human GKRP complexed to AMG-3969 and S6P | Descriptor: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L. | Deposit date: | 2013-09-16 | Release date: | 2014-05-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles. J.Med.Chem., 57, 2014
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5Z9X
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![BU of 5z9x by Molmil](/molmil-images/mine/5z9x) | Arabidopsis SMALL RNA DEGRADING NUCLEASE 1 in complex with an RNA substrate | Descriptor: | MAGNESIUM ION, RNA (5'-R(P*GP*CP*CP*CP*AP*UP*UP*AP*G)-3'), SULFATE ION, ... | Authors: | Chen, J, Liu, L, You, C, Gu, J, Ruan, W, Zhang, L, Gan, J, Cao, C, Huang, Y, Chen, X, Ma, J. | Deposit date: | 2018-02-05 | Release date: | 2018-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and biochemical insights into small RNA 3' end trimming by Arabidopsis SDN1. Nat Commun, 9, 2018
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6BTA
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![BU of 6bta by Molmil](/molmil-images/mine/6bta) | CypA Mutant - S99T C115S | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Fraser, J.S, Kenner, L.R, Liu, L. | Deposit date: | 2017-12-06 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rescue of conformational dynamics in enzyme catalysis by directed evolution. Nat Commun, 9, 2018
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7YQK
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![BU of 7yqk by Molmil](/molmil-images/mine/7yqk) | cryo-EM structure of gammaH2AXK15ub-H4K20me2 nucleosome bound to 53BP1 | Descriptor: | DNA (145-MER), Histone H2AX, Histone H2B, ... | Authors: | Ai, H.S, GuoChao, C, Qingyue, G, Ze-Bin, T, Zhiheng, D, Xin, L, Fan, Y, Ziyu, X, Jia-Bin, L, Changlin, T, Liu, L. | Deposit date: | 2022-08-07 | Release date: | 2022-08-17 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Chemical Synthesis of Post-Translationally Modified H2AX Reveals Redundancy in Interplay between Histone Phosphorylation, Ubiquitination, and Methylation on the Binding of 53BP1 with Nucleosomes. J.Am.Chem.Soc., 144, 2022
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5FFA
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5GND
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![BU of 5gnd by Molmil](/molmil-images/mine/5gnd) | Structure of Deg protease HhoA from Synechocystis sp. PCC 6803 | Descriptor: | Putative serine protease HhoA, SODIUM ION, UNK-UNK-UNK-UNK-TRP, ... | Authors: | Dong, W, Wang, J, Liu, L. | Deposit date: | 2016-07-20 | Release date: | 2016-09-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the zinc-bound HhoA protease from Synechocystis sp. PCC 6803 Febs Lett., 590, 2016
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4GHQ
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![BU of 4ghq by Molmil](/molmil-images/mine/4ghq) | Crystal structure of EV71 3C proteinase | Descriptor: | 3C proteinase | Authors: | Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T. | Deposit date: | 2012-08-08 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir Acta Crystallogr.,Sect.D, 69, 2013
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5GN1
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5H3E
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![BU of 5h3e by Molmil](/molmil-images/mine/5h3e) | Crystal structure of mouse isocitrate dehydrogenases 2 K256Q mutant complexed with isocitrate | Descriptor: | ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ... | Authors: | Xu, Y, Liu, L, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2016-10-23 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Studies on the regulatory mechanism of isocitrate dehydrogenase 2 using acetylation mimics Sci Rep, 7, 2017
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5H3F
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![BU of 5h3f by Molmil](/molmil-images/mine/5h3f) | Crystal structure of mouse isocitrate dehydrogenases 2 complexed with isocitrate | Descriptor: | ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ... | Authors: | Xu, Y, Liu, L, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2016-10-23 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Studies on the regulatory mechanism of isocitrate dehydrogenase 2 using acetylation mimics Sci Rep, 7, 2017
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4GHT
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![BU of 4ght by Molmil](/molmil-images/mine/4ght) | Crystal structure of EV71 3C proteinase in complex with AG7088 | Descriptor: | 3C proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T. | Deposit date: | 2012-08-08 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir Acta Crystallogr.,Sect.D, 69, 2013
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5FFD
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4GM9
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![BU of 4gm9 by Molmil](/molmil-images/mine/4gm9) | Crystal structure of human WD repeat domain 5 with compound MM-401 | Descriptor: | MM-401, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2014-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human WD repeat domain 5 with compound MM-401 To be Published
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5FFB
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![BU of 5ffb by Molmil](/molmil-images/mine/5ffb) | CopM in the apo form | Descriptor: | CopM | Authors: | Zhao, S, Wang, X, Liu, L. | Deposit date: | 2015-12-18 | Release date: | 2016-09-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM. Acta Crystallogr D Struct Biol, 72, 2016
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5FFC
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![BU of 5ffc by Molmil](/molmil-images/mine/5ffc) | CopM in the Cu(II)-bound form | Descriptor: | COPPER (II) ION, CopM, SULFATE ION | Authors: | Zhao, S, Wang, X, Liu, L. | Deposit date: | 2015-12-18 | Release date: | 2016-09-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM. Acta Crystallogr D Struct Biol, 72, 2016
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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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