7EUP
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![BU of 7eup by Molmil](/molmil-images/mine/7eup) | Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis. | Descriptor: | (2S,3R)-2-azanyl-3-phenyl-butanoic acid, Cupin domain-containing protein, FE (III) ION | Authors: | Li, T.L, Li, Y.S, Chen, M.H. | Deposit date: | 2021-05-18 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.11043429 Å) | Cite: | Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions. Acs Catalysis, 12, 2022
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7EU6
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6WSL
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![BU of 6wsl by Molmil](/molmil-images/mine/6wsl) | Cryo-EM structure of VASH1-SVBP bound to microtubules | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Small vasohibin-binding protein, ... | Authors: | Li, F, Li, Y, Yu, H. | Deposit date: | 2020-05-01 | Release date: | 2020-08-26 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structure of VASH1-SVBP bound to microtubules. Elife, 9, 2020
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8SHJ
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![BU of 8shj by Molmil](/molmil-images/mine/8shj) | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-14 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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2SLI
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![BU of 2sli by Molmil](/molmil-images/mine/2sli) | LEECH INTRAMOLECULAR TRANS-SIALIDASE COMPLEXED WITH 2,7-ANHYDRO-NEU5AC, THE REACTION PRODUCT | Descriptor: | 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID, INTRAMOLECULAR TRANS-SIALIDASE | Authors: | Luo, Y, Li, S.C, Li, Y.T, Luo, M. | Deposit date: | 1998-10-03 | Release date: | 1999-04-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The 1.8 A structures of leech intramolecular trans-sialidase complexes: evidence of its enzymatic mechanism. J.Mol.Biol., 285, 1999
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5MSZ
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![BU of 5msz by Molmil](/molmil-images/mine/5msz) | Lytic Polysaccharide Monooxygenase AA15 from Thermobia domestica in the Cu(I) State | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15 | Authors: | Hemsworth, G.R, Sabbadin, F, Ciano, L, Henrissat, B, Dupree, P, Tryfona, T, Besser, K, Elias, L, Pesante, G, Li, Y, Dowle, A, Bates, R, Gomez, L, Hallam, R, Davies, G.J, Walton, P.H, Bruce, N.C, McQueen-Mason, S. | Deposit date: | 2017-01-06 | Release date: | 2018-02-28 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion. Nat Commun, 9, 2018
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8T55
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![BU of 8t55 by Molmil](/molmil-images/mine/8t55) | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-12 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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7EPZ
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![BU of 7epz by Molmil](/molmil-images/mine/7epz) | Overall structure of Erastin-bound xCT-4F2hc complex | Descriptor: | 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q. | Deposit date: | 2021-04-28 | Release date: | 2022-04-06 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis. Cell Res., 32, 2022
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4RO0
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![BU of 4ro0 by Molmil](/molmil-images/mine/4ro0) | Crystal structure of MthK gating ring in a ligand-free form | Descriptor: | Calcium-gated potassium channel MthK | Authors: | Dong, W, Guo, R, Chai, H, Chen, Z, Cui, H, Ren, Z, Li, Y, Ye, S. | Deposit date: | 2014-10-27 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | The principle of cooperative gating in a calcium-gated K+ channel To be Published
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7R5L
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![BU of 7r5l by Molmil](/molmil-images/mine/7r5l) | Crystal structure of YTHDF2 with compound YLI_DC1_015 | Descriptor: | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one, SULFATE ION, YTH domain-containing family protein 2 | Authors: | Nachawati, R, Nai, F, Li, Y, Caflisch, A. | Deposit date: | 2022-02-10 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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7VLN
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![BU of 7vln by Molmil](/molmil-images/mine/7vln) | NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | Descriptor: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | Authors: | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | Deposit date: | 2021-10-05 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors. J.Med.Chem., 65, 2022
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5JYY
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![BU of 5jyy by Molmil](/molmil-images/mine/5jyy) | Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid, CALCIUM ION, ... | Authors: | Fu, L, Wu, Y, Bi, Y, Zhang, S, Lv, X, Qi, J, Li, Y, Lu, X, Yan, J, Gao, G.F, Li, X. | Deposit date: | 2016-05-15 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses J.Med.Chem., 59, 2016
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5GJA
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![BU of 5gja by Molmil](/molmil-images/mine/5gja) | Crystal structure of Arabidopsis thaliana ACO2 in complex with 2-PA | Descriptor: | 1-aminocyclopropane-1-carboxylate oxidase 2, PYRIDINE-2-CARBOXYLIC ACID, ZINC ION | Authors: | Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W. | Deposit date: | 2016-06-28 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase. Nat Commun, 8, 2017
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7F6X
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![BU of 7f6x by Molmil](/molmil-images/mine/7f6x) | Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis. | Descriptor: | 1H-INDOLE-3-CARBALDEHYDE, Cupin domain-containing protein, FE (III) ION, ... | Authors: | Li, T.L, Li, Y.S, Chen, M.H. | Deposit date: | 2021-06-26 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural and Mechanistic Bases for StnK3 and Its Mutant-MediatedLewis-Acid-Dependent Epimerization and Retro-Aldol Reactions. Acs Catalysis, 12, 2022
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8AB1
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![BU of 8ab1 by Molmil](/molmil-images/mine/8ab1) | Crystal structure of the PulL-PulM C-terminal domain heterocomplex | Descriptor: | Type II secretion system protein L, Type II secretion system protein M | Authors: | Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N. | Deposit date: | 2022-07-04 | Release date: | 2023-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system. Structure, 31, 2023
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3EPZ
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![BU of 3epz by Molmil](/molmil-images/mine/3epz) | Structure of the replication foci-targeting sequence of human DNA cytosine methyltransferase DNMT1 | Descriptor: | DNA (cytosine-5)-methyltransferase 1, GLYCEROL, SODIUM ION, ... | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-30 | Release date: | 2008-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The replication focus targeting sequence (RFTS) domain is a DNA-competitive inhibitor of Dnmt1. J.Biol.Chem., 286, 2011
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5I78
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![BU of 5i78 by Molmil](/molmil-images/mine/5i78) | Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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5I79
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![BU of 5i79 by Molmil](/molmil-images/mine/5i79) | Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex with sugar | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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6DUB
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![BU of 6dub by Molmil](/molmil-images/mine/6dub) | Crystal structure of a methyltransferase | Descriptor: | Alpha N-terminal protein methyltransferase 1B, GLYCEROL, RCC1, ... | Authors: | Dong, C, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-20 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2. Commun Biol, 1, 2018
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4Y1L
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![BU of 4y1l by Molmil](/molmil-images/mine/4y1l) | Ubc9 Homodimer The Missing Link in Poly-SUMO Chain Formation | Descriptor: | RWD domain-containing protein 3, SUMO-conjugating enzyme UBC9 | Authors: | Aileen, Y.A, Ambaye, N.D, Li, Y.J, Vega, R, Bzymek, K, Williams, J.C, Hu, W, Chen, Y. | Deposit date: | 2015-02-08 | Release date: | 2015-05-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | RWD Domain as an E2 (Ubc9)-Interaction Module. J.Biol.Chem., 290, 2015
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4Y29
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![BU of 4y29 by Molmil](/molmil-images/mine/4y29) | Identification of a novel PPARg ligand that regulates metabolism | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Wang, R, Li, Y. | Deposit date: | 2015-02-09 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective targeting of PPAR gamma by the natural product chelerythrine with a unique binding mode and improved antidiabetic potency. Sci Rep, 5, 2015
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5GJ9
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![BU of 5gj9 by Molmil](/molmil-images/mine/5gj9) | Crystal structure of Arabidopsis thaliana ACO2 in complex with POA | Descriptor: | 1-aminocyclopropane-1-carboxylate oxidase 2, PYRAZINE-2-CARBOXYLIC ACID, ZINC ION | Authors: | Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W. | Deposit date: | 2016-06-28 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase. Nat Commun, 8, 2017
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8IP4
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![BU of 8ip4 by Molmil](/molmil-images/mine/8ip4) | Cryo-EM structure of hMRS-highEDTA | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP5
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![BU of 8ip5 by Molmil](/molmil-images/mine/8ip5) | Cryo-EM structure of hMRS2-lowEDTA | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP6
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![BU of 8ip6 by Molmil](/molmil-images/mine/8ip6) | Cryo-EM structure of hMRS2-rest | Descriptor: | CHLORIDE ION, Magnesium transporter MRS2 homolog, mitochondrial | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2023-03-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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