4LI7
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![BU of 4li7 by Molmil](/molmil-images/mine/4li7) | TANKYRASE-1 complexed with small molecule inhibitor 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide | Descriptor: | 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide, SODIUM ION, SULFATE ION, ... | Authors: | Kirby, C.A, Stams, T. | Deposit date: | 2013-07-02 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
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4LI6
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![BU of 4li6 by Molmil](/molmil-images/mine/4li6) | TANKYRASE-1 Complexed with small molecule inhibitor N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide | Descriptor: | N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide, SULFATE ION, Tankyrase-1, ... | Authors: | Kirby, C.A, Stams, T. | Deposit date: | 2013-07-02 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
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4KRS
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![BU of 4krs by Molmil](/molmil-images/mine/4krs) | Tankyrase-1 complexed with small molecule inhibitor | Descriptor: | 4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide, SULFATE ION, Tankyrase-1, ... | Authors: | Stams, T, Kirby, C. | Deposit date: | 2013-05-17 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure-Efficiency Relationship of [1,2,4]Triazol-3-ylamines as Novel Nicotinamide Isosteres that Inhibit Tankyrases. J.Med.Chem., 56, 2013
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4LI8
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![BU of 4li8 by Molmil](/molmil-images/mine/4li8) | TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide | Descriptor: | 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ... | Authors: | Kirby, C.A, Stams, T. | Deposit date: | 2013-07-02 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.521 Å) | Cite: | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
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5EWI
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![BU of 5ewi by Molmil](/molmil-images/mine/5ewi) | |
3UDC
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![BU of 3udc by Molmil](/molmil-images/mine/3udc) | Crystal structure of a membrane protein | Descriptor: | Small-conductance mechanosensitive channel, C-terminal peptide from Small-conductance mechanosensitive channel | Authors: | Li, W, Ge, J, Yang, M. | Deposit date: | 2011-10-28 | Release date: | 2012-10-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.355 Å) | Cite: | Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance Proc.Natl.Acad.Sci.USA, 109, 2012
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4M7I
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![BU of 4m7i by Molmil](/molmil-images/mine/4m7i) | Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Gampe, R.T, Axten, J.M. | Deposit date: | 2013-08-12 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development To be Published
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4M5D
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3NCO
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![BU of 3nco by Molmil](/molmil-images/mine/3nco) | Crystal structure of FnCel5A from F. nodosum Rt17-B1 | Descriptor: | Endoglucanase FnCel5A, PHOSPHATE ION, peptide (ALA)(ASN)(GLU), ... | Authors: | Zheng, B.S, Yang, W, Wang, Y, Lou, Z.Y, Rao, Z.H, Feng, Y. | Deposit date: | 2010-06-05 | Release date: | 2011-06-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of FnCel5A from F. nodosum Rt17-B1 To be Published
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8HIH
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![BU of 8hih by Molmil](/molmil-images/mine/8hih) | Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Lin, W, Shi, J, Xu, J.C. | Deposit date: | 2022-11-20 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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8HML
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![BU of 8hml by Molmil](/molmil-images/mine/8hml) | |
6LBP
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![BU of 6lbp by Molmil](/molmil-images/mine/6lbp) | Structure of the Glutamine Phosphoribosylpyrophosphate Amidotransferase from Arabidopsis thaliana | Descriptor: | Amidophosphoribosyltransferase 2, chloroplastic, IRON/SULFUR CLUSTER | Authors: | Yi, Z, Cao, X, Han, F, Feng, Y. | Deposit date: | 2019-11-14 | Release date: | 2020-04-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.065 Å) | Cite: | Crystal Structure of the Chloroplastic Glutamine Phosphoribosylpyrophosphate Amidotransferase GPRAT2 FromArabidopsis thaliana. Front Plant Sci, 11, 2020
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7WWF
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![BU of 7wwf by Molmil](/molmil-images/mine/7wwf) | Crystal structure of BioH3 from Mycolicibacterium smegmatis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase | Authors: | Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J. | Deposit date: | 2022-02-12 | Release date: | 2022-07-06 | Last modified: | 2023-01-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target. Plos Pathog., 18, 2022
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4QGU
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![BU of 4qgu by Molmil](/molmil-images/mine/4qgu) | protein domain complex with ssDNA | Descriptor: | DNA (5'-D(P*AP*GP*GP*CP*CP*GP*GP*CP*GP*TP*GP*A)-3'), Gamma-interferon-inducible protein 16 | Authors: | Ni, X, Ru, H, Zhao, L, Shaw, N, Ding, W, Songying, O, Liu, Z.-J. | Deposit date: | 2014-05-25 | Release date: | 2015-06-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | New insights into the structural basis of DNA recognition by HINa and HINb domains of IFI16. J Mol Cell Biol, 8, 2016
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8H97
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![BU of 8h97 by Molmil](/molmil-images/mine/8h97) | GH86 agarase Aga86A_Wa | Descriptor: | Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL | Authors: | Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G. | Deposit date: | 2022-10-25 | Release date: | 2023-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1. Carbohydr Polym, 306, 2023
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8HDJ
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8WBO
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![BU of 8wbo by Molmil](/molmil-images/mine/8wbo) | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant D18N complexed with sulfate ions | Descriptor: | Epoxide hydrolase, SULFATE ION | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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8WBS
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![BU of 8wbs by Molmil](/molmil-images/mine/8wbs) | Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L]-D48N complexed with sulfate ions | Descriptor: | (S)-2-haloacid dehalogenase, CALCIUM ION, SULFATE ION | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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8WBR
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![BU of 8wbr by Molmil](/molmil-images/mine/8wbr) | Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L] | Descriptor: | (S)-2-haloacid dehalogenase, CALCIUM ION | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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8WBK
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![BU of 8wbk by Molmil](/molmil-images/mine/8wbk) | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] | Descriptor: | Epoxide hydrolase, SULFATE ION | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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8WBT
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![BU of 8wbt by Molmil](/molmil-images/mine/8wbt) | Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L] mutant D48N complexed with L-TA | Descriptor: | (S)-2-haloacid dehalogenase, CALCIUM ION, GLYCEROL, ... | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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8WBP
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8WBQ
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![BU of 8wbq by Molmil](/molmil-images/mine/8wbq) | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant E212Q complexed with L-TA. | Descriptor: | Epoxide hydrolase, L(+)-TARTARIC ACID | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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8WBN
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![BU of 8wbn by Molmil](/molmil-images/mine/8wbn) | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant D193N | Descriptor: | Epoxide hydrolase, SULFATE ION | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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8WBL
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![BU of 8wbl by Molmil](/molmil-images/mine/8wbl) | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] complexed with sulfate ions | Descriptor: | Epoxide hydrolase, SULFATE ION | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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