8E2W
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![BU of 8e2w by Molmil](/molmil-images/mine/8e2w) | Structure of CRISPR-Associated DinG | Descriptor: | CasDinG | Authors: | Domgaard, H, Jackson, R.N. | Deposit date: | 2022-08-16 | Release date: | 2023-06-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | CasDinG is a 5'-3' dsDNA and RNA/DNA helicase with three accessory domains essential for type IV CRISPR immunity. Nucleic Acids Res., 51, 2023
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8BED
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![BU of 8bed by Molmil](/molmil-images/mine/8bed) | |
4R7W
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![BU of 4r7w by Molmil](/molmil-images/mine/4r7w) | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with phosphonocytosine | Descriptor: | (2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide, 1,2-ETHANEDIOL, Cytosine deaminase, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-08-28 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with phosphonocytosine To be Published
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8K7H
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![BU of 8k7h by Molmil](/molmil-images/mine/8k7h) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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8E07
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![BU of 8e07 by Molmil](/molmil-images/mine/8e07) | Crystal structure of HPSE P6 in complex with triose pentosan inhibitor | Descriptor: | 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, AMMONIUM ION, ... | Authors: | Whitefield, C, Jackson, C.J. | Deposit date: | 2022-08-08 | Release date: | 2023-07-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Complex Inhibitory Mechanism of Glycomimetics with Heparanase. Biochemistry, 62, 2023
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8BA0
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![BU of 8ba0 by Molmil](/molmil-images/mine/8ba0) | Drosophila melanogaster complex I in the Twisted state (Dm2) | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ... | Authors: | Agip, A.N.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J. | Deposit date: | 2022-10-10 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster. Elife, 12, 2023
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5MP2
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![BU of 5mp2 by Molmil](/molmil-images/mine/5mp2) | XcpQN012 in complex with VHH04 | Descriptor: | Camelid nanobody VHH04, Type II secretion system protein D | Authors: | Trinh, T.T.N, Roussel, A, Douzi, B, Voulhoux, R. | Deposit date: | 2016-12-15 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics. MBio, 8, 2017
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1RFT
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![BU of 1rft by Molmil](/molmil-images/mine/1rft) | Crystal structure of pyridoxal kinase complexed with AMP-PCP and pyridoxamine | Descriptor: | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Liang, D.-C, Jiang, T, Li, M.-H. | Deposit date: | 2003-11-10 | Release date: | 2004-04-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational changes in the reaction of pyridoxal kinase J.BIOL.CHEM., 279, 2004
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6CIR
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![BU of 6cir by Molmil](/molmil-images/mine/6cir) | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime | Descriptor: | 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Fehl, C. | Deposit date: | 2018-02-25 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.648 Å) | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2. J. Med. Chem., 61, 2018
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1B76
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![BU of 1b76 by Molmil](/molmil-images/mine/1b76) | |
8BVB
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![BU of 8bvb by Molmil](/molmil-images/mine/8bvb) | |
5M94
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![BU of 5m94 by Molmil](/molmil-images/mine/5m94) | |
4QYF
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![BU of 4qyf by Molmil](/molmil-images/mine/4qyf) | CHK1 kinase domain in complex with aminopyrazine compound 13 | Descriptor: | 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1 | Authors: | Appleton, B, Wu, P. | Deposit date: | 2014-07-24 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
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8K7L
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![BU of 8k7l by Molmil](/molmil-images/mine/8k7l) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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8E08
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![BU of 8e08 by Molmil](/molmil-images/mine/8e08) | Crystal structure of HPSE P6 in complex with tetraose pentosan inhibitor | Descriptor: | 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, Heparanase 50 kDa subunit, ... | Authors: | Whitefield, C, Jackson, C.J. | Deposit date: | 2022-08-08 | Release date: | 2023-07-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Complex Inhibitory Mechanism of Glycomimetics with Heparanase. Biochemistry, 62, 2023
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8K7D
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![BU of 8k7d by Molmil](/molmil-images/mine/8k7d) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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8K7F
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![BU of 8k7f by Molmil](/molmil-images/mine/8k7f) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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8B9Z
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![BU of 8b9z by Molmil](/molmil-images/mine/8b9z) | Drosophila melanogaster complex I in the Active state (Dm1) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Agip, A.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J. | Deposit date: | 2022-10-10 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster. Elife, 12, 2023
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8K7G
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![BU of 8k7g by Molmil](/molmil-images/mine/8k7g) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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8BVM
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![BU of 8bvm by Molmil](/molmil-images/mine/8bvm) | |
8BPX
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![BU of 8bpx by Molmil](/molmil-images/mine/8bpx) | Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete composition) | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | Authors: | Klusch, N, Kuehlbrandt, W. | Deposit date: | 2022-11-18 | Release date: | 2023-01-25 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.09 Å) | Cite: | Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution. Nat.Plants, 9, 2023
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5MBQ
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![BU of 5mbq by Molmil](/molmil-images/mine/5mbq) | CeuE (H227A variant) a periplasmic protein from Campylobacter jejuni | Descriptor: | Enterochelin uptake periplasmic binding protein | Authors: | Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-11-08 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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5MCE
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![BU of 5mce by Molmil](/molmil-images/mine/5mce) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 5.43 MGy | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | Authors: | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | Deposit date: | 2016-11-09 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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4JMH
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![BU of 4jmh by Molmil](/molmil-images/mine/4jmh) | |
8FL9
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![BU of 8fl9 by Molmil](/molmil-images/mine/8fl9) | |