4ZVR
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5A55
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![BU of 5a55 by Molmil](/molmil-images/mine/5a55) | The native structure of GH101 from Streptococcus pneumoniae TIGR4 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ... | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-06-16 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism. J.Biol.Chem., 290, 2015
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4ZVT
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4ZVP
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5A1J
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![BU of 5a1j by Molmil](/molmil-images/mine/5a1j) | Periplasmic Binding Protein CeuE in complex with ferric 4-LICAM | Descriptor: | ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, FE (III) ION, N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) | Authors: | Raines, D.J, Moroz, O.V, Wilson, K.S, Duhme-Klair, A.K. | Deposit date: | 2015-04-30 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Interactions of a Periplasmic Binding Protein with a Tetradentate Siderophore Mimic. Angew.Chem.Int.Ed.Engl., 52, 2013
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4NJ5
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![BU of 4nj5 by Molmil](/molmil-images/mine/4nj5) | Crystal structure of SUVH9 | Descriptor: | Probable histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH9, ZINC ION | Authors: | Du, J, Patel, D.J. | Deposit date: | 2013-11-08 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | SRA- and SET-domain-containing proteins link RNA polymerase V occupancy to DNA methylation. Nature, 507, 2014
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5AD1
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![BU of 5ad1 by Molmil](/molmil-images/mine/5ad1) | A complex of the synthetic siderophore analogue Fe(III)-8-LICAM with the CeuE periplasmic protein from Campylobacter jejuni | Descriptor: | ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, FE (III) ION, N,N'-OCTANE-1,8-DIYLBIS(2,3-DIHYDROXYBENZAMIDE) | Authors: | Blagova, E, Hughes, A, Moroz, O.V, Raines, D.J, Wilde, E.J, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.32 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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5ABH
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![BU of 5abh by Molmil](/molmil-images/mine/5abh) | Structure of GH84 with ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... | Authors: | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | Deposit date: | 2015-08-05 | Release date: | 2015-11-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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7QZ1
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![BU of 7qz1 by Molmil](/molmil-images/mine/7qz1) | Formate dehydrogenase from Starkeya novella | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ... | Authors: | Pontillo, N, Slotboom, D.J, Guskov, A. | Deposit date: | 2022-01-30 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and structural insight into the chemical resistance and cofactor specificity of the formate dehydrogenase from Starkeya novella. Febs J., 290, 2023
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5BO0
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7RH6
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![BU of 7rh6 by Molmil](/molmil-images/mine/7rh6) | Mycobacterial CIII2CIV2 supercomplex, inhibitor free, -Lpqe cyt cc open | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Di Trani, J.M, Yanofsky, D.J, Rubinstein, J.L. | Deposit date: | 2021-07-16 | Release date: | 2021-08-04 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of mycobacterial CIII 2 CIV 2 respiratory supercomplex bound to the tuberculosis drug candidate telacebec (Q203). Elife, 10, 2021
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7RH7
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![BU of 7rh7 by Molmil](/molmil-images/mine/7rh7) | Mycobacterial CIII2CIV2 supercomplex, Telacebec (Q203) bound | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Di Trani, J.M, Yanofsky, D.J, Rubinstein, J.L. | Deposit date: | 2021-07-16 | Release date: | 2021-08-04 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of mycobacterial CIII 2 CIV 2 respiratory supercomplex bound to the tuberculosis drug candidate telacebec (Q203). Elife, 10, 2021
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7RH5
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![BU of 7rh5 by Molmil](/molmil-images/mine/7rh5) | Mycobacterial CIII2CIV2 supercomplex, Inhibitor free | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Di Trani, J.M, Yanofsky, D.J, Rubinstein, J.L. | Deposit date: | 2021-07-16 | Release date: | 2021-08-04 | Last modified: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of mycobacterial CIII 2 CIV 2 respiratory supercomplex bound to the tuberculosis drug candidate telacebec (Q203). Elife, 10, 2021
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5ABE
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![BU of 5abe by Molmil](/molmil-images/mine/5abe) | Structure of GH84 with ligand | Descriptor: | 2-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, O-GLCNACASE BT_4395 | Authors: | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | Deposit date: | 2015-08-05 | Release date: | 2015-11-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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5ADW
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![BU of 5adw by Molmil](/molmil-images/mine/5adw) | The Periplasmic Binding Protein CeuE of Campylobacter jejuni preferentially binds the iron(III) complex of the Linear Dimer Component of Enterobactin | Descriptor: | 2S-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-[(2S)-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-HYDROXY-PROPANOYL]OXY-PROPANOIC ACID, DIMETHYL SULFOXIDE, ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, ... | Authors: | Raines, D.J, Moroz, O.V, Turkenburg, J.P, Wilson, K.S, Duhme-Klair, A.K. | Deposit date: | 2015-08-24 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacteria in an Intense Competition for Iron: Key Component of the Campylobacter Jejuni Iron Uptake System Scavenges Enterobactin Hydrolysis Product. Proc.Natl.Acad.Sci.USA, 113, 2016
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7RMR
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![BU of 7rmr by Molmil](/molmil-images/mine/7rmr) | Crystal structure of [I11L]cycloviolacin O2 | Descriptor: | D-[I11L]cycloviolacin O2, THIOCYANATE ION, [I11L]cycloviolacin O2 | Authors: | Huang, Y.H, Du, Q, Craik, D.J. | Deposit date: | 2021-07-28 | Release date: | 2021-09-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides. Molecules, 26, 2021
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7RIJ
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![BU of 7rij by Molmil](/molmil-images/mine/7rij) | [I11G]hyen D | Descriptor: | ACETATE ION, Cyclotide hyen-D, D-[I11L]hyen D | Authors: | Du, Q, Huang, Y.H, Wang, C.K, Craik, D.J. | Deposit date: | 2021-07-20 | Release date: | 2021-09-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides Molecules, 26(18), 2021
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7RIH
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![BU of 7rih by Molmil](/molmil-images/mine/7rih) | hyen D | Descriptor: | CITRATE ANION, Cyclotide hyen-D, D-[I11L]hyen D | Authors: | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | Deposit date: | 2021-07-20 | Release date: | 2021-09-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides Molecules, 26(18), 2021
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5A3G
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![BU of 5a3g by Molmil](/molmil-images/mine/5a3g) | Structure of herpesvirus nuclear egress complex subunit M50 | Descriptor: | M50 | Authors: | Leigh, K.E, Boeszoermenyi, A, Mansueto, M.S, Sharma, M, Filman, D.J, Coen, D.M, Wagner, G, Hogle, J.M, Arthanari, H. | Deposit date: | 2015-06-01 | Release date: | 2015-07-15 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure of a Herpesvirus Nuclear Egress Complex Subunit Reveals an Interaction Groove that is Essential for Viral Replication Proc.Natl.Acad.Sci.USA, 112, 2015
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7RMS
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![BU of 7rms by Molmil](/molmil-images/mine/7rms) | Crystal structure of [I11G]cycloviolacin O2 | Descriptor: | D-[I11L]cycloviolacin O2, THIOCYANATE ION, [I11L]cycloviolacin O2 | Authors: | Huang, Y.H, Du, Q, Craik, D.J. | Deposit date: | 2021-07-28 | Release date: | 2021-09-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides. Molecules, 26, 2021
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7RII
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![BU of 7rii by Molmil](/molmil-images/mine/7rii) | [I11L]hyen D crystal structure | Descriptor: | Cyclotide hyen-D, PHOSPHATE ION | Authors: | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | Deposit date: | 2021-07-20 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides Molecules, 26(18), 2021
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4YAZ
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![BU of 4yaz by Molmil](/molmil-images/mine/4yaz) | 3',3'-cGAMP riboswitch bound with 3',3'-cGAMP | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Ren, A.M, Patel, D.J, Rajashankar, R.K. | Deposit date: | 2015-02-18 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch. Cell Rep, 11, 2015
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7RFA
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4YB1
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![BU of 4yb1 by Molmil](/molmil-images/mine/4yb1) | 20A Mutant c-di-GMP Vc2 Riboswitch bound with 3',3'-cGAMP | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, MAGNESIUM ION, RNA (91-MER), ... | Authors: | Ren, A.M, Patel, D.J, Rajashankar, R.K. | Deposit date: | 2015-02-18 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.081 Å) | Cite: | Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch. Cell Rep, 11, 2015
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4PE1
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![BU of 4pe1 by Molmil](/molmil-images/mine/4pe1) | Crystal Structure of Calcium-loaded S100B bound to SC124 | Descriptor: | CALCIUM ION, DIETHYLCARBAMODITHIOIC ACID, Protein S100-B | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | Deposit date: | 2014-04-22 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.576 Å) | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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