6FWK
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4EV4
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![BU of 4ev4 by Molmil](/molmil-images/mine/4ev4) | Crystal structure of serratia fonticola carbapenemase SFC-1 E166A mutant with the acylenzyme intermediate of meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1 | Authors: | Fonseca, F, Spencer, J. | Deposit date: | 2012-04-25 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations. J.Am.Chem.Soc., 134, 2012
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1XGK
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![BU of 1xgk by Molmil](/molmil-images/mine/1xgk) | CRYSTAL STRUCTURE OF N12G AND A18G MUTANT NMRA | Descriptor: | CHLORIDE ION, GLYCEROL, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, ... | Authors: | Lamb, H.K, Ren, J, Park, A, Johnson, C, Leslie, K, Cocklin, S, Thompson, P, Mee, C, Cooper, A, Stammers, D.K, Hawkins, A.R. | Deposit date: | 2004-09-17 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Modulation of the ligand binding properties of the transcription repressor NmrA by GATA-containing DNA and site-directed mutagenesis Protein Sci., 13, 2004
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6FRL
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![BU of 6frl by Molmil](/molmil-images/mine/6frl) | BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Widmann, C, Neubauer, P.R, Sewald, N, Niemann, H.H. | Deposit date: | 2018-02-16 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A flavin-dependent halogenase from metagenomic analysis prefers bromination over chlorination. PLoS ONE, 13, 2018
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4AE7
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![BU of 4ae7 by Molmil](/molmil-images/mine/4ae7) | Crystal structure of human THEM5 | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 5 | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | Deposit date: | 2012-01-09 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development. Mol.Cell.Biol., 32, 2012
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6G9X
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![BU of 6g9x by Molmil](/molmil-images/mine/6g9x) | Crystal structure of a MFS transporter at 2.54 Angstroem resolution | Descriptor: | 2-sulfanylbenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MERCURY (II) ION, ... | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2018-04-11 | Release date: | 2019-07-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanistic basis of L-lactate transport in the SLC16 solute carrier family. Nat Commun, 10, 2019
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4APS
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![BU of 4aps by Molmil](/molmil-images/mine/4aps) | Crystal structure of a POT family peptide transporter in an inward open conformation. | Descriptor: | CADMIUM ION, DI-OR TRIPEPTIDE H+ SYMPORTER | Authors: | Solcan, N, Kwok, J, Fowler, P.W, Cameron, A.D, Drew, D, Iwata, S, Newstead, S. | Deposit date: | 2012-04-05 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Alternating Access Mechanism in the Pot Family of Oligopeptide Transporters. Embo J., 31, 2012
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4AE8
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![BU of 4ae8 by Molmil](/molmil-images/mine/4ae8) | Crystal structure of human THEM4 | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 4 | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | Deposit date: | 2012-01-09 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development. Mol.Cell.Biol., 32, 2012
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4IBG
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![BU of 4ibg by Molmil](/molmil-images/mine/4ibg) | Ebola virus VP35 bound to small molecule | Descriptor: | GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.413 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBB
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![BU of 4ibb by Molmil](/molmil-images/mine/4ibb) | Ebola virus VP35 bound to small molecule | Descriptor: | Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-08 | Release date: | 2014-02-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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6GHQ
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![BU of 6ghq by Molmil](/molmil-images/mine/6ghq) | HtxB D206N protein variant from Pseudomonas stutzeri in a partially open conformation to 1.53 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | Authors: | Bisson, C, Robertson, A.J, Hitchcock, A, Adams, N.B. | Deposit date: | 2018-05-08 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand. Sci Rep, 9, 2019
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4IBD
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![BU of 4ibd by Molmil](/molmil-images/mine/4ibd) | Ebola virus VP35 bound to small molecule | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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3NV0
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![BU of 3nv0 by Molmil](/molmil-images/mine/3nv0) | Crystal structure and mutational analysis of the NXF2/NXT1 heterodimeric complex from caenorhabditis elegans at 1.84 A resolution | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kerkow, D.E, Carmel, A.B, Williamson, J.R. | Deposit date: | 2010-07-07 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The structure of the NXF2/NXT1 heterodimeric complex reveals the combined specificity and versatility of the NTF2-like fold. J.Mol.Biol., 415, 2012
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3J5R
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1G10
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![BU of 1g10 by Molmil](/molmil-images/mine/1g10) | TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR STRUCTURE | Descriptor: | TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR | Authors: | Hemmi, H, Studts, J.M, Chae, Y.K, Song, J, Markley, J.L, Fox, B.G. | Deposit date: | 2000-10-10 | Release date: | 2001-05-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the toluene 4-monooxygenase effector protein (T4moD). Biochemistry, 40, 2001
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6H1E
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![BU of 6h1e by Molmil](/molmil-images/mine/6h1e) | Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide | Descriptor: | HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ... | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | Deposit date: | 2018-07-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells. Nat.Struct.Mol.Biol., 26, 2019
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1XYS
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![BU of 1xys by Molmil](/molmil-images/mine/1xys) | CATALYTIC CORE OF XYLANASE A E246C MUTANT | Descriptor: | CALCIUM ION, XYLANASE A | Authors: | Harris, G.W, Jenkins, J.A, Connerton, I, Pickersgill, R.W. | Deposit date: | 1994-09-02 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the catalytic core of the family F xylanase from Pseudomonas fluorescens and identification of the xylopentaose-binding sites. Structure, 2, 1994
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6GCJ
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![BU of 6gcj by Molmil](/molmil-images/mine/6gcj) | Solution structure of the RodA hydrophobin from Aspergillus fumigatus | Descriptor: | Hydrophobin | Authors: | Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I. | Deposit date: | 2018-04-18 | Release date: | 2019-03-27 | Last modified: | 2019-09-04 | Method: | SOLUTION NMR | Cite: | Assembly and disassembly of Aspergillus fumigatus conidial rodlets Cell Surf, 2019
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4JC5
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![BU of 4jc5 by Molmil](/molmil-images/mine/4jc5) | Immune activator bound to receptor | Descriptor: | (9-oxoacridin-10(9H)-yl)acetic acid, Transmembrane protein 173 | Authors: | Deimling, T, Hopfner, K.P. | Deposit date: | 2013-02-21 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Species-specific detection of the antiviral small-molecule compound CMA by STING. Embo J., 32, 2013
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4IBK
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![BU of 4ibk by Molmil](/molmil-images/mine/4ibk) | Ebola virus VP35 bound to small molecule | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBC
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![BU of 4ibc by Molmil](/molmil-images/mine/4ibc) | Ebola virus VP35 bound to small molecule | Descriptor: | DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.745 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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3WMX
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![BU of 3wmx by Molmil](/molmil-images/mine/3wmx) | GalE-like L-Threonine dehydrogenase from Cupriavidus necator (holo form) | Descriptor: | NAD dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THREONINE | Authors: | Nakano, S, Okazaki, S, Tokiwa, H, Asano, Y. | Deposit date: | 2013-11-29 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding of NAD+ and L-Threonine Induces Stepwise Structural and Flexibility Changes in Cupriavidus necator L-Threonine Dehydrogenase J.Biol.Chem., 289, 2014
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4B6Q
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![BU of 4b6q by Molmil](/molmil-images/mine/4b6q) | Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2R)-2-(benzothiophen-5-yl)methyl-3-dehydroquinic acid | Descriptor: | (1R,2R,4S,5R)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | Authors: | Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2012-08-14 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids. ACS Chem. Biol., 8, 2013
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2A4N
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![BU of 2a4n by Molmil](/molmil-images/mine/2a4n) | Crystal structure of aminoglycoside 6'-N-acetyltransferase complexed with coenzyme A | Descriptor: | COENZYME A, SULFATE ION, aac(6')-Ii | Authors: | Burk, D.L, Xiong, B, Breitbach, C, Berghuis, A.M. | Deposit date: | 2005-06-29 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of aminoglycoside acetyltransferase AAC(6')-Ii in a novel crystal form: structural and normal-mode analyses. Acta Crystallogr.,Sect.D, 61, 2005
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4EQI
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![BU of 4eqi by Molmil](/molmil-images/mine/4eqi) | Crystal structure of serratia fonticola carbapenemase SFC-1 | Descriptor: | 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, SODIUM ION | Authors: | Fonseca, F, Spencer, J. | Deposit date: | 2012-04-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations. J.Am.Chem.Soc., 134, 2012
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