5CJT
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![BU of 5cjt by Molmil](/molmil-images/mine/5cjt) | Isobutyryl-CoA mutase fused with bound adenosylcobalamin, GDP, Mg (holo-IcmF/GDP), and substrate isobutyryl-coenzyme A | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Jost, M, Drennan, C.L. | Deposit date: | 2015-07-15 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Basis for Substrate Specificity in Adenosylcobalamin-dependent Isobutyryl-CoA Mutase and Related Acyl-CoA Mutases. J.Biol.Chem., 290, 2015
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6HZK
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![BU of 6hzk by Molmil](/molmil-images/mine/6hzk) | Crystal structure of redox-inhibited phosphoribulokinase from Synechococcus sp. (strain PCC 6301) | Descriptor: | Phosphoribulokinase | Authors: | Wilson, R.H, Bracher, A, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2018-10-23 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of phosphoribulokinase from Synechococcus sp. strain PCC 6301. Acta Crystallogr.,Sect.F, 75, 2019
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4N2D
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![BU of 4n2d by Molmil](/molmil-images/mine/4n2d) | Crystal structure of Protein Arginine Deiminase 2 (D123N, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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3MPJ
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![BU of 3mpj by Molmil](/molmil-images/mine/3mpj) | Structure of the glutaryl-coenzyme A dehydrogenase | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Glutaryl-CoA dehydrogenase, ... | Authors: | Wischgoll, S, Warkentin, E, Boll, M, Ermler, U. | Deposit date: | 2010-04-27 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for promoting and preventing decarboxylation in glutaryl-coenzyme a dehydrogenases. Biochemistry, 49, 2010
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3M4E
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![BU of 3m4e by Molmil](/molmil-images/mine/3m4e) | |
6FZ8
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![BU of 6fz8 by Molmil](/molmil-images/mine/6fz8) | Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant L184F/A187F | Descriptor: | CALCIUM ION, Lipase, ZINC ION | Authors: | Gihaz, S, Kanteev, M, Pazy, Y, Fishman, A. | Deposit date: | 2018-03-14 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Filling the Void: Introducing Aromatic Interactions into Solvent Tunnels To Enhance Lipase Stability in Methanol. Appl.Environ.Microbiol., 84, 2018
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1KQ7
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![BU of 1kq7 by Molmil](/molmil-images/mine/1kq7) | E315Q Mutant Form of Fumarase C from E.coli | Descriptor: | CITRIC ACID, D-MALATE, FUMARATE HYDRATASE CLASS II | Authors: | Weaver, T.M, Estevez, M, Skarda, J, Spencer, J. | Deposit date: | 2002-01-04 | Release date: | 2002-08-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray crystallographic and kinetic correlation of a clinically observed human fumarase mutation. Protein Sci., 11, 2002
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6FZD
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![BU of 6fzd by Molmil](/molmil-images/mine/6fzd) | Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant L184F/A187F/L360F | Descriptor: | CALCIUM ION, Lipase, ZINC ION | Authors: | Gihaz, S, Kanteev, M, Pazy, Y, Fishman, A. | Deposit date: | 2018-03-14 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Filling the Void: Introducing Aromatic Interactions into Solvent Tunnels To Enhance Lipase Stability in Methanol. Appl.Environ.Microbiol., 84, 2018
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1KPK
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![BU of 1kpk by Molmil](/molmil-images/mine/1kpk) | Crystal Structure of the ClC Chloride Channel from E. coli | Descriptor: | putative channel transporter | Authors: | Dutzler, R, Campbell, E.B, Cadene, M, Chait, B.T, MacKinnon, R. | Deposit date: | 2001-12-31 | Release date: | 2002-01-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | X-ray structure of a ClC chloride channel at 3.0 A reveals the molecular basis of
anion selectivity. Nature, 415, 2002
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4MTV
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![BU of 4mtv by Molmil](/molmil-images/mine/4mtv) | Crystal structure of the complex of Buffalo Signalling Glycoprotein with pentasaccharide at 2.8A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1 | Authors: | Shukla, P.K, Chaudhary, A, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-09-20 | Release date: | 2013-10-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the complex of Buffalo Signalling Glycoprotein with pentasaccharide at 2.8A resolution To be Published
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3M5W
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![BU of 3m5w by Molmil](/molmil-images/mine/3m5w) | Crystal Structure of Tryptophanyl-tRNA Synthetase from Campylobacter jejuni | Descriptor: | GLYCEROL, SULFATE ION, Tryptophanyl-tRNA synthetase | Authors: | Kim, Y, Zhou, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-03-14 | Release date: | 2010-03-31 | Last modified: | 2014-10-01 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal Structure of Tryptophanyl-tRNA Synthetase from Campylobacter jejuni To be Published, 2010
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6G1J
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![BU of 6g1j by Molmil](/molmil-images/mine/6g1j) | Phosphotriesterase PTE_C23M_1 | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-21 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphotriesterase
PTE_C23M_1 To Be Published
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1KS7
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![BU of 1ks7 by Molmil](/molmil-images/mine/1ks7) | |
8A1R
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![BU of 8a1r by Molmil](/molmil-images/mine/8a1r) | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo. Nat Commun, 14, 2023
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6GBU
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![BU of 6gbu by Molmil](/molmil-images/mine/6gbu) | Crystal structure of the second SH3 domain of FCHSD2 (SH3-2) in complex with the fourth SH3 domain of ITSN1 (SH3d) | Descriptor: | F-BAR and double SH3 domains protein 2, Intersectin-1 | Authors: | Almeida-Souza, L, Frank, R, Garcia-Nafria, J, Colussi, A, Gunawardana, N, Johnson, C.M, Yu, M, Howard, G, Andrews, B, Vallis, Y, McMahon, H.T. | Deposit date: | 2018-04-16 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.44 Å) | Cite: | A Flat BAR Protein Promotes Actin Polymerization at the Base of Clathrin-Coated Pits. Cell, 174, 2018
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6G2P
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![BU of 6g2p by Molmil](/molmil-images/mine/6g2p) | Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with L-tryptophan | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | Deposit date: | 2018-03-23 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A semi-synthetic strategy for derivatization of the violacein natural product scaffold Biorxiv, 2018
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4MV0
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![BU of 4mv0 by Molmil](/molmil-images/mine/4mv0) | IspH in complex with pyridin-2-ylmethyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-2-ylmethyl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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1KW3
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![BU of 1kw3 by Molmil](/molmil-images/mine/1kw3) | Crystal structure of 2,3-dihydroxybiphenyal dioxygenase (BphC) at 1.45 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3-Dihydroxybiphenyl dioxygenase, FE (II) ION | Authors: | Sato, N, Uragami, Y, Nishizaki, T, Takahashi, Y, Sazaki, G, Sugimoto, K, Nonaka, T, Masai, E, Fukuda, M, Senda, T. | Deposit date: | 2002-01-28 | Release date: | 2003-01-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structures of the Reaction Intermediate and its Homologue of an Extradiol-cleaving Catecholic Dioxygenase J.Mol.Biol., 321, 2002
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3MGZ
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![BU of 3mgz by Molmil](/molmil-images/mine/3mgz) | Crystal structure of DHBPS domain of bi-functional DHBPS/GTP cyclohydrolase II from Mycobacterium tuberculosis at pH 4.0 | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, SULFATE ION | Authors: | Singh, M, Kumar, P, Karthikeyan, S. | Deposit date: | 2010-04-07 | Release date: | 2011-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis for pH dependent monomer-dimer transition of 3,4-dihydroxy 2-butanone-4-phosphate synthase domain from Mycobacterium tuberculosis J.Struct.Biol., 174, 2011
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3LZJ
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![BU of 3lzj by Molmil](/molmil-images/mine/3lzj) | RB69 DNA Polymerase (Y567A) ternary complex with dCTP Opposite 7,8-Dihydro-8-oxoguanine | Descriptor: | CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | Authors: | Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H. | Deposit date: | 2010-03-01 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Substitution of Ala for Tyr567 in RB69 DNA polymerase allows dAMP to be inserted opposite 7,8-dihydro-8-oxoguanine . Biochemistry, 49, 2010
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5CBW
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![BU of 5cbw by Molmil](/molmil-images/mine/5cbw) | Human Cyclophilin D Complexed with Inhibitor. | Descriptor: | FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-01 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor. To Be Published
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6I2Q
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![BU of 6i2q by Molmil](/molmil-images/mine/6i2q) | Crystal structure of the wild-type SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), in complex with GarA | Descriptor: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | Authors: | Wagner, T, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2018-11-01 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling. Sci.Signal., 12, 2019
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6FWE
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![BU of 6fwe by Molmil](/molmil-images/mine/6fwe) | Phosphotriesterase PTE_C23_6 | Descriptor: | 1-[methoxy(methyl)phosphoryl]oxyethane, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-06 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.774 Å) | Cite: | Phosphotriesterase
PTE_C23_6 To Be Published
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7ZTH
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![BU of 7zth by Molmil](/molmil-images/mine/7zth) | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the open conformation | Descriptor: | DNA (48-MER), PLP-dependent aminotransferase family protein | Authors: | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | Deposit date: | 2022-05-10 | Release date: | 2023-07-05 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR. Nucleic Acids Res., 51, 2023
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6G4M
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![BU of 6g4m by Molmil](/molmil-images/mine/6g4m) | Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 1 | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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