3UMF
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5VQJ
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8Y22
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![BU of 8y22 by Molmil](/molmil-images/mine/8y22) | FGFR1 kinase domain with a covalent inhibitor 9g | Descriptor: | Fibroblast growth factor receptor 1, SULFATE ION, ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide | Authors: | Chen, X.J, Chen, Y.H. | Deposit date: | 2024-01-25 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.792 Å) | Cite: | Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors. Eur.J.Med.Chem., 275, 2024
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5VRN
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![BU of 5vrn by Molmil](/molmil-images/mine/5vrn) | CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Abendroth, J, Edwards, T.E, Lorimer, D. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
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4W87
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![BU of 4w87 by Molmil](/molmil-images/mine/4w87) | Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from metagenomic library, in complex with a xyloglucan oligosaccharide | Descriptor: | MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T. | Deposit date: | 2014-08-22 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family. Biochemistry, 54, 2015
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5VSN
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3UGG
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![BU of 3ugg by Molmil](/molmil-images/mine/3ugg) | Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis in complex with 1-kestose | Descriptor: | GLYCEROL, SULFATE ION, Sucrose:(Sucrose/fructan) 6-fructosyltransferase, ... | Authors: | Lammens, W, Rabijns, A, Van Laere, A, Strelkov, S.V, Van den Ende, W. | Deposit date: | 2011-11-02 | Release date: | 2011-11-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose. Plant J., 70, 2012
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8XM5
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![BU of 8xm5 by Molmil](/molmil-images/mine/8xm5) | Cryo-EM structure of SARS-CoV-2 Omicron EG.5 spike protein(6P), RBD-closed state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F. | Deposit date: | 2023-12-27 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural basis of receptor binding and immune escape for SARS-CoV-2 Omicron BA.2.86, EG.5, EG.5.1 and HV.1 sub-variants To Be Published
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9AYY
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8XUT
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![BU of 8xut by Molmil](/molmil-images/mine/8xut) | XBB.1.5 Spike Trimer in complex with heparan sulfate | Descriptor: | 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Yue, C, Liu, P, Mao, X. | Deposit date: | 2024-01-14 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity Natl Sci Rev, 2024
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5VEM
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![BU of 5vem by Molmil](/molmil-images/mine/5vem) | Human ectonucleotide pyrophosphatase / phosphodiesterase 5 (ENPP5, NPP5) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleotide pyrophosphatase/phosphodiesterase family member 5, ... | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | Deposit date: | 2017-04-05 | Release date: | 2017-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5. FEBS J., 284, 2017
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5VVE
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3H6K
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5VFX
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![BU of 5vfx by Molmil](/molmil-images/mine/5vfx) | Structure of an accessory protein of the pCW3 relaxosome in complex with the origin of transfer (oriT) DNA | Descriptor: | TcpK, oriT | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | Deposit date: | 2017-04-10 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3. Nat Commun, 9, 2018
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3ULJ
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![BU of 3ulj by Molmil](/molmil-images/mine/3ulj) | Crystal structure of apo Lin28B cold shock domain | Descriptor: | ACETATE ION, GLYCEROL, Lin28b, ... | Authors: | Mayr, F, Schuetz, A, Doege, N, Heinemann, U. | Deposit date: | 2011-11-10 | Release date: | 2012-08-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | The Lin28 cold-shock domain remodels pre-let-7 microRNA. Nucleic Acids Res., 40, 2012
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4F7W
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![BU of 4f7w by Molmil](/molmil-images/mine/4f7w) | Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with N-pentylpantothenamide | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ... | Authors: | Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC) | Deposit date: | 2012-05-16 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides. Proteins, 81, 2013
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3UD5
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![BU of 3ud5 by Molmil](/molmil-images/mine/3ud5) | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | Authors: | Shaw, G, Shi, G, Ji, X. | Deposit date: | 2011-10-27 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
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4FBC
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![BU of 4fbc by Molmil](/molmil-images/mine/4fbc) | Structure of mutant RIP from barley seeds in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Protein synthesis inhibitor I | Authors: | Lee, B.-G, Kim, M.K, Suh, S.W, Song, H.K. | Deposit date: | 2012-05-22 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of the ribosome-inactivating protein from barley seeds reveal a unique activation mechanism. Acta Crystallogr.,Sect.D, 68, 2012
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4O7S
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4O86
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3UF7
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4FLH
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![BU of 4flh by Molmil](/molmil-images/mine/4flh) | Crystal structure of human PI3K-gamma in complex with AMG511 | Descriptor: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-14 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511. J.Med.Chem., 55, 2012
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4OGK
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![BU of 4ogk by Molmil](/molmil-images/mine/4ogk) | X-ray structure of the uridine phosphorylase from Salmonella typhimurium in complex with thymidine at 2.40 A resolution | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL, ... | Authors: | Sotnichenko, S.E, Lashkov, A.A, Gabdoulkhakov, A.G, Mikhailov, A.M. | Deposit date: | 2014-01-16 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structure of the uridine phosphorylase from Salmonella typhimurium in complex with thymidine at 2.40 A resolution To be Published
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3UFX
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![BU of 3ufx by Molmil](/molmil-images/mine/3ufx) | Thermus aquaticus succinyl-CoA synthetase in complex with GDP-Mn2+ | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Succinyl-CoA synthetase beta subunit, ... | Authors: | Fraser, M.E. | Deposit date: | 2011-11-01 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Biochemical and structural characterization of the GTP-preferring succinyl-CoA synthetase from Thermus aquaticus. Acta Crystallogr.,Sect.D, 68, 2012
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3UGV
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![BU of 3ugv by Molmil](/molmil-images/mine/3ugv) | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG | Descriptor: | CHLORIDE ION, Enolase, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-11-03 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG to be published
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