1R5W
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![BU of 1r5w by Molmil](/molmil-images/mine/1r5w) | Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T-cell activation | Descriptor: | H-2 class II histocompatibility antigen, E-K alpha chain, MHC H2-IE-beta, ... | Authors: | Krogsgaard, M, Prado, N, Adams, E, He, X, Chow, D.C, Wilson, D.B, Garcia, K.C, Davis, M.M. | Deposit date: | 2003-10-13 | Release date: | 2004-03-02 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T cell activation Mol.Cell, 12, 2003
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5LMC
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![BU of 5lmc by Molmil](/molmil-images/mine/5lmc) | Oxidized flavodiiron core of Escherichia coli flavorubredoxin, including the Fe-4SG atoms from its rubredoxin domain | Descriptor: | ACETIC ACID, Anaerobic nitric oxide reductase flavorubredoxin, CACODYLATE ION, ... | Authors: | Romao, C.V, Borges, P.T, Vicente, J.B, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2016-07-29 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase. J.Mol.Biol., 428, 2016
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2BBF
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![BU of 2bbf by Molmil](/molmil-images/mine/2bbf) | Crystal structure of tRNA-guanine transglycosylase (TGT) from Zymomonas mobilis in complex with 6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, ZINC ION, tRNA guanine transglycosylase | Authors: | Stengl, B, Meyer, E.A, Heine, A, Brenk, R, Diederich, F, Klebe, G. | Deposit date: | 2005-10-17 | Release date: | 2007-04-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding. J.Mol.Biol., 370, 2007
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4WLF
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![BU of 4wlf by Molmil](/molmil-images/mine/4wlf) | Crystal structure of L-malate bound MDH2 | Descriptor: | (2S)-2-hydroxybutanedioic acid, Malate dehydrogenase, mitochondrial, ... | Authors: | Eo, Y.M, Han, B.G, Ahn, H.C. | Deposit date: | 2014-10-07 | Release date: | 2015-11-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of L-malate bound MDH2 To Be Published
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8TZN
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![BU of 8tzn by Molmil](/molmil-images/mine/8tzn) | |
2B99
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![BU of 2b99 by Molmil](/molmil-images/mine/2b99) | Crystal Structure of an archaeal pentameric riboflavin synthase Complex with a Substrate analog inhibitor | Descriptor: | 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, Riboflavin synthase | Authors: | Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M. | Deposit date: | 2005-10-11 | Release date: | 2005-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications J.Biol.Chem., 281, 2006
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4V3H
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![BU of 4v3h by Molmil](/molmil-images/mine/4v3h) | Crystal structure of CymA from Klebsiella oxytoca | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA PROTEIN, NITRATE ION | Authors: | van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M. | Deposit date: | 2014-10-18 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Outer-membrane translocation of bulky small molecules by passive diffusion. Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4ZMA
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![BU of 4zma by Molmil](/molmil-images/mine/4zma) | Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor | Descriptor: | CACODYLATE ION, CALCIUM ION, Coagulation factor VII, ... | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | Deposit date: | 2015-05-02 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity. J.Biol.Chem., 291, 2016
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8SZO
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![BU of 8szo by Molmil](/molmil-images/mine/8szo) | Canavalia villosa lectin in complex with alpha-methyl-mannoside | Descriptor: | CALCIUM ION, Canavalia villosa lectin, GLYCEROL, ... | Authors: | Cavada, B.S, Lossio, C.F, Pinto-Junior, V.R, Osterne, V.J.S, Oliveira, M.V, Neco, A.H.B, Nascimento, K.S. | Deposit date: | 2023-05-30 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lectin from Canavalia villosa seeds: A glucose/mannose-specific protein and a new tool for inflammation studies. Int J Biol Macromol, 105, 2017
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4ZPW
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![BU of 4zpw by Molmil](/molmil-images/mine/4zpw) | Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike glycoprotein | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2015-05-08 | Release date: | 2015-08-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.023 Å) | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV. Nat Commun, 6, 2015
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2LJW
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![BU of 2ljw by Molmil](/molmil-images/mine/2ljw) | Solution NMR structure of Alr2454 protein from Nostoc sp. strain PCC 7120, Northeast Structural Genomics Consortium Target NsR264 | Descriptor: | Alr2454 protein | Authors: | Aramini, J.M, Lee, D, Ciccosanti, C, Janjua, H, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-29 | Release date: | 2011-10-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of Alr2454 from Nostoc sp. PCC 7120, the first structural representative of Pfam domain family PF11267. J.Struct.Funct.Genom., 13, 2012
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2LOY
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![BU of 2loy by Molmil](/molmil-images/mine/2loy) | Refined Miminal Constraint Solution NMR Structure of Translationally-controlled tumor protein (TCTP) from Caenorhabditis elegans, Northeast Structural Genomics Consortium Target WR73 | Descriptor: | Translationally-controlled tumor protein homolog | Authors: | Aramini, J.M, Rossi, P, Cort, J.R, Lee, H, Janjua, H, Maglaqui, M, Cooper, B, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-01-27 | Release date: | 2012-02-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples. Proc.Natl.Acad.Sci.USA, 109, 2012
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4TZ5
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![BU of 4tz5 by Molmil](/molmil-images/mine/4tz5) | Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminarihexaose | Descriptor: | 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | Authors: | Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G. | Deposit date: | 2014-07-09 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Active site and laminarin binding in glycoside hydrolase family 55. J.Biol.Chem., 290, 2015
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8SKV
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7P1T
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![BU of 7p1t by Molmil](/molmil-images/mine/7p1t) | |
4ZSI
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![BU of 4zsi by Molmil](/molmil-images/mine/4zsi) | Crystal structure of the effector-binding domain of DasR (DasR-EBD) in complex with glucosamine-6-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, 2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose, ... | Authors: | Fillenberg, S.B, Koerner, S, Muller, Y.A. | Deposit date: | 2015-05-13 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors. Plos One, 11, 2016
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4ZTD
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![BU of 4ztd by Molmil](/molmil-images/mine/4ztd) | Crystal Structure of Human PCNA in complex with a TRAIP peptide | Descriptor: | ALA-GLY-ALA-GLY-ALA, ALA-PHE-GLN-ALA-LYS-LEU-ASP-THR-PHE-LEU-TRP-SER, Proliferating cell nuclear antigen | Authors: | Montoya, G, Mortuza, G.B, Blanco, F.J, Ibanez de Opakua, A. | Deposit date: | 2015-05-14 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | TRAIP is a PCNA-binding ubiquitin ligase that protects genome stability after replication stress. J.Cell Biol., 212, 2016
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4ZTC
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![BU of 4ztc by Molmil](/molmil-images/mine/4ztc) | PglE Aminotransferase in complex with External Aldimine, Mutant K184A | Descriptor: | Aminotransferase homolog, [(2R,3R,4R,5S,6R)-3-acetamido-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | Authors: | Riegert, A.S, Thoden, J.B, Young, N.M, Watson, D.C, Holden, H.M. | Deposit date: | 2015-05-14 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the external aldimine form of PglE, an aminotransferase required for N,N'-diacetylbacillosamine biosynthesis. Protein Sci., 24, 2015
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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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8SH2
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![BU of 8sh2 by Molmil](/molmil-images/mine/8sh2) | KLHDC2 in complex with EloB and EloC | Descriptor: | Elongin-B, Elongin-C, Kelch domain-containing protein 2 | Authors: | Digianantonio, K.M, Bekes, M. | Deposit date: | 2023-04-13 | Release date: | 2024-01-03 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Co-opting the E3 ligase KLHDC2 for targeted protein degradation by small molecules. Nat.Struct.Mol.Biol., 31, 2024
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8SQF
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![BU of 8sqf by Molmil](/molmil-images/mine/8sqf) | OXA-48 bound to inhibitor CDD-2725 | Descriptor: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2023-05-04 | Release date: | 2024-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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4ZV1
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4ZV2
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8SWK
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![BU of 8swk by Molmil](/molmil-images/mine/8swk) | Cryo-EM structure of NLRP3 closed hexamer | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | Deposit date: | 2023-05-18 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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8SXN
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![BU of 8sxn by Molmil](/molmil-images/mine/8sxn) | Structure of NLRP3 and NEK7 complex | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | Deposit date: | 2023-05-22 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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