1XMA
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![BU of 1xma by Molmil](/molmil-images/mine/1xma) | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 | Descriptor: | MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION | Authors: | Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-10-01 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 To be published
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1XHL
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![BU of 1xhl by Molmil](/molmil-images/mine/1xhl) | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate | Descriptor: | 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ... | Authors: | Schormann, N, Karpova, E, Zhou, J, Zhang, Y, Symersky, J, Bunzel, R, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKInstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-20 | Release date: | 2004-09-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate To be Published
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6GOC
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![BU of 6goc by Molmil](/molmil-images/mine/6goc) | Methylesterase BT1017 | Descriptor: | DUF3826 domain-containing protein, ZINC ION | Authors: | Basle, A, Ndeh, D, Gilbert, H. | Deposit date: | 2018-06-01 | Release date: | 2019-06-19 | Last modified: | 2020-04-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterisation of a methylesterases essential for pectin rhamnogalacturonan II metabolism from the gut bacterium Bacteroides thetaiotaomicron to be published
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7QLB
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![BU of 7qlb by Molmil](/molmil-images/mine/7qlb) | SMYD3 in complex with fragment FL06268 | Descriptor: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-20 | Release date: | 2023-03-29 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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7QNU
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![BU of 7qnu by Molmil](/molmil-images/mine/7qnu) | SMYD3 in complex with fragment FL08619 | Descriptor: | BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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6H6F
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![BU of 6h6f by Molmil](/molmil-images/mine/6h6f) | PTC3 holotoxin complex from Photorhabdus luminiscens - Mutant TcC-D651A | Descriptor: | TcdA1, TcdB2,TccC3,TccC3 | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | Deposit date: | 2018-07-27 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller. Nature, 563, 2018
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7QNR
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![BU of 7qnr by Molmil](/molmil-images/mine/7qnr) | SMYD3 in complex with fragment FL01791 | Descriptor: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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6I7E
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![BU of 6i7e by Molmil](/molmil-images/mine/6i7e) | Plasmodium falciparum Myosin A, Pre-powerstroke | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-A, ... | Authors: | Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2018-11-16 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.492 Å) | Cite: | Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism. Nat Commun, 10, 2019
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1XAV
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![BU of 1xav by Molmil](/molmil-images/mine/1xav) | Major G-quadruplex structure formed in human c-MYC promoter, a monomeric parallel-stranded quadruplex | Descriptor: | 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3', POTASSIUM ION | Authors: | Ambrus, A, Chen, D, Dai, J, Jones, R.A, Yang, D. | Deposit date: | 2004-08-26 | Release date: | 2005-02-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the biologically relevant G-Quadruplex element in the human c-MYC promoter. Implications for G-quadruplex stabilization. Biochemistry, 44, 2005
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3FZW
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![BU of 3fzw by Molmil](/molmil-images/mine/3fzw) | Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin | Descriptor: | EQUILENIN, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Caaveiro, J.M.M, Ringe, D, Petsko, G.A. | Deposit date: | 2009-01-26 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Hydrogen bond coupling in the ketosteroid isomerase active site. Biochemistry, 48, 2009
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8QPR
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![BU of 8qpr by Molmil](/molmil-images/mine/8qpr) | SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG heavy chain - FAB, ... | Authors: | Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S. | Deposit date: | 2023-10-03 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted. Ebiomedicine, 100, 2024
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8QQ0
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![BU of 8qq0 by Molmil](/molmil-images/mine/8qq0) | SARS-CoV-2 S protein bound to neutralising antibody UZGENT_A3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S. | Deposit date: | 2023-10-03 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted. Ebiomedicine, 100, 2024
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1YRB
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![BU of 1yrb by Molmil](/molmil-images/mine/1yrb) | PAB0955 crystal structure : a GTPase in GDP and Mg bound form from Pyrococcus abyssi | Descriptor: | ATP(GTP)binding protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Gras, S, Carpentier, P, Armengaud, J, Housset, D. | Deposit date: | 2005-02-03 | Release date: | 2006-02-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into a new homodimeric self-activated GTPase family. Embo Rep., 8, 2007
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1YR8
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![BU of 1yr8 by Molmil](/molmil-images/mine/1yr8) | PAB0955 crystal structure : a GTPase in GTP bound form from Pyrococcus abyssi | Descriptor: | ATP(GTP)binding protein, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Gras, S, Carpentier, P, Armengaud, J, Housset, D. | Deposit date: | 2005-02-03 | Release date: | 2006-02-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into a new homodimeric self-activated GTPase family. Embo Rep., 8, 2007
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3BCP
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![BU of 3bcp by Molmil](/molmil-images/mine/3bcp) | Crystal Structure of The Swapped non covalent form of P19A/L28Q/N67D BS-RNase | Descriptor: | Seminal ribonuclease | Authors: | Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F. | Deposit date: | 2007-11-13 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme J.Mol.Biol., 376, 2008
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7N8I
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![BU of 7n8i by Molmil](/molmil-images/mine/7n8i) | |
5FBN
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![BU of 5fbn by Molmil](/molmil-images/mine/5fbn) | BTK kinase domain with inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
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5FXN
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![BU of 5fxn by Molmil](/molmil-images/mine/5fxn) | |
1K76
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![BU of 1k76 by Molmil](/molmil-images/mine/1k76) | Solution Structure of the C-terminal Sem-5 SH3 Domain (Minimized Average Structure) | Descriptor: | SEX MUSCLE ABNORMAL PROTEIN 5 | Authors: | Ferreon, J, Volk, D, Luxon, B, Gorenstein, D, Hilser, V. | Deposit date: | 2001-10-18 | Release date: | 2003-05-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble
of Sem-5 C-Terminal SH3 Domain Biochemistry, 42, 2003
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1K8X
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![BU of 1k8x by Molmil](/molmil-images/mine/1k8x) | Crystal Structure Of AlphaT183V Mutant Of Tryptophan Synthase From Salmonella Typhimurium | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ... | Authors: | Kulik, V, Weyand, M, Siedel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | Deposit date: | 2001-10-26 | Release date: | 2002-12-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | On the Role of AlphaThr183 in the Allosteric Regulation and Catalytic Mechanism of Tryptophan Synthase J.Mol.Biol., 324, 2002
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1YBX
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![BU of 1ybx by Molmil](/molmil-images/mine/1ybx) | Conserved hypothetical protein Cth-383 from Clostridium thermocellum | Descriptor: | Conserved hypothetical protein, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Chang, J, Zhao, M, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-21 | Release date: | 2005-02-01 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conserved hypothetical protein Cth-383 from Clostridium thermocellum To be published
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1Y80
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![BU of 1y80 by Molmil](/molmil-images/mine/1y80) | Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica | Descriptor: | CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE, Predicted cobalamin binding protein, UNKNOWN ATOM OR ION | Authors: | Liu, Z.-J, Fu, Z.-Q, Tempel, W, Das, A, Habel, J, Zhou, W, Chang, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Ljungdahl, L, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-10 | Release date: | 2005-01-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica To be published
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3OW9
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![BU of 3ow9 by Molmil](/molmil-images/mine/3ow9) | |
1Y6J
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![BU of 1y6j by Molmil](/molmil-images/mine/1y6j) | L-Lactate Dehydrogenase from Clostridium Thermocellum Cth-1135 | Descriptor: | L-lactate dehydrogenase | Authors: | Chen, L, Yang, H, Kataeva, I, Chen, L.R, Tempel, W, Lee, D, Habel, J, Zhou, W, Lin, D, Ljungdahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-06 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | L-Lactate Dehydrogenase from Clostridium Thermocellum Cth-1135 To be Published
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6HCL
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![BU of 6hcl by Molmil](/molmil-images/mine/6hcl) | Crystal structure of a MFS transporter with Ligand at 2.69 Angstroem resolution | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Major facilitator superfamily MFS_1, nonyl beta-D-glucopyranoside | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2018-08-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic basis of L-lactate transport in the SLC16 solute carrier family. Nat Commun, 10, 2019
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