1VK1
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![BU of 1vk1 by Molmil](/molmil-images/mine/1vk1) | Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001 | Descriptor: | Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-04-13 | Release date: | 2004-08-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | (NZ)CH...O contacts assist crystallization of a ParB-like nuclease. Bmc Struct.Biol., 7, 2007
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2LTH
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![BU of 2lth by Molmil](/molmil-images/mine/2lth) | NMR structure of major ampullate spidroin 1 N-terminal domain at pH 5.5 | Descriptor: | Major ampullate spidroin 1 | Authors: | Otikovs, M, Jaudzems, K, Nordling, K, Landreh, M, Rising, A, Askarieh, G, Knight, S, Johansson, J. | Deposit date: | 2012-05-25 | Release date: | 2013-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Sequential pH-driven dimerization and stabilization of the N-terminal domain enables rapid spider silk formation. Nat Commun, 5, 2014
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5XBH
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![BU of 5xbh by Molmil](/molmil-images/mine/5xbh) | |
7JI3
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![BU of 7ji3 by Molmil](/molmil-images/mine/7ji3) | |
3QIA
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![BU of 3qia by Molmil](/molmil-images/mine/3qia) | Crystal structure of P-loop G237A mutant of subunit A of the A1AO ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | Authors: | Ragunathan, P, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G. | Deposit date: | 2011-01-26 | Release date: | 2011-10-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance. J.Mol.Biol., 413, 2011
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5X7J
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![BU of 5x7j by Molmil](/molmil-images/mine/5x7j) | Crystal structure of thymidylate kinase from thermus thermophilus HB8 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | Deposit date: | 2017-02-27 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Insights into product release dynamics through structural analyses of thymidylate kinase. Int. J. Biol. Macromol., 123, 2019
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5XB5
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![BU of 5xb5 by Molmil](/molmil-images/mine/5xb5) | |
5XAI
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![BU of 5xai by Molmil](/molmil-images/mine/5xai) | |
5XB2
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![BU of 5xb2 by Molmil](/molmil-images/mine/5xb2) | ADP-Mg-F-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FLUORIDE ION, MAGNESIUM ION, ... | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K. | Deposit date: | 2017-03-15 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.161 Å) | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
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3QJY
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![BU of 3qjy by Molmil](/molmil-images/mine/3qjy) | Crystal structure of P-loop G234A mutant of subunit A of the A1AO ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | Authors: | Ragunathan, P, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G. | Deposit date: | 2011-01-31 | Release date: | 2011-10-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance. J.Mol.Biol., 413, 2011
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2M80
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![BU of 2m80 by Molmil](/molmil-images/mine/2m80) | Solution structure of yeast dithiol glutaredoxin Grx8 | Descriptor: | Glutaredoxin-8 | Authors: | Tang, Y, Zhang, J, Yu, J, Wu, J, Zhou, C.Z, Shi, Y. | Deposit date: | 2013-05-02 | Release date: | 2014-05-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure-guided activity enhancement and catalytic mechanism of yeast grx8 Biochemistry, 53, 2014
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1OMC
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![BU of 1omc by Molmil](/molmil-images/mine/1omc) | SOLUTION STRUCTURE OF OMEGA-CONOTOXIN GVIA USING 2-D NMR SPECTROSCOPY AND RELAXATION MATRIX ANALYSIS | Descriptor: | OMEGA-CONOTOXIN GVIA | Authors: | Davis, J.H, Bradley, E.K, Miljanich, G.P, Nadasdi, L, Ramachandran, J, Basus, V.J. | Deposit date: | 1993-04-28 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure of omega-conotoxin GVIA using 2-D NMR spectroscopy and relaxation matrix analysis. Biochemistry, 32, 1993
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1UE7
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![BU of 1ue7 by Molmil](/molmil-images/mine/1ue7) | Crystal structure of the single-stranded dna-binding protein from mycobacterium tuberculosis | Descriptor: | Single-strand binding protein | Authors: | Saikrishnan, K, Jeyakanthan, J, Venkatesh, J, Acharya, N, Sekar, K, Varshney, U, Vijayan, M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-05-09 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Mycobacterium tuberculosis single-stranded DNA-binding protein. Variability in quaternary structure and its implications J.MOL.BIOL., 331, 2003
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3IKJ
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![BU of 3ikj by Molmil](/molmil-images/mine/3ikj) | Structural characterization for the nucleotide binding ability of subunit A mutant S238A of the A1AO ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, V-type ATP synthase alpha chain | Authors: | Kumar, A, Manimekali, M.S.S, Balakrishna, A.M, Jeyakanthan, J, Gruber, G. | Deposit date: | 2009-08-06 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution. J.Mol.Biol., 396, 2010
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6GJ6
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![BU of 6gj6 by Molmil](/molmil-images/mine/6gj6) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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1XK9
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![BU of 1xk9 by Molmil](/molmil-images/mine/1xk9) | Pseudomanas exotoxin A in complex with the PJ34 inhibitor | Descriptor: | Exotoxin A, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | Authors: | Yates, S.P, Taylor, P.J, Joergensen, R, Ferrraris, D, Zhang, J, Andersen, G.R, Merrill, A.R. | Deposit date: | 2004-09-28 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-function analysis of water-soluble inhibitors of the catalytic domain of exotoxin A from Pseudomonas aeruginosa BIOCHEM.J., 385, 2005
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1YX8
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![BU of 1yx8 by Molmil](/molmil-images/mine/1yx8) | NMR structure of Calsensin, 20 low energy structures. | Descriptor: | Calsensin | Authors: | Venkitaramani, D.V, Fulton, D.B, Andreotti, A.H, Johansen, K.M, Johansen, J. | Deposit date: | 2005-02-19 | Release date: | 2005-04-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of Calsensin, an invertebrate neuronal calcium-binding protein. Protein Sci., 14, 2005
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1UE5
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![BU of 1ue5 by Molmil](/molmil-images/mine/1ue5) | Crystal structure of the single-stranded dna-binding protein from mycobacterium tuberculosis | Descriptor: | CADMIUM ION, Single-strand binding protein | Authors: | Saikrishnan, K, Jeyakanthan, J, Venkatesh, J, Acharya, N, Sekar, K, Varshney, U, Vijayan, M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-05-09 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Mycobacterium tuberculosis single-stranded DNA-binding protein. Variability in quaternary structure and its implications J.MOL.BIOL., 331, 2003
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7JYC
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![BU of 7jyc by Molmil](/molmil-images/mine/7jyc) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-08-30 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K3T
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![BU of 7k3t by Molmil](/molmil-images/mine/7k3t) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-13 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K6D
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![BU of 7k6d by Molmil](/molmil-images/mine/7k6d) | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-19 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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1UE6
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![BU of 1ue6 by Molmil](/molmil-images/mine/1ue6) | Crystal structure of the single-stranded dna-binding protein from mycobacterium tuberculosis | Descriptor: | Single-strand binding protein | Authors: | Saikrishnan, K, Jeyakanthan, J, Venkatesh, J, Acharya, N, Sekar, K, Varshney, U, Vijayan, M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-05-09 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Mycobacterium tuberculosis single-stranded DNA-binding protein. Variability in quaternary structure and its implications J.MOL.BIOL., 331, 2003
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3JQK
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![BU of 3jqk by Molmil](/molmil-images/mine/3jqk) | Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 (H32 FORM) | Descriptor: | ACETATE ION, Molybdenum cofactor biosynthesis protein C, PHOSPHATE ION | Authors: | Kanaujia, S.P, Jeyakanthan, J, Nakagawa, N, Sekar, K, Baba, S, Chen, L, Liu, Z.-J, Wang, B.-C, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-09-07 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of apo and GTP-bound molybdenum cofactor biosynthesis protein MoaC from Thermus thermophilus HB8 Acta Crystallogr.,Sect.D, 66, 2010
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3JB9
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![BU of 3jb9 by Molmil](/molmil-images/mine/3jb9) | Cryo-EM structure of the yeast spliceosome at 3.6 angstrom resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Yan, C, Hang, J, Wan, R, Huang, M, Wong, C, Shi, Y. | Deposit date: | 2015-08-09 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of a yeast spliceosome at 3.6-angstrom resolution Science, 349, 2015
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5YMR
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![BU of 5ymr by Molmil](/molmil-images/mine/5ymr) | The Crystal Structure of IseG | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | Deposit date: | 2017-10-22 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria. Nat Commun, 10, 2019
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