2IFZ
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![BU of 2ifz by Molmil](/molmil-images/mine/2ifz) | Lys6 Variant of ImI Conotoxin | Descriptor: | Alpha-conotoxin ImI | Authors: | Kini, R.M, Kang, T.S. | Deposit date: | 2006-09-22 | Release date: | 2007-08-14 | Last modified: | 2020-06-24 | Method: | SOLUTION NMR | Cite: | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins Biochemistry, 46, 2007
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2IHW
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![BU of 2ihw by Molmil](/molmil-images/mine/2ihw) | Crystal structure of a cubic core of the dihydrolipoamide acyltransferase (E2b) component in the branched-chain alpha-ketoacid dehydrogenase complex (BCKDC), apo form | Descriptor: | ACETATE ION, CHLORIDE ION, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Brautigam, C.A, Custorio, M, Chuang, D.T. | Deposit date: | 2006-09-27 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A synchronized substrate-gating mechanism revealed by cubic-core structure of the bovine branched-chain alpha-ketoacid dehydrogenase complex. Embo J., 25, 2006
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2IS9
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![BU of 2is9 by Molmil](/molmil-images/mine/2is9) | Structure of yeast DCN-1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Defective in cullin neddylation protein 1, ... | Authors: | Yang, X, Zhou, J, Sun, L, Wei, Z, Gao, J, Gong, W, Xu, R.M, Rao, Z, Liu, Y. | Deposit date: | 2006-10-16 | Release date: | 2007-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis for the function of DCN-1 in protein Neddylation. J.Biol.Chem., 282, 2007
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5IU7
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![BU of 5iu7 by Molmil](/molmil-images/mine/5iu7) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12c at 1.9A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ... | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | Deposit date: | 2016-03-17 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. J.Med.Chem., 59, 2016
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7SI6
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![BU of 7si6 by Molmil](/molmil-images/mine/7si6) | Structure of ATP7B in state 1 | Descriptor: | MAGNESIUM ION, P-type Cu(+) transporter, TETRAFLUOROALUMINATE ION | Authors: | Bitter, R.M, Oh, S.C, Hite, R.K, Yuan, P. | Deposit date: | 2021-10-12 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Structure of the Wilson disease copper transporter ATP7B. Sci Adv, 8, 2022
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7SI7
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![BU of 7si7 by Molmil](/molmil-images/mine/7si7) | Structure of ATP7B in state 2 | Descriptor: | MAGNESIUM ION, P-type Cu(+) transporter, TETRAFLUOROALUMINATE ION | Authors: | Bitter, R.M, Oh, S.C, Hite, R.K, Yuan, P. | Deposit date: | 2021-10-12 | Release date: | 2022-03-16 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structure of the Wilson disease copper transporter ATP7B. Sci Adv, 8, 2022
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2IH7
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![BU of 2ih7 by Molmil](/molmil-images/mine/2ih7) | Amidated Pro6 Analogue of CMrVIA conotoxin | Descriptor: | Lambda-conotoxin CMrVIA | Authors: | Kini, R.M, Kang, T.S. | Deposit date: | 2006-09-26 | Release date: | 2007-08-14 | Last modified: | 2020-06-24 | Method: | SOLUTION NMR | Cite: | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins Biochemistry, 46, 2007
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7SI3
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![BU of 7si3 by Molmil](/molmil-images/mine/7si3) | Consensus structure of ATP7B | Descriptor: | MAGNESIUM ION, P-type Cu(+) transporter, TETRAFLUOROALUMINATE ION | Authors: | Bitter, R.M, Oh, S.C, Hite, R.K, Yuan, P. | Deposit date: | 2021-10-12 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structure of the Wilson disease copper transporter ATP7B. Sci Adv, 8, 2022
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4DE8
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![BU of 4de8 by Molmil](/molmil-images/mine/4de8) | LytR-Cps2a-Psr family protein with bound octaprenyl monophosphate lipid | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate, Cps2A, DI(HYDROXYETHYL)ETHER | Authors: | Eberhardt, A, Hoyland, C.N, Vollmer, D.V, Bisle, S, Cleverley, R.M, Johnsborg, O, Havarstein, L.S, Lewis, R.J, Vollmer, W. | Deposit date: | 2012-01-20 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Attachment of Capsular Polysaccharide to the Cell Wall in Streptococcus pneumoniae. Microb Drug Resist, 18, 2012
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2H3K
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![BU of 2h3k by Molmil](/molmil-images/mine/2h3k) | Solution Structure of the first NEAT domain of IsdH | Descriptor: | Haptoglobin-binding surface anchored protein | Authors: | Pilpa, R.M, Fadeev, E.A, Villareal, V.A, Wong, M.A, Phillips, M, Clubb, R.T. | Deposit date: | 2006-05-22 | Release date: | 2006-08-22 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of the NEAT (NEAr Transporter) domain from IsdH/HarA: the human hemoglobin receptor in Staphylococcus aureus. J.Mol.Biol., 360, 2006
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4JG6
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![BU of 4jg6 by Molmil](/molmil-images/mine/4jg6) | RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide | Descriptor: | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | Deposit date: | 2013-02-28 | Release date: | 2013-04-10 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors. J.Am.Chem.Soc., 135, 2013
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4TRJ
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![BU of 4trj by Molmil](/molmil-images/mine/4trj) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints | Descriptor: | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-06-17 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4IAO
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![BU of 4iao by Molmil](/molmil-images/mine/4iao) | Crystal structure of Sir2 C543S mutant in complex with SID domain of Sir4 | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent histone deacetylase SIR2, Regulatory protein SIR4, ... | Authors: | Hsu, H.C, Wang, C.L, Wang, M, Yang, N, Chen, Z, Sternglanz, R, Xu, R.M. | Deposit date: | 2012-12-07 | Release date: | 2012-12-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structural basis for allosteric stimulation of Sir2 activity by Sir4 binding Genes Dev., 27, 2013
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4F37
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![BU of 4f37 by Molmil](/molmil-images/mine/4f37) | Structure of the tethered N-terminus of Alzheimer's disease A peptide | Descriptor: | Colicin-E7 immunity protein, Fab WO2 anti-amyloid-beta antibody Fab fragment, Im7 immunity protein | Authors: | Nisbet, R.M, Nuttall, S.D, Caine, J.M, Rober, R, Hittaki, M, Pearce, L.A, Davydova, N, Masters, C.L, Varghese, J.N, Streltsov, V.A. | Deposit date: | 2012-05-09 | Release date: | 2013-05-15 | Last modified: | 2014-09-03 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural studies of the tethered N-terminus of the Alzheimer's disease amyloid-beta peptide. Proteins, 81, 2013
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4WUY
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![BU of 4wuy by Molmil](/molmil-images/mine/4wuy) | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | Deposit date: | 2014-11-04 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem., 290, 2015
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4JUK
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![BU of 4juk by Molmil](/molmil-images/mine/4juk) | Crystal structure of H5N1 influenza virus hemagglutinin, clade 2.3.2.1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7502 Å) | Cite: | To be published To be Published
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4JUN
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![BU of 4jun by Molmil](/molmil-images/mine/4jun) | Crystal structure of H5N1 influenza virus hemagglutinin, clade 5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3398 Å) | Cite: | To be published To be Published
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4JUL
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![BU of 4jul by Molmil](/molmil-images/mine/4jul) | Crystal structure of H5N1 influenza virus hemagglutinin, clade 2.3.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7927 Å) | Cite: | To be published To be Published
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4FGT
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![BU of 4fgt by Molmil](/molmil-images/mine/4fgt) | Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation of the enzyme. | Descriptor: | CG peptide, SULFATE ION, Thymidylate synthase | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | Deposit date: | 2012-06-04 | Release date: | 2013-03-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides. J.Med.Chem., 58, 2015
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4J6E
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![BU of 4j6e by Molmil](/molmil-images/mine/4j6e) | Structure of LPXI D225A Mutant | Descriptor: | (2R,3R,4R,5S,6R)-2-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3R)-3-hydroxytetradecanoyl]amino}tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate, UDP-2,3-diacylglucosamine pyrophosphatase LpxI | Authors: | Metzger IV, L.E, Lee, J.K, Finer-Moore, J.S, Raetz, C.R.H, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2013-02-11 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | LpxI structures reveal how a lipid A precursor is synthesized. Nat.Struct.Mol.Biol., 19, 2012
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7TCU
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![BU of 7tcu by Molmil](/molmil-images/mine/7tcu) | Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus trichosporium OB3b at 2.31 Angstrom resolution | Descriptor: | FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ... | Authors: | Park, Y, Reyes, R.M, Rosenzweig, A.C. | Deposit date: | 2021-12-28 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A mixed-valent Fe(II)Fe(III) species converts cysteine to an oxazolone/thioamide pair in methanobactin biosynthesis. Proc.Natl.Acad.Sci.USA, 119, 2022
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4ZL7
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![BU of 4zl7 by Molmil](/molmil-images/mine/4zl7) | Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal I | Descriptor: | HEXAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | Authors: | McMahon, R.M, Martin, J.L. | Deposit date: | 2015-05-01 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4C0T
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![BU of 4c0t by Molmil](/molmil-images/mine/4c0t) | |
5J8H
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![BU of 5j8h by Molmil](/molmil-images/mine/5j8h) | Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent kinase | Descriptor: | CALCIUM ION, Calmodulin, Eukaryotic elongation factor 2 kinase | Authors: | Alphonse, S, Lee, K, Piserchio, A, Tavares, C.D.J, Giles, D.H, Wellmann, R.M, Dalby, K.N, Ghose, R. | Deposit date: | 2016-04-07 | Release date: | 2016-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for the Recognition of Eukaryotic Elongation Factor 2 Kinase by Calmodulin. Structure, 24, 2016
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4BXW
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![BU of 4bxw by Molmil](/molmil-images/mine/4bxw) | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis | Descriptor: | COAGULATION FACTOR V, FACTOR XA, GLYCEROL, ... | Authors: | Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A. | Deposit date: | 2013-07-16 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis. Blood, 122, 2013
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