6D13
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![BU of 6d13 by Molmil](/molmil-images/mine/6d13) | Crystal structure of E.coli RppH-DapF complex | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, IODIDE ION, ... | Authors: | Gao, A, Serganov, A. | Deposit date: | 2018-04-11 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF. Nucleic Acids Res., 46, 2018
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4B2R
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![BU of 4b2r by Molmil](/molmil-images/mine/4b2r) | Solution structure of CCP modules 10-11 of complement factor H | Descriptor: | COMPLEMENT FACTOR H | Authors: | Makou, E, Mertens, H.D.T, Maciejewski, M, Soares, D.C, Matis, I, Schmidt, C.Q, Herbert, A.P, Svergun, D.I, Barlow, P.N. | Deposit date: | 2012-07-17 | Release date: | 2012-10-10 | Last modified: | 2019-09-25 | Method: | SOLUTION NMR | Cite: | Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H. J.Mol.Biol., 424, 2012
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6WEO
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![BU of 6weo by Molmil](/molmil-images/mine/6weo) | IL-22 Signaling Complex with IL-22R1 and IL-10Rbeta | 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: | Saxton, R.A, Jude, K.M, Henneberg, L.T, Garcia, K.C. | Deposit date: | 2020-04-02 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The tissue protective functions of interleukin-22 can be decoupled from pro-inflammatory actions through structure-based design. Immunity, 54, 2021
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3GNU
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![BU of 3gnu by Molmil](/molmil-images/mine/3gnu) | Toxin fold as basis for microbial attack and plant defense | Descriptor: | 25 kDa protein elicitor, CHLORIDE ION, GUANIDINE | Authors: | Ottmann, C, Luberacki, B, Kuefner, I, Koch, W, Brunner, F, Weyand, M, Mattinen, L, Pirhonen, M, Anderluh, G, Seitz, H.U, Nuernberger, T, Oecking, C. | Deposit date: | 2009-03-18 | Release date: | 2009-06-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A common toxin fold mediates microbial attack and plant defense Proc.Natl.Acad.Sci.USA, 106, 2009
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3GNZ
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![BU of 3gnz by Molmil](/molmil-images/mine/3gnz) | Toxin fold for microbial attack and plant defense | Descriptor: | 25 kDa protein elicitor, MAGNESIUM ION | Authors: | Ottmann, C, Luberacki, B, Kuefner, I, Koch, W, Brunner, F, Weyand, M, Mattinen, L, Pirhonen, M, Anderluh, G, Seitz, H.U, Nuernberger, T, Oecking, C. | Deposit date: | 2009-03-18 | Release date: | 2009-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A common toxin fold mediates microbial attack and plant defense Proc.Natl.Acad.Sci.USA, 106, 2009
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3GWD
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![BU of 3gwd by Molmil](/molmil-images/mine/3gwd) | Closed crystal structure of cyclohexanone monooxygenase | Descriptor: | Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mirza, I.A, Yachnin, B.J, Berghuis, A.M. | Deposit date: | 2009-03-31 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of cyclohexanone monooxygenase reveal complex domain movements and a sliding cofactor J.Am.Chem.Soc., 131, 2009
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3ZD0
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![BU of 3zd0 by Molmil](/molmil-images/mine/3zd0) | The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release | Descriptor: | P7 PROTEIN | Authors: | Foster, T.L, Sthompson, G, Kalverda, A.P, Kankanala, J, Thompson, J, Barker, A.M, Clarke, D, Noerenberg, M, Pearson, A.R, Rowlands, D.J, Homans, S.W, Harris, M, Foster, R, Griffin, S.D.C. | Deposit date: | 2012-11-23 | Release date: | 2013-09-04 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure-Guided Design Affirms Inhibitors of Hepatitis C Virus P7 as a Viable Class of Antivirals Targeting Virion Release Hepatology, 59, 2014
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3ZU7
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3ZUV
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3GWF
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![BU of 3gwf by Molmil](/molmil-images/mine/3gwf) | Open crystal structure of cyclohexanone monooxygenase | Descriptor: | Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mirza, I.A, Yachnin, B.J, Berghuis, A.M. | Deposit date: | 2009-04-01 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of cyclohexanone monooxygenase reveal complex domain movements and a sliding cofactor J.Am.Chem.Soc., 131, 2009
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4BS2
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![BU of 4bs2 by Molmil](/molmil-images/mine/4bs2) | NMR structure of human TDP-43 tandem RRMs in complex with UG-rich RNA | Descriptor: | 5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3', TAR DNA-BINDING PROTEIN 43 | Authors: | Lukavsky, P.J, Daujotyte, D, Tollervey, J.R, Ule, J, Stuani, C, Buratti, E, Baralle, F.E, Damberger, F.F, Allain, F.H.T. | Deposit date: | 2013-06-06 | Release date: | 2013-11-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Molecular Basis of Ug-Rich RNA Recognition by the Human Splicing Factor Tdp-43 Nat.Struct.Mol.Biol., 20, 2013
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1SKL
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![BU of 1skl by Molmil](/molmil-images/mine/1skl) | Structure of the antimicrobial hexapeptide cyc-(RRNalNalRF) bound to DPC micelles | Descriptor: | cyclic hexapeptide RR(NAL)(NAL)RF | Authors: | Appelt, C, Soderhall, J.A, Bienert, M, Dathe, M, Schmieder, P. | Deposit date: | 2004-03-05 | Release date: | 2005-03-15 | Last modified: | 2012-12-12 | Method: | SOLUTION NMR | Cite: | Structure of the antimicrobial, cationic hexapeptide cyclo(RRWWRF) and its analogues in solution and bound to detergent micelles. Chembiochem, 6, 2005
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4Q02
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![BU of 4q02 by Molmil](/molmil-images/mine/4q02) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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6RF4
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![BU of 6rf4 by Molmil](/molmil-images/mine/6rf4) | Crystal structure of the potassium-pumping S254A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | Deposit date: | 2019-04-12 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
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6RF3
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![BU of 6rf3 by Molmil](/molmil-images/mine/6rf3) | Crystal structure of the potassium-pumping G263F mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, SODIUM ION, ... | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | Deposit date: | 2019-04-12 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
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8UFN
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![BU of 8ufn by Molmil](/molmil-images/mine/8ufn) | |
8UR9
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![BU of 8ur9 by Molmil](/molmil-images/mine/8ur9) | Crystal Structure of the SARS-CoV-2 Main Protease in Complex with Compound 61 | Descriptor: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | Authors: | Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-10-25 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid. Proc.Natl.Acad.Sci.USA, 121, 2024
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8UFO
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2R5T
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![BU of 2r5t by Molmil](/molmil-images/mine/2r5t) | Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G. | Deposit date: | 2007-09-04 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP. Protein Sci., 16, 2007
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4Q03
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![BU of 4q03 by Molmil](/molmil-images/mine/4q03) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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2RAB
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![BU of 2rab by Molmil](/molmil-images/mine/2rab) | Structure of glutathione amide reductase from Chromatium gracile in complex with NAD | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NICKEL (II) ION, ... | Authors: | Van Petegem, F, De Vos, D, Savvides, S, Vergauwen, B, Van Beeumen, J. | Deposit date: | 2007-09-14 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Understanding nicotinamide dinucleotide cofactor and substrate specificity in class I flavoprotein disulfide oxidoreductases: crystallographic analysis of a glutathione amide reductase. J.Mol.Biol., 374, 2007
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2R9Z
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![BU of 2r9z by Molmil](/molmil-images/mine/2r9z) | Glutathione amide reductase from Chromatium gracile | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Glutathione amide reductase, ... | Authors: | Van Petegem, F, Vergauwen, B, Savvides, S, De Vos, D, Van Beeumen, J. | Deposit date: | 2007-09-14 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Understanding nicotinamide dinucleotide cofactor and substrate specificity in class I flavoprotein disulfide oxidoreductases: crystallographic analysis of a glutathione amide reductase. J.Mol.Biol., 374, 2007
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3T4G
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![BU of 3t4g by Molmil](/molmil-images/mine/3t4g) | AIIGLMV segment from Alzheimer's Amyloid-Beta displayed on 54-membered macrocycle scaffold | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide (ORN)AIIGLMV(ORN)KF(HAO)(4BF)K | Authors: | Zhao, M, Liu, C, Cheng, P.N, Eisenberg, D, Nowick, J.S. | Deposit date: | 2011-07-26 | Release date: | 2012-10-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Amyloid beta-sheet mimics that antagonize protein aggregation and reduce amyloid toxicity. Nat Chem, 4, 2012
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4PZY
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![BU of 4pzy by Molmil](/molmil-images/mine/4pzy) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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2RKQ
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![BU of 2rkq by Molmil](/molmil-images/mine/2rkq) | |