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4YVY
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BU of 4yvy by Molmil
Crystal structure of human carbonic anhydrase II in complex with hydroxylamine-O-sulfonamide, a molecule incorporating two zinc-binding groups.
Descriptor: Carbonic anhydrase 2, ZINC ION, amino(aminooxy)sulfane dioxide
Authors:Di Fiore, A, De Simone, G.
Deposit date:2015-03-20
Release date:2016-03-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A VERSATILE ZINC-BINDING GROUP FOR CARBONIC ANHYDRASE INHIBITORS
To Be Published
1N1X
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BU of 1n1x by Molmil
Crystal Structure Analysis of the monomeric [S-carboxyamidomethyl-Cys31, S-carboxyamidomethyl-Cys32] Bovine seminal ribonuclease
Descriptor: Ribonuclease, seminal
Authors:Sica, F, Di Fiore, A, Zagari, A, Mazzarella, L.
Deposit date:2002-10-21
Release date:2003-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative
Proteins, 52, 2003
5JGH
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BU of 5jgh by Molmil
Crystal structure of the mitochondrial DNA packaging protein Abf2p in complex with DNA at 2.6 Angstrom resolution
Descriptor: ACETATE ION, ARS-binding factor 2, mitochondrial, ...
Authors:Chakraborty, A, Lyonnais, S, Sola, M.
Deposit date:2016-04-20
Release date:2017-02-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p.
Nucleic Acids Res., 45, 2017
7BVX
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BU of 7bvx by Molmil
Crystal structure of C-terminal fragment of pilus adhesin SpaC from Lactobacillus rhamnosus GG-Iodide soaked
Descriptor: IODIDE ION, Pilus assembly protein
Authors:Kant, A, Palva, A, von Ossowski, I, Krishnan, V.
Deposit date:2020-04-12
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Crystal structure of lactobacillar SpaC reveals an atypical five-domain pilus tip adhesin: Exposing its substrate-binding and assembly in SpaCBA pili.
J.Struct.Biol., 211, 2020
5NBA
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BU of 5nba by Molmil
Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
Descriptor: (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D
Authors:Mac Sweeney, A, Ostermann, N.
Deposit date:2017-03-01
Release date:2017-06-28
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
3P5X
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BU of 3p5x by Molmil
Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
8RJV
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BU of 8rjv by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication)
Descriptor: (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5
Authors:Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
Deposit date:2023-12-21
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
3OUT
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BU of 3out by Molmil
Crystal structure of glutamate racemase from Francisella tularensis subsp. tularensis SCHU S4 in complex with D-glutamate.
Descriptor: D-GLUTAMIC ACID, Glutamate racemase
Authors:Filippova, E.V, Wawrzak, Z, Onopriyenko, O, Kudriska, M, Edwards, A, Savchenko, A, Anderson, F.W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-15
Release date:2010-09-29
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of glutamate racemase from Francisella tularensis subsp. tularensis SCHU S4 in complex with D-glutamate.
To be Published
3CCN
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BU of 3ccn by Molmil
X-ray structure of c-Met with triazolopyridazine inhibitor.
Descriptor: 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor
Authors:Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F.
Deposit date:2008-02-26
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
6FXC
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BU of 6fxc by Molmil
The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Matzov, D, Aibara, S, Zimmerman, E, Bashan, A, Kidmose, R, Amunts, A, Yonath, A.
Deposit date:2018-03-08
Release date:2018-03-21
Last modified:2018-11-21
Method:ELECTRON MICROSCOPY (6.76 Å)
Cite:The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus.
Nat Commun, 8, 2017
1K7K
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BU of 1k7k by Molmil
crystal structure of RdgB- inosine triphosphate pyrophosphatase from E. coli
Descriptor: Hypothetical protein yggV
Authors:Sanishvili, R, Joachimiak, A, Edwards, A, Savchenko, A, Skarina, T, Midwest Center for Structural Genomics (MCSG)
Deposit date:2001-10-19
Release date:2002-08-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis of the antimutagenic activity of the house-cleaning inosine triphosphate pyrophosphatase RdgB from Escherichia coli.
J.Mol.Biol., 374, 2007
2NYR
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BU of 2nyr by Molmil
Crystal Structure of Human Sirtuin Homolog 5 in Complex with Suramin
Descriptor: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, NAD-dependent deacetylase sirtuin-5, ZINC ION
Authors:Min, J.R, Antoshenko, T, Allali-Hassani, A, Dong, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-11-21
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural basis of inhibition of the human NAD+-dependent deacetylase SIRT5 by suramin.
Structure, 15, 2007
3P9A
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BU of 3p9a by Molmil
An atomic view of the nonameric small terminase subunit of Bacteriophage P22
Descriptor: DNA-packaging protein gp3
Authors:Bhardwaj, A, Roy, A, Cingolani, G.
Deposit date:2010-10-17
Release date:2012-05-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Small terminase couples viral DNA binding to genome-packaging ATPase activity.
Structure, 20, 2012
4ET9
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BU of 4et9 by Molmil
Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETD
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BU of 4etd by Molmil
Lysozyme, room-temperature, rotating anode, 0.0026 MGy
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
1K8Z
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BU of 1k8z by Molmil
CRYSTAL STRUCTURE OF THE TRYPTOPHAN SYNTHASE BETA-SER178PRO MUTANT COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID
Descriptor: N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Weyand, M, Schlichting, I, Marabotti, A, Mozzarelli, A.
Deposit date:2001-10-26
Release date:2002-06-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the beta Ser178--> Pro mutant of tryptophan synthase. A "knock-out" allosteric enzyme.
J.Biol.Chem., 277, 2002
3OZ5
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BU of 3oz5 by Molmil
S-Methyl Carbocyclic LNA
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*(UMX)P*AP*CP*GP*C)-3'), SPERMINE
Authors:Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E.
Deposit date:2010-09-24
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA.
J.Am.Chem.Soc., 132, 2010
5DEA
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BU of 5dea by Molmil
Crystal structure of the complex between human FMRP RGG motif and G-quadruplex RNA, cesium bound form.
Descriptor: CESIUM ION, Fragile X mental retardation protein 1, POTASSIUM ION, ...
Authors:Vasilyev, N, Polonskaia, A, Darnell, J.C, Darnell, R.B, Patel, D.J, Serganov, A.
Deposit date:2015-08-25
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7973 Å)
Cite:Crystal structure reveals specific recognition of a G-quadruplex RNA by a beta-turn in the RGG motif of FMRP.
Proc.Natl.Acad.Sci.USA, 112, 2015
6ZSG
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BU of 6zsg by Molmil
Human mitochondrial ribosome in complex with mRNA, A-site tRNA, P-site tRNA and E-site tRNA
Descriptor: 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ...
Authors:Aibara, S, Singh, V, Modelska, A, Amunts, A.
Deposit date:2020-07-15
Release date:2020-10-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of mitochondrial translation.
Elife, 9, 2020
6MYV
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BU of 6myv by Molmil
Sialidase26 co-crystallized with DANA-Gc
Descriptor: 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid, Sialidase26
Authors:Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Huang, J, Siegel, D, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-11-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
3OO9
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BU of 3oo9 by Molmil
Crystal structures and biochemical characterization of the bacterial solute receptor AcbH reveal an unprecedented exclusive substrate preference for b-D-galactopyranose
Descriptor: ABC transporter binding protein AcbH, GLYCEROL, SULFATE ION
Authors:Vahedi-Faridi, A, Bulut, H, Licht, A.
Deposit date:2010-08-30
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structures of the bacterial solute receptor AcbH displaying an exclusive substrate preference for beta-D-galactopyranose
J.Mol.Biol., 406, 2011
3BRX
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BU of 3brx by Molmil
Crystal Structure of calcium-bound cotton annexin Gh1
Descriptor: Annexin, CALCIUM ION, PHOSPHATE ION
Authors:Hu, N.-J, Hofmann, A.
Deposit date:2007-12-21
Release date:2008-05-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of calcium-bound annexin Gh1 from Gossypium hirsutum and its implications for membrane binding mechanisms of plant annexins.
J.Biol.Chem., 283, 2008
4WW6
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BU of 4ww6 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-11-10
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
7PBG
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BU of 7pbg by Molmil
4-ethylphenol oxidase from Gulosibacter chungangensis: native structure
Descriptor: CHLORIDE ION, FAD-binding oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Alvigini, L, Mattevi, A.
Deposit date:2021-08-02
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery, Biocatalytic Exploration and Structural Analysis of a 4-Ethylphenol Oxidase from Gulosibacter chungangensis.
Chembiochem, 22, 2021
7PBI
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BU of 7pbi by Molmil
4-ethylphenol oxidase from Gulosibacter chungangensis: isoeugenol complex
Descriptor: FAD-binding oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, ISOEUGENOL
Authors:Alvigini, L, Mattevi, A.
Deposit date:2021-08-02
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery, Biocatalytic Exploration and Structural Analysis of a 4-Ethylphenol Oxidase from Gulosibacter chungangensis.
Chembiochem, 22, 2021

223790

数据于2024-08-14公开中

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