3CIH
 
 | | Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative alpha-rhamnosidase | | Authors: | Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-11 | | Release date: | 2008-04-01 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron.
To be Published
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2FGV
 | | X-ray crystal structure of HIV-1 Protease T80N variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity. | | Descriptor: | (2S)-2-amino-3-phenylpropane-1,1-diol, 2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, ASPARAGINE, ... | | Authors: | Foulkes, J.E, Prabu-Jeyabalan, M, Cooper, D, Schiffer, C.A. | | Deposit date: | 2005-12-22 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity.
J.Virol., 80, 2006
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4CHE
 | | Crystal structure of the putative cap-binding domain of the PB2 subunit of Thogoto virus polymerase | | Descriptor: | POLYMERASE BASIC PROTEIN 2 | | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | | Deposit date: | 2013-12-01 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains.
Plos One, 9, 2014
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2K8Y
 | | Solution NMR Structure of Cgi121 from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MJ0187 | | Descriptor: | Uncharacterized protein MJ0187 | | Authors: | Rumpel, S, Fares, C, Neculai, D, Arrowsmith, C, Montelione, G.T, Sicheri, F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-09-25 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
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2FHC
 | | Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with maltotriose | | Descriptor: | Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D. | | Deposit date: | 2005-12-23 | | Release date: | 2006-06-13 | | Last modified: | 2022-03-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
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3CVA
 | | Human Bcl-xL containing a Trp to Ala mutation at position 137 | | Descriptor: | Apoptosis regulator Bcl-X | | Authors: | Feng, Y, Zhang, L, Hu, T, Shen, X, Chen, K, Jiang, H, Liu, D. | | Deposit date: | 2008-04-18 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A conserved hydrophobic core at Bcl-x(L) mediates its structural stability and binding affinity with BH3-domain peptide of pro-apoptotic protein
Arch.Biochem.Biophys., 484, 2009
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4CSS
 | | Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside | | Descriptor: | 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH | | Authors: | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | | Deposit date: | 2014-03-10 | | Release date: | 2015-02-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.069 Å) | | Cite: | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
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6CY7
 | | Human Stimulator of Interferon Genes | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GLYCEROL, IMIDAZOLE, ... | | Authors: | Fernandez, D, Li, L, Ergun, S.L. | | Deposit date: | 2018-04-04 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition.
Cell, 178, 2019
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3CVZ
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3AAS
 | | Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate | | Descriptor: | (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Iyaguchi, D, Kawano, S, Toyota, E. | | Deposit date: | 2009-11-26 | | Release date: | 2010-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
Bioorg.Med.Chem., 18, 2010
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3X1O
 | | Crystal structure of the ROQ domain of human Roquin | | Descriptor: | IODIDE ION, Roquin-1 | | Authors: | Ose, T, Verma, A, Cockburn, J.B, Berrow, N.S, Alderton, D, Stuart, D, Owens, R.J, Jones, E.Y. | | Deposit date: | 2014-11-26 | | Release date: | 2015-03-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Roquin binds microRNA-146a and Argonaute2 to regulate microRNA homeostasis
Nat Commun, 6, 2015
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3AEJ
 | | Reaction intermediate structure of Entamoeba histolytica methionine gamma-lyase 1 tetramer containing Michaelis complex and methionine-pyridoxal-5'-phosphate | | Descriptor: | GLYCEROL, METHIONINE, Methionine gamma-lyase, ... | | Authors: | Karaki, T, Sato, D, Shimizu, A, Nozaki, T, Harada, S. | | Deposit date: | 2010-02-10 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of Entamoeba histolytica methionine gamma-lyase 1
To be Published
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6D1W
 | | human PKD2 F604P mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2 | | Authors: | Zheng, W, Yang, X, Bulkley, D, Chen, X.Z, Cao, E. | | Deposit date: | 2018-04-12 | | Release date: | 2018-06-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Hydrophobic pore gates regulate ion permeation in polycystic kidney disease 2 and 2L1 channels.
Nat Commun, 9, 2018
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2EZ5
 | | Solution Structure of the dNedd4 WW3* Domain- Comm LPSY Peptide Complex | | Descriptor: | Commissureless LPSY Peptide, E3 ubiquitin-protein ligase NEDD4 | | Authors: | Kanelis, V, Bruce, M.C, Skrynnikov, N.R, Rotin, D, Forman-Kay, J.D. | | Deposit date: | 2005-11-10 | | Release date: | 2006-03-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Determinants for High-Affinity Binding in a Nedd4 WW3(*) Domain-Comm PY Motif Complex
Structure, 14, 2006
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4CGS
 | | Crystal structure of the N-terminal domain of the PA subunit of Dhori virus polymerase | | Descriptor: | GLYCEROL, POLYMERASE SUBUNIT PA | | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | | Deposit date: | 2013-11-26 | | Release date: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains.
Plos One, 9, 2014
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2FH6
 | | Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with glucose | | Descriptor: | Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose | | Authors: | Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D. | | Deposit date: | 2005-12-23 | | Release date: | 2006-06-13 | | Last modified: | 2022-03-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
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2FIP
 | | Phage phi29 transcription regulator p4 | | Descriptor: | Late genes activator | | Authors: | Badia, D, Camacho, A, Perez-Lago, L, Escandon, C, Salas, M, Coll, M. | | Deposit date: | 2005-12-30 | | Release date: | 2006-09-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of phage phi29 transcription regulator p4-DNA complex reveals an N-hook motif for DNA
Mol.Cell, 22, 2006
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2FCA
 | | The structure of BsTrmB | | Descriptor: | POTASSIUM ION, tRNA (guanine-N(7)-)-methyltransferase | | Authors: | Zegers, I, Van Vliet, F, Bujnicki, J, Kosinski, J, Gigot, D, Droogmans, L. | | Deposit date: | 2005-12-12 | | Release date: | 2006-08-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of Bacillus subtilis TrmB, the tRNA (m7G46) methyltransferase.
Nucleic Acids Res., 34, 2006
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2FCJ
 | | Structure of small TOPRIM domain protein from Bacillus stearothermophilus. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, SULFATE ION, ... | | Authors: | Rezacova, P, Chen, Y, Borek, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-12-12 | | Release date: | 2006-01-24 | | Last modified: | 2012-10-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure and putative function of small Toprim domain-containing protein from Bacillus stearothermophilus.
Proteins, 70, 2008
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2FD9
 | | X-ray Crystal Structure of Chemically Synthesized Crambin-{alpha}carboxamide | | Descriptor: | Crambin | | Authors: | Bang, D, Tereshko, V, Kossiakoff, A.A, Kent, S.B. | | Deposit date: | 2005-12-13 | | Release date: | 2007-01-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Role of a salt bridge in the model protein crambin explored by chemical protein synthesis: X-ray structure of a unique protein analogue, [V15A]crambin-alpha-carboxamide.
Mol Biosyst, 5, 2009
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2FGU
 | | X-ray crystal structure of HIV-1 Protease T80S variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity. | | Descriptor: | (2S)-2-amino-3-phenylpropane-1,1-diol, 2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, ASPARAGINE, ... | | Authors: | Foulkes, J.E, Prabu-Jeyabalan, M, Cooper, D, Schiffer, C.A. | | Deposit date: | 2005-12-22 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity.
J.Virol., 80, 2006
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4IXR
 | | RT fs X-ray diffraction of Photosystem II, first illuminated state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J. | | Deposit date: | 2013-01-27 | | Release date: | 2013-02-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (5.9 Å) | | Cite: | Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature.
Science, 340, 2013
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5VOS
 | | VGSNKGAIIGL from Amyloid Beta determined by MicroED | | Descriptor: | Amyloid beta A4 protein | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S, Griner, S.L, Gonen, T. | | Deposit date: | 2017-05-03 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.42 Å) | | Cite: | Common fibrillar spines of amyloid-beta and human islet amyloid polypeptide revealed by microelectron diffraction and structure-based inhibitors.
J. Biol. Chem., 293, 2018
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3AGQ
 | | Structure of viral polymerase form II | | Descriptor: | Elongation factor Ts, Elongation factor Tu 1, LINKER, ... | | Authors: | Takeshita, D, Tomita, K. | | Deposit date: | 2010-04-06 | | Release date: | 2010-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Assembly of Q{beta} viral RNA polymerase with host translational elongation factors EF-Tu and -Ts
Proc.Natl.Acad.Sci.USA, 107, 2010
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3AI8
 | | Cathepsin B in complex with the nitroxoline | | Descriptor: | 5-nitroquinolin-8-ol, Cathepsin B | | Authors: | Renko, M, Mirkovic, B, Gobec, S, Kos, J, Turk, D. | | Deposit date: | 2010-05-11 | | Release date: | 2011-05-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Novel mechanism of cathepsin B inhibition by antibiotic nitroxoline and related compounds
Chemmedchem, 6, 2011
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