3LHJ
 
 | | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor. | | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide | | Authors: | Mohr, C, Jordan, S. | | Deposit date: | 2010-01-22 | | Release date: | 2010-04-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.
J.Med.Chem., 53, 2010
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1ZMF
 | | C domain of human cyclophilin-33(hcyp33) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase E | | Authors: | Wang, T, Yun, C.-H, Gu, S.-Y, Chang, W.-R, Liang, D.-C. | | Deposit date: | 2005-05-10 | | Release date: | 2005-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 1.88A crystal structure of the C domain of hCyP33: A novel domain of peptidyl-prolyl cis-trans isomerase
Biochem.Biophys.Res.Commun., 333, 2005
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3BUF
 | | BACE-1 complexed with compound 2 | | Descriptor: | 4-[(2R)-2-aminopropyl]phenol, Beta-secretase 1 | | Authors: | Kuglstatter, A, Hennig, M. | | Deposit date: | 2008-01-02 | | Release date: | 2008-03-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
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2P4I
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3BUG
 | | BACE-1 complexed with compound 3 | | Descriptor: | 4-(2-aminoethyl)-2-ethylphenol, BETA-SECRETASE 1 | | Authors: | Kuglstatter, A, Hennig, M. | | Deposit date: | 2008-01-02 | | Release date: | 2008-03-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
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3OJM
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2QJH
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2GAG
 | | Heteroteterameric sarcosine: structure of a diflavin metaloenzyme at 1.85 a resolution | | Descriptor: | 2-FUROIC ACID, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Chen, Z.W, Hassan-Abdulah, A, Zhao, G, Jorns, M.S, Mathews, F.S. | | Deposit date: | 2006-03-08 | | Release date: | 2006-08-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Heterotetrameric sarcosine oxidase: structure of a diflavin metalloenzyme at 1.85 a resolution.
J.Mol.Biol., 360, 2006
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2QVD
 | | Identification of a potent anti-inflammatory agent from the natural extract of plant Cardiospermun helicacabum: Crystal structure of the complex of phospholipase A2 with Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy at 1.93 A resolution | | Descriptor: | BERBERINE, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Kumar, S, Chandra, D.N, Singh, N, Jithesh, O, Sharma, S, Haridas, M, Singh, T.P. | | Deposit date: | 2007-08-08 | | Release date: | 2007-08-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Identification of a novel and potent inhibitor of phospholipase A(2) in a medicinal plant: crystal structure at 1.93A and Surface Plasmon Resonance analysis of phospholipase A(2) complexed with berberine
Biochim.Biophys.Acta, 1814, 2011
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7WR8
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1PI7
 | | Structure of the channel-forming trans-membrane domain of Virus protein "u" (Vpu) from HIV-1 | | Descriptor: | VPU protein | | Authors: | Park, S.H, Mrse, A.A, Nevzorov, A.A, Mesleh, M.F, Oblatt-Montal, M, Montal, M, Opella, S.J. | | Deposit date: | 2003-05-29 | | Release date: | 2003-11-11 | | Last modified: | 2024-05-22 | | Method: | SOLID-STATE NMR | | Cite: | Three-dimensional structure of the channel-forming trans-membrane domain of virus protein "u" (Vpu) from HIV-1
J.Mol.Biol., 333, 2003
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1BHP
 | | STRUCTURE OF BETA-PUROTHIONIN AT ROOM TEMPERATURE AND 1.7 ANGSTROMS RESOLUTION | | Descriptor: | ACETATE ION, BETA-PUROTHIONIN, GLYCEROL, ... | | Authors: | Teeter, M.M, Stec, B, Rao, U. | | Deposit date: | 1995-03-15 | | Release date: | 1996-03-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Refinement of purothionins reveals solute particles important for lattice formation and toxicity. Part 2: structure of beta-purothionin at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
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1AXB
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3U2T
 | | Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese | | Descriptor: | 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION | | Authors: | Chaikuad, A, Froese, D.S, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-10-04 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3TV1
 | | Crystal structure of RtcA.AMP product complex | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Chakravarty, A.K, Smith, P, Shuman, S. | | Deposit date: | 2011-09-19 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of RNA 3'-phosphate cyclase bound to ATP reveal the mechanism of nucleotidyl transfer and metal-assisted catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3CYY
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3U1N
 | | Structure of the catalytic core of human SAMHD1 | | Descriptor: | PHOSPHATE ION, SAM domain and HD domain-containing protein 1, ZINC ION | | Authors: | Goldstone, D.C, Ennis-Adeniran, V, Walker, P.A, Haire, L.F, Webb, M, Taylor, I.A. | | Deposit date: | 2011-09-30 | | Release date: | 2011-11-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Nature, 480, 2011
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9CU5
 | | LJF-085 Fab in complex with HIV Env JRFL NFL TD CC3+ trimer and 35O22 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 heavy chain Fv, ... | | Authors: | Ozorowski, G, Ward, A.B. | | Deposit date: | 2024-07-25 | | Release date: | 2025-05-21 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Vaccination of nonhuman primates elicits a broadly neutralizing antibody lineage targeting a quaternary epitope on the HIV-1 Env trimer.
Immunity, 58, 2025
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3CVP
 | | Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to PTS1 peptide (10-SKL) | | Descriptor: | 10-SKL PTS1 peptide Ac-GTLSNRASKL, Peroxisome targeting signal 1 receptor PEX5 | | Authors: | Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J. | | Deposit date: | 2008-04-18 | | Release date: | 2008-06-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
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5W5G
 | | Structure of Human Sts-1 histidine phosphatase domain | | Descriptor: | Ubiquitin-associated and SH3 domain-containing protein B | | Authors: | Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B. | | Deposit date: | 2017-06-15 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
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3KSP
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3D5U
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2MG2
 | | NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol | | Descriptor: | Transmembrane protein gp41 | | Authors: | Serrano, S, Apellaniz, B, Huarte, N.L, Nieva, J.L, Jimenez, M.A. | | Deposit date: | 2013-10-24 | | Release date: | 2015-03-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Atomic Structure of the HIV-1 gp41 Transmembrane Domain and Its Connection to the Immunogenic Membrane-proximal External Region.
J.Biol.Chem., 290, 2015
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3D7B
 | | The Ribonuclease A- 5'-Deoxy-5'-N-pyrrolidinouridine complex | | Descriptor: | 1-(5-deoxy-5-pyrrolidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic | | Authors: | Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-05-21 | | Release date: | 2009-02-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
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4BE0
 | | PFV intasome with inhibitor XZ-115 | | Descriptor: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2012-10-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
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