PDB: 36840 resultsInfo pagesStatus searchChemie searchBIRD

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7OCL	K1K1, a potent recombinant minimal hepatocyte growth factor/scatter factor mimic Descriptor: Hepatocyte growth factor alpha chain,Hepatocyte growth factor alpha chain Authors: de Jonge, H, de Nola, G, Gherardi, E. Deposit date: 2021-04-27 Release date: 2021-07-21 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Dimerization of kringle 1 domain from hepatocyte growth factor/scatter factor provides a potent MET receptor agonist. Life Sci Alliance, 5, 2022
4UQH	Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. Descriptor: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... Authors: Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. Deposit date: 2014-06-23 Release date: 2014-08-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.43 Å) Cite: 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
4W9A	Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2 Descriptor: Gamma-crystallin B Authors: Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. Deposit date: 2014-08-27 Release date: 2015-09-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Two synonymous gene variants encode proteins with identical sequence, but different folding conformations. To Be Published
3BP2	ROLE OF THE N-TERMINUS IN THE INTERACTION OF PANCREATIC PHOSPHOLIPASE A2 WITH AGGREGATED SUBSTRATES. PROPERTIES AND CRYSTAL STRUCTURE OF TRANSAMINATED PHOSPHOLIPASE A2 Descriptor: CALCIUM ION, PHOSPHOLIPASE A2 Authors: Dijkstra, B.W, Drenth, J. Deposit date: 1983-06-27 Release date: 1983-09-15 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Role of the N-terminus in the interaction of pancreatic phospholipase A2 with aggregated substrates. Properties and crystal structure of transaminated phospholipase A2 Biochemistry, 23, 1984
3BOM	Crystal structure of trout hemoglobin at 1.35 Angstrom resolution Descriptor: 1,2-ETHANEDIOL, Hemoglobin subunit alpha-4, Hemoglobin subunit beta-4, ... Authors: Aranda IV, R, Bingman, C.A, Bitto, E, Wesenberg, G.E, Richards, M, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) Deposit date: 2007-12-17 Release date: 2008-01-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Trout Hemoglobin Crystal Structure at 1.35 Angstroms Resolution. To be Published
3BPZ	HCN2-I 443-460 E502K in the presence of cAMP Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 Authors: Craven, K.B, Olivier, N.B, Zagotta, W.N. Deposit date: 2007-12-19 Release date: 2008-03-25 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.65 Å) Cite: C-terminal movement during gating in cyclic nucleotide-modulated channels. J.Biol.Chem., 283, 2008
3BQM	LFA-1 I domain bound to inhibitors Descriptor: 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline, Integrin alpha-L Authors: Silvian, L.F. Deposit date: 2007-12-20 Release date: 2008-08-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors Bioorg.Med.Chem.Lett., 18, 2008
3BS9	X-ray structure of human TIA-1 RRM2 Descriptor: IODIDE ION, Nucleolysin TIA-1 isoform p40 Authors: Kumar, A.O, Kielkopf, C.L. Deposit date: 2007-12-22 Release date: 2008-01-15 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure of the central RNA recognition motif of human TIA-1 at 1.95A resolution. Biochem.Biophys.Res.Commun., 367, 2008
3BVB	Cystal structure of HIV-1 Active Site Mutant D25N and inhibitor Darunavir Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... Authors: Liu, F, Weber, I.T. Deposit date: 2008-01-05 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease. J.Biol.Chem., 283, 2008
8CI7	Apo-crystal structure of a wild-type South African HIV-1 subtype C protease at 2.4 angstrom Descriptor: Truncated pol polyprotein Authors: Dlamini, N.P, Pandian, R, Onisuru, O, Achilonu, I.A, Sayed, Y. Deposit date: 2023-02-09 Release date: 2023-04-12 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Biophysical and biochemical characterization of a wild-type South African HIV-1 subtype C protease To Be Published
4W4X	JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide Descriptor: 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 Authors: Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. Deposit date: 2014-08-15 Release date: 2015-02-11 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
8CS0	Crystal structure of alien DNA CTSZZPBSBSZPPBAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase Descriptor: DNA (5'-D(*CP*TP*(JSP)P*(1W5)P*(1W5)P*(1WA)P*(IGU)P*(JSP))-3'), DNA (5'-D(P*(IGU)P*(JSP)P*(1W5)P*(1WA)P*(1WA)P*(IGU)P*AP*G)-3'), reverse transcriptase Authors: Georgiadis, M.M. Deposit date: 2022-05-12 Release date: 2023-05-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Alien DNA visualized at high resolution in A- and B-forms To Be Published
8C6P	Fragment screening hit I bound to endothiapepsin Descriptor: 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL Authors: Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. Deposit date: 2023-01-12 Release date: 2023-05-24 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
8C6Q	Fragment screening hit II bound to endothiapepsin Descriptor: 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL Authors: Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. Deposit date: 2023-01-12 Release date: 2023-05-24 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
8C71	Pyrrolidine fragment 5b bound to endothiapepsin Descriptor: (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL Authors: Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. Deposit date: 2023-01-12 Release date: 2023-05-24 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
8C72	Pyrrolidine fragment 10b bound to endothiapepsin Descriptor: (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL Authors: Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. Deposit date: 2023-01-12 Release date: 2023-05-24 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
8C70	Pyrrolidine fragment 1 bound to endothiapepsin Descriptor: (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin Authors: Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. Deposit date: 2023-01-12 Release date: 2023-05-24 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
8C74	Pyrrolidine fragment 10d bound to endothiapepsin Descriptor: (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL Authors: Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. Deposit date: 2023-01-12 Release date: 2023-05-24 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
8C6S	Fragment screening hit III bound to endothiapepsin Descriptor: 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL Authors: Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. Deposit date: 2023-01-12 Release date: 2023-05-24 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
8C6T	Fragment screening hit IV bound to endothiapepsin Descriptor: 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL Authors: Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. Deposit date: 2023-01-12 Release date: 2023-05-24 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
3BVA	Cystal structure of HIV-1 Active Site Mutant D25N and p2-NC analog inhibitor Descriptor: GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, Protease (Retropepsin) Authors: Liu, F, Weber, I.T. Deposit date: 2008-01-05 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease. J.Biol.Chem., 283, 2008
4V0O	Crystal structure of BBS1N in complex with ARL6DN, soaked with lead Descriptor: ARF-LIKE SMALL GTPASE, BARDET-BIEDL SYNDROME 1 PROTEIN, GUANOSINE-5'-TRIPHOSPHATE, ... Authors: Mourao, A, Lorentzen, E. Deposit date: 2014-09-17 Release date: 2014-11-19 Last modified: 2019-04-03 Method: X-RAY DIFFRACTION (3.351 Å) Cite: Structural Basis for Membrane Targeting of the Bbsome by Arl6 Nat.Struct.Mol.Biol., 21, 2014
3C13	Low pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2 Descriptor: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, CHLORIDE ION, Casein kinase II subunit alpha Authors: Niefind, K, Raaf, J, Issinger, O.-G. Deposit date: 2008-01-22 Release date: 2008-02-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.95 Å) Cite: The Catalytic Subunit of Human Protein Kinase CK2 Structurally Deviates from Its Maize Homologue in Complex with the Nucleotide Competitive Inhibitor Emodin J.Mol.Biol., 377, 2008
3BWD	Crystal structure of the plant Rho protein ROP5 Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rac-like GTP-binding protein ARAC6 Authors: Thomas, C, Berken, A. Deposit date: 2008-01-09 Release date: 2008-03-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Crystal structure of the plant Rho protein ROP5 To be Published
4VGC	GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX Descriptor: D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION Authors: Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. Deposit date: 1997-05-01 Release date: 1997-11-12 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998

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