PDB: 245011 resultsInfo pagesStatus searchChemie searchBIRD

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7EUO	The structure of formyl peptide receptor 1 in complex with Gi and peptide agonist fMLF Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... Authors: Wang, X.K, Chen, G, Liao, Q.W, Du, Y, Hu, H.L, Ye, D.Q. Deposit date: 2021-05-18 Release date: 2022-05-25 Last modified: 2024-11-06 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Structural basis for recognition of N-formyl peptides as pathogen-associated molecular patterns. Nat Commun, 13, 2022
1BQO	DISCOVERY OF POTENT, ACHIRAL MATRIX METALLOPROTEINASE INHIBITORS Descriptor: 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, STROMELYSIN-1, ... Authors: Pikul, S, Dunham, K.L.M, Almstead, N.G, De, B, Natchus, M.G, Anastasio, M.V, Mcphail, S.J, Snider, C.E, Taiwo, Y.O, Rydel, T.J, Dunaway, C.M, Gu, F, Mieling, G.E. Deposit date: 1998-08-17 Release date: 1999-08-17 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Discovery of potent, achiral matrix metalloproteinase inhibitors. J.Med.Chem., 41, 1998
6VB5	HLA-B*15:02 complexed with a synthetic peptide Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... Authors: Schutte, R.J, Li, D, Ostrov, D.A. Deposit date: 2019-12-18 Release date: 2020-11-25 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.15 Å) Cite: HLA-B*15:02 complexed with a synthetic peptide To Be Published
5DR7	Endothiapepsin in complex with fragment 311 Descriptor: (2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one, ACETATE ION, Endothiapepsin, ... Authors: Heine, A, Schiebel, J, Klebe, G. Deposit date: 2015-09-15 Release date: 2016-09-28 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.234 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4OK5	Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid] Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid Authors: Padyana, A.K. Deposit date: 2014-01-21 Release date: 2014-03-05 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus. J.Med.Chem., 57, 2014
6G56	Apo-structure of the alanine racemase from Staphylococcus aureus Descriptor: Alanine racemase 1, GLYCEROL, SULFATE ION Authors: Hoegl, A, Sieber, S.A, Schneider, S. Deposit date: 2018-03-29 Release date: 2018-05-30 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Mining the cellular inventory of pyridoxal phosphate-dependent enzymes with functionalized cofactor mimics. Nat Chem, 10, 2018
5DSQ	Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming Descriptor: Carbonic anhydrase 2, GLYCEROL Authors: Kim, C.U, Park, S.Y, McKenna, R. Deposit date: 2015-09-17 Release date: 2016-05-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DJV	Crystal structure of human FPPS in complex with biaryl compound 8e Descriptor: 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase Authors: Rondeau, J.M, Bourgier, E, Lehmann, S. Deposit date: 2015-09-02 Release date: 2015-10-07 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
5DJR	Crystal structure of human FPPS in complex with biaryl compound 6 Descriptor: 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... Authors: Rondeau, J.M, Bourgier, E, Lehmann, S. Deposit date: 2015-09-02 Release date: 2015-09-30 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
1BQ3	SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE Descriptor: INOSITOL HEXAKISPHOSPHATE, PROTEIN (PHOSPHOGLYCERATE MUTASE 1), SULFATE ION Authors: Rigden, D.J, Phillips, S.E.V, Fothergill-Gilmore, L.A. Deposit date: 1998-08-20 Release date: 1998-08-26 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Polyanionic inhibitors of phosphoglycerate mutase: combined structural and biochemical analysis. J.Mol.Biol., 289, 1999
1BX7	HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.2 ANGSTROMS Descriptor: HIRUSTASIN, SULFATE ION Authors: Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E. Deposit date: 1998-10-14 Release date: 1999-04-27 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.2 Å) Cite: The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors. Structure Fold.Des., 7, 1999
4OYD	Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor Authors: Shen, B, Procko, E, Baker, D, Stoddard, B. Deposit date: 2014-02-11 Release date: 2014-07-09 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells. Cell, 157, 2014
1ZTL	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with N-[4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6H-pyrimidin-1-yl}-acetamide Descriptor: Coagulation factor XI, N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE, SULFATE ION Authors: Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J.E, Abdel-Meguid, S.S. Deposit date: 2005-05-27 Release date: 2006-05-09 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
1BVQ	THREE-DIMENSIONAL STRUCTURE OF 4-HYDROXYBENZOYL COA THIOESTERASE FROM PSEUDOMONAS SP. STRAIN CBS-3. Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PROTEIN (4-HYDROXYBENZOYL COA THIOESTERASE) Authors: Holden, H.M, Benning, M.M, Dunaway-Mariano, D. Deposit date: 1998-09-16 Release date: 1998-09-23 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: The three-dimensional structure of 4-hydroxybenzoyl-CoA thioesterase from Pseudomonas sp. Strain CBS-3. J.Biol.Chem., 273, 1998
4ZTN	Irak4-inhibitor co-structure Descriptor: 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one, Interleukin-1 receptor-associated kinase 4 Authors: Fischmann, T.O. Deposit date: 2015-05-14 Release date: 2015-09-02 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors. Acs Med.Chem.Lett., 6, 2015
9JGG	Solution structure of Murinotoxin-1 Descriptor: Murinotoxin-1 Authors: Lushpa, V.A, Kuzmenkov, A.I, Deyev, Y.A, Iunusova, V.A, Bocharov, E.V, Vassilevski, A.A. Deposit date: 2024-09-07 Release date: 2025-09-10 Last modified: 2025-10-29 Method: SOLUTION NMR Cite: Spider venom peptides with unique fold selectively block Shaker-type potassium channels. Cell.Mol.Life Sci., 82, 2025
5DXA	Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R460) Descriptor: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ... Authors: Boriack-Sjodin, P.A. Deposit date: 2015-09-23 Release date: 2015-11-25 Last modified: 2025-04-02 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates. Acs Chem.Biol., 11, 2016
4OOS	Crystal structure of P domain from norovirus strain NSW0514 Descriptor: 1,2-ETHANEDIOL, VP1 Authors: Singh, B.K, Hansman, G.S. Deposit date: 2014-02-04 Release date: 2014-12-17 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Human noroviruses' fondness for histo-blood group antigens. J.Virol., 89, 2015
4OQ3	Tetra-substituted imidazoles as a new class of inhibitors of the p53-MDM2 interaction Descriptor: 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid, E3 ubiquitin-protein ligase Mdm2 Authors: Kallen, J. Deposit date: 2014-02-07 Release date: 2014-04-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Tetra-substituted imidazoles as a new class of inhibitors of the p53-MDM2 interaction. Bioorg.Med.Chem.Lett., 24, 2014
1C2A	CRYSTAL STRUCTURE OF BARLEY BBI Descriptor: BOWMAN-BIRK TRYPSIN INHIBITOR Authors: Song, H.K, Kim, Y.S, Yang, J.K, Moon, J, Lee, J.Y, Suh, S.W. Deposit date: 1999-07-23 Release date: 1999-12-29 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of a 16 kDa double-headed Bowman-Birk trypsin inhibitor from barley seeds at 1.9 A resolution. J.Mol.Biol., 293, 1999
7U35	Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with ADP Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, UDP-N-acetylmuramoylalanine--D-glutamate ligase Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-02-25 Release date: 2022-03-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with ADP to be published
3L4U	Crystal complex of N-terminal Human Maltase-Glucoamylase with de-O-sulfonated kotalanol Descriptor: (2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Sim, L, Rose, D.R. Deposit date: 2009-12-21 Release date: 2010-02-09 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata. Biochemistry, 49, 2010
8TQM	Cryo-EM structure of E3 ubiquitin ligase Doa10 from Saccharomyces cerevisiae Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ERAD-associated E3 ubiquitin-protein ligase DOA10, ... Authors: Park, E, Itskanov, S.I. Deposit date: 2023-08-07 Release date: 2024-03-13 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Substrate recognition mechanism of the endoplasmic reticulum-associated ubiquitin ligase Doa10. Nat Commun, 15, 2024
5GNU	the structure of mini-MFN1 apo Descriptor: Mitofusin-1 Authors: Yan, L, Yu, C, Ming, Z, Lou, Z, Rao, Z, Lou, J. Deposit date: 2016-07-25 Release date: 2016-11-23 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (4.113 Å) Cite: BDLP-like folding of Mitofusin 1 To Be Published
9JNB	Crystal Structure of SME-1 E166A mutant in complex with imipenem Descriptor: Imipenem, beta-lactamase Authors: Dhankhar, K, Hazra, S. Deposit date: 2024-09-23 Release date: 2025-10-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of SME-1 E166A mutant in complex with imipenem To Be Published

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