PDB: 52540 resultsInfo pagesStatus searchChemie searchBIRD

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5FPA	Crystal structure of human KDM4D in complex with 3H,4H-pyrido-3,4-d- pyrimidin-4-one Descriptor: 3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ... Authors: Chung, C. Deposit date: 2015-11-27 Release date: 2016-01-27 Last modified: 2016-03-09 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives. J.Med.Chem., 59, 2016
5G08	Crystal structure of Drosophila NCS-1 bound to chlorpromazine Descriptor: 1,2-ETHANEDIOL, 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, ... Authors: Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J. Deposit date: 2016-03-17 Release date: 2017-01-25 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5OKP	Crystal structure of human SHIP2 Phosphatase-C2 double mutant F593D/L597D Descriptor: 1,2-ETHANEDIOL, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 Authors: Le Coq, J, Lietha, D. Deposit date: 2017-07-25 Release date: 2017-08-23 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural basis for interdomain communication in SHIP2 providing high phosphatase activity. Elife, 6, 2017
3WCJ	The complex structure of HsSQS wtih ligand,E5700 Descriptor: (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase Authors: Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. Deposit date: 2013-05-27 Release date: 2014-06-18 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
3WCF	The complex structure of HsSQS wtih ligand,BPH1218 Descriptor: Squalene synthase, hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate Authors: Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. Deposit date: 2013-05-27 Release date: 2014-06-18 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
5OKM	Crystal structure of human SHIP2 Phosphatase-C2 Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NITRATE ION, ... Authors: Le Coq, J, Lietha, D. Deposit date: 2017-07-25 Release date: 2017-08-23 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Structural basis for interdomain communication in SHIP2 providing high phosphatase activity. Elife, 6, 2017
5FP3	Cell penetrant inhibitors of the JMJD2 (KDM4) and JARID1 (KDM5) families of histone lysine demethylases Descriptor: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, BICINE, COBALT (II) ION, ... Authors: Chung, C. Deposit date: 2015-11-27 Release date: 2016-01-27 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives. J.Med.Chem., 59, 2016
5GZA	protein O-mannose kinase Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose, 4-METHYL-2H-CHROMEN-2-ONE, ADENOSINE-5'-DIPHOSPHATE, ... Authors: Xiao, J. Deposit date: 2016-09-27 Release date: 2016-12-07 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of protein O-mannose kinase reveals a unique active site architecture Elife, 5, 2016
2OD6	Crystal structure of a dimeric ferredoxin-like protein (jcvi_pep_1096682647733) from uncultured marine organism at 1.85 A resolution Descriptor: 1,2-ETHANEDIOL, 10-oxohexadecanoic acid, hypothetical protein Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2006-12-21 Release date: 2007-01-23 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of hypothetical protein (JCVI_PEP_1096682647733) from an environmental metagenome (unidentified marine microbe), Sorcerer II Global Ocean Sampling experiment at 1.85 A resolution To be published
5FP4	Crystal structure of human KDM4D in complex with 3-(4- phenylbutanamido)pyridine-4-carboxylic acid Descriptor: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ... Authors: Chung, C. Deposit date: 2015-11-27 Release date: 2016-01-27 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives. J.Med.Chem., 59, 2016
5FP9	Crystal structure of human KDM4D in complex with 3-aminopyridine-4- carboxylic acid Descriptor: 3-AMINOPYRIDINE-4-CARBOXYLIC ACID, COBALT (II) ION, GLYCEROL, ... Authors: Chung, C. Deposit date: 2015-11-27 Release date: 2016-01-27 Last modified: 2016-03-09 Method: X-RAY DIFFRACTION (2 Å) Cite: Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives. J.Med.Chem., 59, 2016
3ZXC	E69 deletion mutant single insulin-like growth factor binding domain protein (SIBD-1) from Cupiennius salei Descriptor: ACETATE ION, SINGLE INSULIN-LIKE GROWTH FACTOR-BINDING DOMAIN PROTEIN-1 Authors: Widmer, C, Baumann, U. Deposit date: 2011-08-09 Release date: 2012-06-06 Last modified: 2012-08-08 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structural and Biochemical Characterization of Native and Recombinant Single Insulin-Like Growth Factor-Binding Domain Protein (Sibd-1) from the Central American Hunting Spider Cupiennius Salei (Ctenidae). Proteins, 80, 2012
7W2P	Tudor domain of SMN in complex with a small molecule Descriptor: 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine, MAGNESIUM ION, Survival motor neuron protein, ... Authors: Li, W, Arrowsmith, C.H, Edwards, A.M, Liu, Y, Min, J. Deposit date: 2021-11-24 Release date: 2022-10-05 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.15 Å) Cite: A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
7W30	Tudor domain of SMN in complex with a small molecule Descriptor: 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION Authors: Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J. Deposit date: 2021-11-24 Release date: 2022-10-05 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
5FB7	Ligand binding domain 2 of Penicillium marneffei MP1 protein complexed with multiple arachidonic acids Descriptor: ARACHIDONIC ACID, Envelope glycoprotein Authors: Lam, W.H, Zhang, H, Hao, Q. Deposit date: 2015-12-14 Release date: 2016-12-14 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Talaromyces marneffei Mp1p Is a Virulence Factor that Binds and Sequesters a Key Proinflammatory Lipid to Dampen Host Innate Immune Response Cell Chem Biol, 24, 2017
5CNA	REFINED STRUCTURE OF CONCANAVALIN A COMPLEXED WITH ALPHA-METHYL-D-MANNOPYRANOSIDE AT 2.0 ANGSTROMS RESOLUTION AND COMPARISON WITH THE SACCHARIDE-FREE STRUCTURE Descriptor: CALCIUM ION, CHLORIDE ION, CONCANAVALIN A, ... Authors: Naismith, J.H, Emmerich, C, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Raftery, J, Kalb(Gilboa), A.J, Yariv, J. Deposit date: 1994-02-11 Release date: 1994-05-31 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Refined structure of concanavalin A complexed with methyl alpha-D-mannopyranoside at 2.0 A resolution and comparison with the saccharide-free structure. Acta Crystallogr.,Sect.D, 50, 1994
3ZJC	Crystal structure of GMPPNP-bound human GIMAP7 L100Q variant Descriptor: GTPASE IMAP FAMILY MEMBER 7, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Authors: Schwefel, D, Daumke, O. Deposit date: 2013-01-17 Release date: 2013-03-13 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.15 Å) Cite: Structural Insights Into the Mechanism of Gtpase Activation in the Gimap Family. Structure, 21, 2013
3WCG	The complex structure of TcSQS with ligand, BPH1344 Descriptor: Farnesyltransferase, putative, hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate Authors: Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. Deposit date: 2013-05-27 Release date: 2014-06-18 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
3WCA	The complex structure of TcSQS with ligand, FSPP Descriptor: Farnesyltransferase, putative, MAGNESIUM ION, ... Authors: Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Oldfield, E, Guo, R.T. Deposit date: 2013-05-26 Release date: 2014-06-18 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
3WQY	Crystal structure of Archaeoglobus fulgidus alanyl-tRNA synthetase in complex with wild-type tRNA(Ala) having G3.U70 Descriptor: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, Alanine--tRNA ligase, MAGNESIUM ION, ... Authors: Naganuma, M, Sekine, S, Yokoyama, S. Deposit date: 2014-02-05 Release date: 2014-06-18 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3.3 Å) Cite: The selective tRNA aminoacylation mechanism based on a single G.U pair Nature, 510, 2014
5EKI	Crystal Structure of Truncated CCL21 Descriptor: C-C motif chemokine 21, SULFATE ION Authors: Lewandowski, E.M, Smith, E.W, Chen, Y. Deposit date: 2015-11-03 Release date: 2016-10-05 Last modified: 2019-12-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystallographic Structure of Truncated CCL21 and the Putative Sulfotyrosine-Binding Site. Biochemistry, 55, 2016
3WQZ	Crystal structure of Archaeoglobus fulgidus alanyl-tRNA synthetase in complex with a tRNA(Ala) variant having A3.U70 Descriptor: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, Alanine--tRNA ligase, RNA (75-MER), ... Authors: Naganuma, M, Sekine, S, Yokoyama, S. Deposit date: 2014-02-05 Release date: 2014-06-18 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3.489 Å) Cite: The selective tRNA aminoacylation mechanism based on a single G.U pair Nature, 510, 2014
5EN8	Crystal structure of the N-terminal region of Smu1 Descriptor: SMU-1 Authors: Ulrich, A.K.C, Wahl, M.C. Deposit date: 2015-11-09 Release date: 2016-04-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Crystal structure of the N-terminal region of Smu1 to be published
3ZXB	Wild type single insulin-like growth factor binding domain protein (SIBD-1) from Cupiennius salei Descriptor: SINGLE INSULIN-LIKE GROWTH FACTOR-BINDING DOMAIN PROTEIN-1 Authors: Widmer, C, Baumann, U. Deposit date: 2011-08-09 Release date: 2012-06-06 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Structural and Biochemical Characterization of Native and Recombinant Single Insulin-Like Growth Factor-Binding Domain Protein (Sibd-1) from the Central American Hunting Spider Cupiennius Salei (Ctenidae). Proteins, 80, 2012
5BQG	Crystal Structure of mPGES-1 Bound to an Inhibitor Descriptor: 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... Authors: Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. Deposit date: 2015-05-29 Release date: 2016-04-13 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.436 Å) Cite: Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016

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