PDB: 245396 件ウェブページステータス検索Chemie searchBIRD

---

6G34	Crystal structure of haspin in complex with 5-iodotubercidin 分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, IODIDE ION, ... 著者 Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2018-03-24 公開日 2018-04-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
6G38	Crystal structure of haspin in complex with tubercidin 分子名称: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... 著者 Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2018-03-24 公開日 2018-04-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
5AKE	ligand complex structure of soluble epoxide hydrolase 分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Oster, L, Tapani, S, Xue, Y, Kack, H. 登録日 2015-03-03 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
2SFP	ALANINE RACEMASE WITH BOUND PROPIONATE INHIBITOR 分子名称: PROPANOIC ACID, PROTEIN (ALANINE RACEMASE), PYRIDOXAL-5'-PHOSPHATE 著者 Morollo, A.A, Petsko, G.A, Ringe, D. 登録日 1999-02-16 公開日 1999-02-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure of a Michaelis complex analogue: propionate binds in the substrate carboxylate site of alanine racemase. Biochemistry, 38, 1999
6FUM	F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101 分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Human F11 T-Cell Receptor alpha chain, ... 著者 Rizkallah, P.J, Cole, D.K. 登録日 2018-02-27 公開日 2018-04-18 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility. Front Immunol, 9, 2018
3JSF	Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution 分子名称: 7-(2-fluorobenzyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION 著者 Mclean, L, Zhang, Y. 登録日 2009-09-10 公開日 2009-11-10 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening. Bioorg.Med.Chem.Lett., 19, 2009
7D9U	Structure of human soluble guanylate cyclase in the cinciguat-bound activated state 分子名称: 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid, Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, ... 著者 Chen, L, Liu, R, Kang, Y. 登録日 2020-10-14 公開日 2021-08-11 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Activation mechanism of human soluble guanylate cyclase by stimulators and activators. Nat Commun, 12, 2021
4I8D	Crystal Structure of Beta-D-glucoside glucohydrolase from Trichoderma reesei 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucoside glucohydrolase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Helmich, K.E, Banerjee, G, Bianchetti, C.M, Gudmundsson, M, Sandgren, M, Walton, J.D, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) 登録日 2012-12-03 公開日 2012-12-19 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Biochemical Characterization and Crystal Structures of a Fungal Family 3 beta-Glucosidase, Cel3A from Hypocrea jecorina. J.Biol.Chem., 289, 2014
4OHK	Human GKRP bound to AMG-2526 and S6P 分子名称: (2R)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... 著者 Jordan, S.R, Chmait, S. 登録日 2014-01-17 公開日 2014-10-08 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series. J.Med.Chem., 57, 2014
4ZY1	X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r 分子名称: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide, ... 著者 Drinkwater, N, McGowan, S. 登録日 2015-05-21 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions. Eur.J.Med.Chem., 110, 2016
7BQ4	X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization 分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, ... 著者 Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. 登録日 2020-03-23 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
3K8O	Crystal structure of human purine nucleoside phosphorylase in complex with DATMe-ImmH 分子名称: 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE, Purine nucleoside phosphorylase, SULFATE ION 著者 Ho, M, Rinaldo-matthis, A, Almo, S.C, Schramm, V.L. 登録日 2009-10-14 公開日 2010-03-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of human purine nucleoside phosphorylase in complex with DATMe-Immucillin H Proc.Natl.Acad.Sci.USA, 2010
7JMQ	The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... 著者 Hilario, E, Dunn, M.F, Mueller, L.J. 登録日 2020-08-02 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The external aldimine form of mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
4ZY5	Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17 分子名称: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ... 著者 Rouge, L, Wang, W. 登録日 2015-05-21 公開日 2015-07-01 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors. J.Med.Chem., 58, 2015
5DGS	Crystal structure of human FPPS in complex with the monophosphonate compound 15 分子名称: Farnesyl pyrophosphate synthase, {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid 著者 Rondeau, J.M, Bourgier, E, Lehmann, S. 登録日 2015-08-28 公開日 2016-07-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 A General Strategy for Targeting Drugs to Bone. Angew.Chem.Int.Ed.Engl., 54, 2015
5TLB	Scabin toxin from Streptomyces scabies in complex with NADH 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Scabin 著者 Lyons, B, Dutta, D, Ravulapalli, R, Merrill, A.R. 登録日 2016-10-10 公開日 2017-10-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Characterization of the catalytic signature of Scabin toxin, a DNA-targeting ADP-ribosyltransferase. Biochem. J., 475, 2018
6G4R	Corynebacterium glutamicum OxyR C206S mutant, H2O2-bound 分子名称: 1,2-ETHANEDIOL, HYDROGEN PEROXIDE, Hydrogen peroxide-inducible genes activator, ... 著者 Young, D.R, Pedre, B.P, Messens, J.M. 登録日 2018-03-28 公開日 2018-12-05 最終更新日 2025-04-09 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7C23	Crystal structure of CrmE10, a SGNH-hydrolase family esterase 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... 著者 Li, Z, Li, J. 登録日 2020-05-07 公開日 2020-05-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
3LU6	Human serum albumin in complex with compound 1 分子名称: Serum albumin, [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid 著者 Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H. 登録日 2010-02-17 公開日 2010-10-27 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions Bioorg.Med.Chem., 18, 2010
5CRZ	Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ... 著者 Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. 登録日 2015-07-23 公開日 2016-01-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
6LPV	structure of Spermidine hydroxycinnamoyl transferases from Arabidopsis thaliana 分子名称: COENZYME A, SPERMIDINE, Spermidine hydroxycinnamoyl transferase 著者 Wang, C.Y, Zhang, P. 登録日 2020-01-12 公開日 2021-01-13 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.297 Å) 主引用文献 Structural and Biochemical Insights Into Two BAHD Acyltransferases ( At SHT and At SDT) Involved in Phenolamide Biosynthesis. Front Plant Sci, 11, 2020
7JTT	The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... 著者 Hilario, E, Dunn, M.F, Mueller, L.J. 登録日 2020-08-18 公開日 2021-08-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex F9 inhibitor at the alpha-site and cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
4ABH	Fragments bound to bovine trypsin for the SAMPL challenge 分子名称: 1,2-ETHANEDIOL, 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE, CALCIUM ION, ... 著者 Newman, J, Peat, T.S. 登録日 2011-12-08 公開日 2012-02-08 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
4MWW	Shanghai N9-oseltamivir carboxylate 分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Wu, Y, Qi, J.X, Gao, F, Gao, G.F. 登録日 2013-09-25 公開日 2013-11-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
2SOB	SN-OB, OB-FOLD SUB-DOMAIN OF STAPHYLOCOCCAL NUCLEASE, NMR, 10 STRUCTURES 分子名称: STAPHYLOCOCCAL NUCLEASE 著者 Alexandrescu, A.T, Gittis, A.G, Abeygunawardana, C, Shortle, D. 登録日 1995-09-15 公開日 1995-12-07 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 NMR structure of a stable "OB-fold" sub-domain isolated from staphylococcal nuclease. J.Mol.Biol., 250, 1995

<2211221222132214221522162217221822192220222122222223222422252226>