PDB: 224004 件ウェブページステータス検索Chemie searchBIRD

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3UWI	Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... 著者 Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. 登録日 2011-12-02 公開日 2012-12-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
4OYS	CRYSTAL STRUCTURE OF VPS34 IN COMPLEX WITH SAR405. 分子名称: (8S)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3, SULFATE ION 著者 Mathieu, M, Marquette, J.p. 登録日 2014-02-13 公開日 2014-10-22 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 A highly potent and selective Vps34 inhibitor alters vesicle trafficking and autophagy. Nat.Chem.Biol., 10, 2014
3UMK	X-ray structure of the E2 domain of the human amyloid precursor protein (APP) in complex with copper 分子名称: ACETATE ION, Amyloid beta A4 protein, CADMIUM ION, ... 著者 Dahms, S.O, Konnig, I, Roeser, D, Guhrs, K.H, Than, M.E. 登録日 2011-11-13 公開日 2012-01-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain. J.Mol.Biol., 416, 2012
3UWO	Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation 分子名称: 3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide, Thymidylate kinase 著者 Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. 登録日 2011-12-02 公開日 2012-02-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation. J.Med.Chem., 55, 2012
3UWZ	Crystal structure of Staphylococcus aureus triosephosphate isomerase complexed with glycerol-2-phosphate 分子名称: 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, Triosephosphate isomerase 著者 Mukherjee, S, Roychowdhury, A, Dutta, D, Das, A.K. 登録日 2011-12-03 公開日 2012-10-17 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop Biochimie, 94, 2012
4OZ0	Crystal structure of human CAPERalpha U2AF homology motif (apo-state) 分子名称: CHLORIDE ION, RNA-binding protein 39 著者 Loerch, S, Kielkopf, C.L. 登録日 2014-02-13 公開日 2014-05-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Cancer-relevant splicing factor CAPER alpha engages the essential splicing factor SF3b155 in a specific ternary complex. J.Biol.Chem., 289, 2014
4ODP	Structure of SlyD delta-IF from Thermus thermophilus in complex with S2-W23A peptide 分子名称: 30S ribosomal protein S2, CALCIUM ION, CHLORIDE ION, ... 著者 Quistgaard, E.M, Low, C, Nordlund, P. 登録日 2014-01-10 公開日 2015-01-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.747 Å) 主引用文献 Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD. BMC Biol., 14, 2016
4G5R	Structure of LGN GL4/Galphai3 complex 分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. 登録日 2012-07-18 公開日 2012-09-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (3.481 Å) 主引用文献 Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins To be Published
4OZE	A.aolicus LpxC in complex with native product 分子名称: CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ... 著者 Olivier, N.B. 登録日 2014-02-15 公開日 2014-08-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Mechanistic insight from the crystal structure of A.aolicus LpxC in the presence of product To Be Published
3UN4	Yeast 20S proteasome in complex with PR-957 (morpholine) 分子名称: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, Proteasome component C1, Proteasome component C11, ... 著者 Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. 登録日 2011-11-15 公開日 2012-02-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity. Cell(Cambridge,Mass.), 148, 2012
3UXL	P. putida mandelate racemase co-crystallized with the intermediate analogue cupferron 分子名称: 1-hydroxy-2-oxo-1-phenylhydrazine, MAGNESIUM ION, Mandelate racemase 著者 Lietzan, A.D, Pellmann, E, St Maurice, M. 登録日 2011-12-05 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.201 Å) 主引用文献 Structure of mandelate racemase with bound intermediate analogues benzohydroxamate and cupferron. Biochemistry, 51, 2012
4OZT	crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (PonA crystal) 分子名称: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone receptor, N-ETHYLMALEIMIDE, ... 著者 Ren, B, Peat, T.S, Streltsov, V.A, Pollard, M, Fernley, R, Grusovin, J, Seabrook, S, Pilling, P, Phan, T, Lu, L, Lovrecz, G.O, Graham, L.D, Hill, R.J. 登録日 2014-02-19 公開日 2014-07-30 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Unprecedented conformational flexibility revealed in the ligand-binding domains of the Bovicola ovis ecdysone receptor (EcR) and ultraspiracle (USP) subunits. Acta Crystallogr.,Sect.D, 70, 2014
3UPE	Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 分子名称: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, CALCIUM ION, Cationic trypsin, ... 著者 Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. 登録日 2011-11-18 公開日 2012-11-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
2QST	Crystal structure of the V39C mutant of the N-terminal domain of carcinoembryonic antigen (CEA) 分子名称: Carcinoembryonic antigen-related cell adhesion molecule 5 著者 Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E. 登録日 2007-07-31 公開日 2008-01-01 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation. Mol.Microbiol., 67, 2008
4OF3	Crystal Structure of SYG-1 D1-D2, Glycosylated 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Protein SYG-1, isoform b, ... 著者 Ozkan, E, Garcia, K.C. 登録日 2014-01-14 公開日 2014-02-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis. Cell(Cambridge,Mass.), 156, 2014
4OFT	C- Orthorombic NaGST1 分子名称: Glutathione S-transferase-1 著者 Asojo, O.A. 登録日 2014-01-15 公開日 2014-12-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure of glutathione S-transferase 1 from the major human hookworm parasite Necator americanus (Na-GST-1) in complex with glutathione. Acta Crystallogr F Struct Biol Commun, 70, 2014
4OZZ	Crystal Structure of the periplasmic alginate epimerase AlgG T265N T268M double mutant 分子名称: Poly(beta-D-mannuronate) C5 epimerase 著者 Howell, P.L, Wolfram, F, Robinson, H. 登録日 2014-02-19 公開日 2015-03-04 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal Structure of the periplasmic alginate epimerase AlgG T265N T268M double mutant To be published
3UPJ	HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 PROTEASE MUTANT WITH LYS 57 REPLACED BY LEU (K57L) COMPLEX WITH U096333 [4-HYDROXY-3-[1-(PHENYL)PROPYL]-7-METHOXYCOUMARIN] 分子名称: 4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE, HIV-2 PROTEASE 著者 Watenpaugh, K.D, Mulichak, A.M, Janakiraman, M.N. 登録日 1996-03-04 公開日 1996-10-14 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors. J.Med.Chem., 38, 1995
3V09	Crystal structure of Rabbit Serum Albumin 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Majorek, K.A, Porebski, P.J, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2011-12-07 公開日 2012-01-18 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structural and immunologic characterization of bovine, horse, and rabbit serum albumins. Mol.Immunol., 52, 2012
4OG4	Human menin with bound inhibitor MIV-3S 分子名称: 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. 登録日 2014-01-15 公開日 2014-03-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
4P0A	Crystal structure of HOIP PUB domain in complex with p97 PIM 分子名称: E3 ubiquitin-protein ligase RNF31, Transitional endoplasmic reticulum ATPase 著者 Akutsu, M, Schaeffer, V, Olma, M.H, Gomes, L.C, Kawasaki, M, Dikic, I. 登録日 2014-02-20 公開日 2014-05-07 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.3001 Å) 主引用文献 Binding of OTULIN to the PUB domain of HOIP controls NF-kappa B signaling. Mol.Cell, 54, 2014
3UPP	Structure of penicillin-binding protein A from M. tuberculosis: ceftrixaone acyl-enzyme complex 分子名称: CEFOTAXIME, C3' cleaved, open, ... 著者 Davies, C, Fedorovich, A. 登録日 2011-11-18 公開日 2012-10-24 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis J.Mol.Biol., 418, 2012
4P0K	Crystal Structure of Double Loop-Swapped Interleukin-36Ra 分子名称: Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein 著者 Guenther, S, Sundberg, E.J. 登録日 2014-02-21 公開日 2014-06-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor. J Immunol., 193, 2014
4OGS	Crystal structure of GFP S205A/T203V at 2.2 A resolution 分子名称: CHLORIDE ION, Green fluorescent protein 著者 Remington, S.J, Saif, M. 登録日 2014-01-16 公開日 2014-05-14 最終更新日 2014-06-18 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Insight into the structure and the mechanism of the slow proton transfer in the GFP double mutant T203V/S205A. Phys Chem Chem Phys, 16, 2014
3UD6	Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design 分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION 著者 Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D. 登録日 2011-10-27 公開日 2011-11-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.091 Å) 主引用文献 Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012

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