PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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6AY4	Naegleria fowleri CYP51-fluconazole complex 分子名称: 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYP51, ... 著者 Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. 登録日 2017-09-07 公開日 2017-11-22 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
6ERW	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ... 著者 Mueller, J.M, Heine, A, Klebe, G. 登録日 2017-10-19 公開日 2018-10-31 最終更新日 2019-05-15 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
6ES3	Structure of CDX2-DNA(TCG) 分子名称: DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 著者 Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. 登録日 2017-10-19 公開日 2018-03-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima. Elife, 7, 2018
6B1S	Hydrogen Bonding Complementary, not size complementarity is key in the formation of the double helix 分子名称: DNA (5'-D(*CP*TP*TP*AP*TP*AP*(CGY)P*(CGY)P*TP*TP*TP*AP*TP*AP*AP*G)-3'), Reverse transcriptase 著者 Singh, I, Georgiadis, M.M. 登録日 2017-09-18 公開日 2018-09-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 "Skinny" and "Fat" DNA: Two New Double Helices. J. Am. Chem. Soc., 140, 2018
6E7J	HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand 分子名称: (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... 著者 Wang, Y.-F, Agniswamy, J, Weber, I.T. 登録日 2018-07-26 公開日 2018-11-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61, 2018
5WXO	Crystal structure of uPA in complex with upain-2-2-W3A 分子名称: Urokinase-type plasminogen activator chain B, upain-2-2-W3A peptide 著者 Jiang, L, Huang, M. 登録日 2017-01-08 公開日 2018-07-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Cleavage of peptidic inhibitors by target protease is caused by peptide conformational transition. Biochim. Biophys. Acta, 1862, 2018
7MSJ	The crystal structure of mouse HVEM 分子名称: SULFATE ION, Tumor necrosis factor receptor superfamily member 14 著者 Liu, W, Ramagopal, U, Garrett-Thompson, S.C, Fedorov, E, Bonanno, J.B, Almo, S.C. 登録日 2021-05-11 公開日 2021-10-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 HVEM structures and mutants reveal distinct functions of binding to LIGHT and BTLA/CD160. J.Exp.Med., 218, 2021
6E8C	Crystal structure of the double homeodomain of DUX4 in complex with DNA 分子名称: DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4 著者 Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H. 登録日 2018-07-27 公開日 2018-12-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA. Cell Rep, 25, 2018
5WXS	Crystal structure of uPA in complex with S2444 分子名称: (2R)-N-[2-[[(2S)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide, Urokinase-type plasminogen activator chain B 著者 Jiang, L, Huang, M. 登録日 2017-01-08 公開日 2018-07-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of uPA in complex with S2444 To Be Published
7VGP	Hen egg lysozyme refolded after denaturation at acidic pH 分子名称: Lysozyme C, SODIUM ION 著者 Oda, M, Ikura, T, Ito, N. 登録日 2021-09-17 公開日 2022-02-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Structural Analysis of Hen Egg Lysozyme Refolded after Denaturation at Acidic pH. Protein J., 41, 2022
6E8I	Legionella Longbeachae LeSH (Llo2327) bound to phosphotyrosine 分子名称: LeSH (Llo2327), O-PHOSPHOTYROSINE 著者 Kaneko, T, Li, S.S.C. 登録日 2018-07-29 公開日 2018-11-14 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Identification and characterization of a large family of superbinding bacterial SH2 domains. Nat Commun, 9, 2018
5WHE	KRas G12V/D38P, bound to GppNHp and miniprotein 225-11 分子名称: CALCIUM ION, GTPase KRas, MAGNESIUM ION, ... 著者 Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L. 登録日 2017-07-16 公開日 2018-01-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Exceptionally high-affinity Ras binders that remodel its effector domain. J. Biol. Chem., 293, 2018
6E99	Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor. 分子名称: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha 著者 Judge, R.A, Hobson, A.D. 登録日 2018-07-31 公開日 2018-11-14 最終更新日 2019-01-16 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design. J. Med. Chem., 61, 2018
6E6H	NRAS G13D bound to GppNHp (N13GNP) 分子名称: GTPase NRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Johnson, C.W, Mattos, C. 登録日 2018-07-24 公開日 2019-07-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
5Y0G	Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid 分子名称: 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte 著者 Su, H.X, Liu, Q.F, Xu, Y.C. 登録日 2017-07-17 公開日 2018-06-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.542 Å) 主引用文献 From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4 Eur J Med Chem, 154, 2018
6E6L	Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:K40L:T51F:Y60A mutant of human cellular retinol binding protein II 分子名称: ACETATE ION, RETINAL, Retinol-binding protein 2 著者 Ghanbarpour, A, Geiger, J. 登録日 2018-07-25 公開日 2019-10-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches. J.Am.Chem.Soc., 141, 2019
7VGO	Hen egg lysozyme 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Oda, M, Ikura, T, Ito, N. 登録日 2021-09-17 公開日 2022-02-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structural Analysis of Hen Egg Lysozyme Refolded after Denaturation at Acidic pH. Protein J., 41, 2022
5WK7	P450cam mutant R186A 分子名称: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... 著者 Batabyal, D, Poulos, T.L. 登録日 2017-07-24 公開日 2017-09-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.983 Å) 主引用文献 Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics. J. Am. Chem. Soc., 139, 2017
7DTF	Room temperature structure of lysozyme by serial millisecond crystallography 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Nam, K.H. 登録日 2021-01-04 公開日 2021-01-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Room temperature structure of lysozyme by serial millisecond crystallography To Be Published
7DTB	Room tempeature structure of lysozyme by fixed-target serial crystallography 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Nam, K.H. 登録日 2021-01-04 公開日 2021-01-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Room tempeature structure of lysozyme by fixed-target serial crystallography To Be Published
6JMH	Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. 登録日 2019-03-10 公開日 2020-03-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
7E02	Room temperature structure of lysozyme delivered in beef tallow by serial millisecond crystallography 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Nam, K.H. 登録日 2021-01-26 公開日 2021-02-10 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Room temperature structure of lysozyme delivered in beef tallow by serial millisecond crystallography To Be Published
7VSA	E. coli Ribonuclease HI in complex with two Mg2+ 分子名称: GLYCEROL, MAGNESIUM ION, Ribonuclease HI, ... 著者 Liao, Z, Oyama, T. 登録日 2021-10-26 公開日 2022-03-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography. Acta Crystallogr D Struct Biol, 78, 2022
5Y4E	Crystal Structure of AnkB Ankyrin Repeats R8-14 in complex with autoinhibition segment AI-b 分子名称: Ankyrin-2,Ankyrin-2, GLYCEROL, SULFATE ION 著者 Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M. 登録日 2017-08-03 公開日 2017-09-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.341 Å) 主引用文献 Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions. Elife, 6, 2017
4NUM	Crystal structure of mouse N-cadherin EC1-2 A78SI92M 分子名称: CALCIUM ION, Cadherin-2 著者 Jin, X. 登録日 2013-12-03 公開日 2014-09-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structural and energetic determinants of adhesive binding specificity in type I cadherins. Proc.Natl.Acad.Sci.USA, 111, 2014

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