PDB: 47902 件ウェブページステータス検索Chemie searchBIRD

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2XLR	Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: Asn78Asp mutant 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FLAVIN-CONTAINING MONOOXYGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Orru, R, Fraaije, M.W, Mattevi, A. 登録日 2010-07-21 公開日 2010-09-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Joint functions of protein residues and NADP(H) in oxygen activation by flavin-containing monooxygenase. J. Biol. Chem., 285, 2010
5DB4	Mycobacterium abscessus NadD in complex with Mg-ATP, space group I41 分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nicotinate-nucleotide adenylyltransferase 著者 Reed, R.W, Korotkov, K.V, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2015-08-20 公開日 2016-08-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Mycobacterium abscessus NadD in complex with Mg-ATP, space group I41 to be published
3E6N	Structure of murine INOS oxygenase domain with inhibitor AR-C125813 分子名称: 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... 著者 Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. 登録日 2008-08-15 公開日 2008-10-07 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
4Y39	Endothiapepsin in complex with fragment 75 分子名称: 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
2XMI	Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, complexed with citrate 分子名称: 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, CITRATE ANION, ... 著者 Myllykoski, M, Kursula, P. 登録日 2010-07-28 公開日 2011-08-10 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation. Plos One, 7, 2012
5Z9H	Crystal structure of KAI2_ply2(A219V) 分子名称: Probable esterase KAI2 著者 Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. 登録日 2018-02-03 公開日 2018-08-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana. J. Exp. Bot., 69, 2018
4GUY	Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide 分子名称: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... 著者 Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. 登録日 2012-08-30 公開日 2012-09-19 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors. To be Published
5DC0	CRYSTAL STRUCTURE OF MONOBODY GG3/ABL1 SH2 DOMAIN COMPLEX 分子名称: Fibronectin, Tyrosine-protein kinase ABL1 著者 Wojcik, J.B, Grabe, G, Koide, S. 登録日 2015-08-22 公開日 2016-03-02 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface. J.Biol.Chem., 291, 2016
4XY6	Crystal Structure of mutant (Thr68Ala) Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4 分子名称: Hypothetical Thioesterase Protein SP_1851 著者 Khandokar, Y.B, Srivastava, P, Forwood, J.K. 登録日 2015-02-02 公開日 2015-05-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of mutant (Thr68Ala) Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4 To Be Published
5Z9P	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, MAGNESIUM ION 著者 Huang, X, Zhou, H. 登録日 2018-02-04 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5DC9	CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL B 分子名称: AS25 monobody, GLYCEROL, IMIDAZOLE, ... 著者 Wojcik, J.B, Koide, A, Koide, S. 登録日 2015-08-23 公開日 2016-03-02 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface. J.Biol.Chem., 291, 2016
3EQQ	Apo Toluene 2,3-Dioxygenase 分子名称: Benzene 1,2-dioxygenase subunit alpha, Benzene 1,2-dioxygenase subunit beta, FE (II) ION, ... 著者 Friemann, R, Lee, K, Brown, E.N, Gibson, D.T, Eklund, H, Ramaswamy, S. 登録日 2008-10-01 公開日 2009-03-17 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structures of the multicomponent Rieske non-heme iron toluene 2,3-dioxygenase enzyme system Acta Crystallogr.,Sect.D, 65, 2009
4XZ2	Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal form I 分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Kloos, M, Strater, N. 登録日 2015-02-03 公開日 2015-06-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation. Biochem.J., 469, 2015
2XRW	Linear binding motifs for JNK and for calcineurin antagonistically control the nuclear shuttling of NFAT4 分子名称: GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 8, NUCLEAR FACTOR OF ACTIVATED T-CELLS, ... 著者 Barkai, T, Toeoroe, I, Garai, A, Remenyi, A. 登録日 2010-09-23 公開日 2011-09-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove. Sci. Signal, 5, 2012
4Y10	Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid 分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ... 著者 Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. 登録日 2015-02-06 公開日 2015-06-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
4Y17	SdiA in complex with 3-oxo-C8-homoserine lactone 分子名称: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, Transcriptional regulator of ftsQAZ gene cluster 著者 Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y. 登録日 2015-02-06 公開日 2015-04-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.84 Å) 主引用文献 Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator. Mbio, 6, 2015
4GVL	Crystal Structure of the GsuK RCK domain 分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, TrkA domain protein, ... 著者 Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y. 登録日 2012-08-30 公開日 2012-12-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel. elife, 1, 2012
4GZ6	Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc 分子名称: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit 著者 Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S. 登録日 2012-09-06 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.98 Å) 主引用文献 Structural snapshots of the reaction coordinate for O-GlcNAc transferase. Nat.Chem.Biol., 8, 2012
5Z7G	Crystal structure of TAX1BP1 SKICH region in complex with NAP1 分子名称: 5-azacytidine-induced protein 2, GLYCEROL, Tax1-binding protein 1 著者 Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q, Wang, Y.L, Hu, S.C. 登録日 2018-01-28 公開日 2019-01-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.301 Å) 主引用文献 Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1 Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5DET	X-ray structure of human RBPMS in complex with the RNA 分子名称: RNA (5'-R(*UP*CP*AP*C)-3'), RNA (5'-R(P*UP*CP*AP*CP*U)-3'), RNA-binding protein with multiple splicing, ... 著者 Teplova, M, Farazi, T.A, Tuschl, T, Patel, D.J. 登録日 2015-08-25 公開日 2015-09-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural basis underlying CAC RNA recognition by the RRM domain of dimeric RNA-binding protein RBPMS. Q. Rev. Biophys., 49, 2016
4Y2S	Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol 分子名称: 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
2F80	HIV-1 Protease mutant D30N complexed with inhibitor TMC114 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, POL POLYPROTEIN, ... 著者 Kovalevsky, A.Y, Weber, I.T. 登録日 2005-12-01 公開日 2006-03-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
4Y36	Endothiapepsin in complex with fragment 4 分子名称: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ... 著者 Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5DTR	Crystal structure of Dot1L in complex with inhibitor CPD5 [N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine] 分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine 著者 Scheufler, C, Be, C, Moebitz, H, Stauffer, F. 登録日 2015-09-18 公開日 2016-06-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket. Acs Med.Chem.Lett., 7, 2016
4Y3K	Structure of Vaspin mutant E379S 分子名称: 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 著者 Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. 登録日 2015-02-10 公開日 2015-08-12 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015

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