PDB: 222415 件ウェブページステータス検索Chemie searchBIRD

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4LQT	1.10A resolution crystal structure of a superfolder green fluorescent protein (W57A) mutant 分子名称: 1,2-ETHANEDIOL, Green fluorescent protein 著者 Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. 登録日 2013-07-19 公開日 2013-12-18 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation. J.Am.Chem.Soc., 135, 2013
4MEN	Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 著者 Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-08-27 公開日 2013-09-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening. J.Med.Chem., 56, 2013
4LSO	Crystal structure of the soluble domain of a Type IV secretion system protein VirB8 from Bartonella quintana Toulouse 分子名称: Type IV secretion system protein virB8 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2013-07-22 公開日 2014-03-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems. MBio, 6, 2015
4LSV	Crystal structure of broadly and potently neutralizing antibody 3BNC117 in complex with HIV-1 clade C C1086 gp120 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN OF ANTIBODY 3BNC117, IMIDAZOLE, ... 著者 Zhou, T, Moquin, S, Kwong, P.D. 登録日 2013-07-23 公開日 2013-08-21 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies. Immunity, 39, 2013
4LPK	Crystal Structure of K-Ras WT, GDP-bound 分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. 登録日 2013-07-16 公開日 2013-11-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
4LS6	Crystal structure of beta-ketoacyl-ACP synthase II (FabF) I108F mutant from Bacillus subtilis 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, GLYCEROL, ... 著者 Trajtenberg, F, Larrieux, N, Buschiazzo, A. 登録日 2013-07-22 公開日 2014-04-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Structural insights into bacterial resistance to cerulenin. Febs J., 281, 2014
4LSN	Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ518), a non-nucleoside inhibitor 分子名称: (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ... 著者 Gray, W.T, Frey, K.M, Anderson, K.S. 登録日 2013-07-22 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase. Chem.Biol.Drug Des., 83, 2014
4LYH	Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide, ... 著者 Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. 登録日 2013-07-31 公開日 2013-11-27 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.371 Å) 主引用文献 K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
4LZF	A novel domain in the microcephaly protein CPAP suggests a role in centriole architecture 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Centrosomal P4.1-associated protein, SCL-interrupting locus protein homolog, ... 著者 Hatzopoulos, G.N, Erat, M.C, Cutts, E, Rogala, K, Slatter, L, Stansfeld, P.J, Vakonakis, I. 登録日 2013-07-31 公開日 2013-09-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Structural analysis of the G-box domain of the microcephaly protein CPAP suggests a role in centriole architecture. Structure, 21, 2013
4LUC	Crystal Structure of small molecule disulfide 6 bound to K-Ras G12C 分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. 登録日 2013-07-25 公開日 2013-11-27 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
4M0Q	Ebola virus VP24 structure 分子名称: Membrane-associated protein VP24 著者 Xu, W, Leung, D.W, Borek, D, Amarasinghe, G.K. 登録日 2013-08-01 公開日 2014-03-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.921 Å) 主引用文献 The Marburg Virus VP24 Protein Interacts with Keap1 to Activate the Cytoprotective Antioxidant Response Pathway. Cell Rep, 6, 2014
4LVU	Crystal Structure of a Putative Short Chain Dehydrogenase from Burkholderia thailandensis 分子名称: 1,2-ETHANEDIOL, Oxidoreductase, short chain dehydrogenase/reductase family 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2013-07-26 公開日 2013-08-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystal Structure of a Putative Short Chain Dehydrogenase from Burkholderia thailandensis TO BE PUBLISHED
4M22	Crystal Structure of small molecule acrylamide 16 covalently bound to K-Ras G12C 分子名称: 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, ... 著者 Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. 登録日 2013-08-05 公開日 2013-11-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
4M1T	Crystal Structure of small molecule vinylsulfonamide 14 covalently bound to K-Ras G12C 分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide 著者 Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. 登録日 2013-08-04 公開日 2013-11-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.703 Å) 主引用文献 K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
4LY8	dihydrodipicolinate synthase from C. jejuni with pyruvate bound to the active site 分子名称: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ... 著者 Conly, C.J.T. 登録日 2013-07-30 公開日 2015-01-14 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Tyrosine 110 Plays a Critical Role in Regulating the Allosteric Inhibition of Campylobacter jejuni Dihydrodipicolinate Synthase by Lysine. Biochemistry, 53, 2014
4LZ5	Crystal structures of GLuR2 ligand-binding-domain in complex with glutamate and positive allosteric modulators 分子名称: GLUTAMIC ACID, Glutamate receptor 2, N-[(2R)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide, ... 著者 Pandit, J. 登録日 2013-07-31 公開日 2013-12-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators. J.Med.Chem., 56, 2013
4M04	Human DNA Polymerase Mu ternary complex 分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. 登録日 2013-08-01 公開日 2014-02-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.898 Å) 主引用文献 Sustained active site rigidity during synthesis by human DNA polymerase mu. Nat.Struct.Mol.Biol., 21, 2014
4N63	Crystal structure of hemagglutinin from an H7N9 influenza virus in complex with an O-linked glycan receptor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... 著者 Xu, R, Wilson, I.A. 登録日 2013-10-11 公開日 2013-12-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.7522 Å) 主引用文献 Preferential recognition of avian-like receptors in human influenza A H7N9 viruses. Science, 342, 2013
4MRH	Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 分子名称: 4-chloro-5-methylbenzene-1,2-diamine, CD44 antigen, DIMETHYL SULFOXIDE 著者 Liu, L.K, Finzel, B. 登録日 2013-09-17 公開日 2014-04-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors. J.Med.Chem., 57, 2014
4MT7	Crystal structure of collybistin I 分子名称: Rho guanine nucleotide exchange factor 9 著者 Schneeberger, D, Schindelin, H. 登録日 2013-09-19 公開日 2014-08-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 A conformational switch in collybistin determines the differentiation of inhibitory postsynapses. Embo J., 33, 2014
4N7X	The E254A mutant of the sodium bile acid symporter from Yersinia frederiksenii 分子名称: Transporter, sodium/bile acid symporter family 著者 Zhou, X, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS) 登録日 2013-10-16 公開日 2013-12-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis of the alternating-access mechanism in a bile acid transporter. Nature, 505, 2013
4E5D	2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex 分子名称: 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole, Luciferin 4-monooxygenase 著者 Lovell, S, Battaile, K.P, Throne, N, Shen, M, Auld, D.S, Inglese, J. 登録日 2012-03-14 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.201 Å) 主引用文献 Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter. Chem.Biol., 19, 2012
4MWC	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1540) 分子名称: 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. 登録日 2013-09-24 公開日 2014-04-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.649 Å) 主引用文献 Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
4N9K	crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine 分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase 著者 Pan, X, Wong, W, Zhao, Y. 登録日 2013-10-21 公開日 2014-09-10 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation Biochemistry, 53, 2014
4EG8	Trypanosoma brucei methionyl-tRNA synthetase in complex with compound Chem 89 分子名称: 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. 登録日 2012-03-30 公開日 2012-09-12 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.596 Å) 主引用文献 Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012

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