5JSZ
| Folate ECF transporter: apo state | 分子名称: | Conserved hypothetical membrane protein, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | 著者 | Swier, L.J.Y.M, Guskov, A, Slotboom, D.J. | 登録日 | 2016-05-09 | 公開日 | 2016-05-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.004 Å) | 主引用文献 | Structural insight in the toppling mechanism of an energy-coupling factor transporter. Nat Commun, 7, 2016
|
|
4R1Y
| Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitor | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate, Hepatocyte growth factor receptor | 著者 | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | 登録日 | 2014-08-08 | 公開日 | 2015-03-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
|
|
7LPR
| |
3J25
| Structural basis for TetM-mediated tetracycline resistance | 分子名称: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Tetracycline resistance protein tetM | 著者 | Doenhoefer, A, Franckenberg, S, Wickles, S, Berninghausen, O, Beckmann, R, Wilson, D.N. | 登録日 | 2012-08-22 | 公開日 | 2012-10-17 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (7.2 Å) | 主引用文献 | Structural basis for TetM-mediated tetracycline resistance. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4QSC
| Crystal structure of ATU4361 sugar transporter from Agrobacterium Fabrum C58, target efi-510558, with bound maltose | 分子名称: | ABC-TYPE SUGAR TRANSPORTER, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-07-03 | 公開日 | 2014-07-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal Structure of Maltoside Transporter Atu4361 from Agrobacterium Fabrum, Target Efi-510558 To be Published
|
|
4CST
| Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile | 分子名称: | 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH | 著者 | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | 登録日 | 2014-03-10 | 公開日 | 2015-02-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
|
|
4QSU
| Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine | 分子名称: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-07-06 | 公開日 | 2014-07-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
|
|
4QTC
| Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I binding mode | 分子名称: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ... | 著者 | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-07-07 | 公開日 | 2014-07-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
|
|
5JVI
| Thermolysin in complex with JC148. | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | 登録日 | 2016-05-11 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands. J. Med. Chem., 59, 2016
|
|
4R52
| 1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | 著者 | Geng, J, Gumpper, R.H, Huo, L, Liu, A. | 登録日 | 2014-08-20 | 公開日 | 2016-03-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | 1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans To be Published
|
|
3SGP
| Amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain | 著者 | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | 登録日 | 2011-06-15 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.4016 Å) | 主引用文献 | Atomic view of a toxic amyloid small oligomer. Science, 335, 2012
|
|
5JYB
| Crystal structure of 3 mutant of Ba3275 (S116A, E243A, H313A), the member of S66 family of serine peptidases | 分子名称: | 1,2-ETHANEDIOL, 2-BUTANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Nocek, B, Jedrzejczak, R, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2016-05-13 | 公開日 | 2016-06-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.647 Å) | 主引用文献 | Crystal structure of 3 mutant of Ba3275 (S116A, E243A, H313A), the member of S66 family of serine peptidases To Be Published
|
|
5K05
| Crystal Structure of COMT in complex with 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole | 分子名称: | 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole, Catechol O-methyltransferase, SULFATE ION | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | 登録日 | 2016-05-17 | 公開日 | 2016-09-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
|
|
4R7O
| Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Kim, Y, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-08-28 | 公開日 | 2014-09-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.534 Å) | 主引用文献 | Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci To be Published
|
|
5K0F
| Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | 登録日 | 2016-05-17 | 公開日 | 2016-09-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
|
|
5K0R
| Crystal structure of reduced Shewanella Yellow Enzyme 4 (SYE4) | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H:flavin oxidoreductase Sye4, Octadecane | 著者 | Elegheert, J, Brige, A, Savvides, S.N. | 登録日 | 2016-05-17 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands. FEBS Lett., 591, 2017
|
|
5K15
| Crystal structure of laccase from Thermus thermophilus HB27 (Cu2PO, 8 min) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | 著者 | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | 登録日 | 2016-05-17 | 公開日 | 2017-05-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
|
|
4JJN
| Crystal structure of heterochromatin protein Sir3 in complex with a silenced yeast nucleosome | 分子名称: | DNA (146-MER), Histone H2A.2, Histone H2B.2, ... | 著者 | Wang, F, Li, G, Mohammed, A, Lu, C, Currie, M, Johnson, A, Moazed, D. | 登録日 | 2013-03-08 | 公開日 | 2013-05-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Heterochromatin protein Sir3 induces contacts between the amino terminus of histone H4 and nucleosomal DNA. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
7P4M
| |
4R9O
| Crystal Structure of Putative Aldo/Keto Reductase from Salmonella enterica | 分子名称: | Putative aldo/keto reductase | 著者 | Kim, Y, Maltseva, N, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-09-05 | 公開日 | 2014-09-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Crystal Structure of Putative Aldo/Keto Reductase from Salmonella enterica To be Published
|
|
4QQX
| Crystal structure of T. fusca Cas3-ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ... | 著者 | Ke, A, Huo, Y, Nam, K.H. | 登録日 | 2014-06-30 | 公開日 | 2014-08-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | 主引用文献 | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
|
|
7P4Q
| |
5K1U
| |
4RA7
| Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin | 分子名称: | (2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan glycosyltransferase | 著者 | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2014-09-09 | 公開日 | 2014-09-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin To be Published
|
|
7P4P
| |