6B8Z
 
 | | Multiconformer model of WT PTP1B with BB3 at 273 K | | 分子名称: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2017-10-09 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
4Y4J
 | | Endothiapepsin in complex with fragment B97 | | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2016-05-11 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
|
|
2N4O
 | |
6AV2
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)phenethyl)-4-methylpyridin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-09-01 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
|
|
4Y53
 | | Endothiapepsin in complex with fragment 54 | | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine, Endothiapepsin, ... | | 著者 | Radeva, N, Heine, A, Klebe, G. | | 登録日 | 2015-02-11 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
|
|
2NC0
 | |
5V8T
 | | Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354 | | 分子名称: | 2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate, FORMIC ACID, MAGNESIUM ION, ... | | 著者 | Lorimer, D.D, Dranow, D.M, Seufert, F, Abendroth, J, Holzgrabe, U. | | 登録日 | 2017-03-22 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354
to be published
|
|
6AW9
 | | 2.55A resolution structure of SAH bound catechol O-methyltransferase (COMT) L136M from Nannospalax galili | | 分子名称: | CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | | 登録日 | 2017-09-05 | | 公開日 | 2018-09-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
|
|
4Y5C
 | |
2NC1
 | |
4Y5M
 | | Endothiapepsin in complex with fragment 328 | | 分子名称: | 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Fu, K, Heine, A, Klebe, G. | | 登録日 | 2015-02-11 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
|
|
5UTU
 | | 2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH and NAD | | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE, Adenosylhomocysteinase, ... | | 著者 | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Stam, J, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2017-02-15 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | 2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH and NAD
To Be Published
|
|
5UI5
 | |
4Y3N
 | | Endothiapepsin in complex with fragment 273 | | 分子名称: | 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide, ACETATE ION, Endothiapepsin, ... | | 著者 | Krimmer, S.G, 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 (1.34 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
|
|
2N67
 | |
6BB1
 | | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | | 分子名称: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | | 著者 | Ultsch, M, Eigenbrot, C. | | 登録日 | 2017-10-16 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
|
|
4Y3Z
 | | Endothiapepsin in complex with fragment 41 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, 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 (1.12 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
|
|
4Y4D
 | | Endothiapepsin in complex with fragment B51 | | 分子名称: | ACETATE ION, CAFFEINE, DIMETHYL SULFOXIDE, ... | | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2016-05-11 | | 実験手法 | X-RAY DIFFRACTION (1.269 Å) | | 主引用文献 | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
|
|
5VAN
 | | Crystal Structure of Beta-Klotho | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Lee, S, Schlessinger, J. | | 登録日 | 2017-03-27 | | 公開日 | 2018-01-31 | | 最終更新日 | 2021-03-24 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | Structures of beta-klotho reveal a 'zip code'-like mechanism for endocrine FGF signalling.
Nature, 553, 2018
|
|
2NDM
 | | NMR solution structure of PawS Derived Peptide 21 (PDP-21) | | 分子名称: | PawS derived peptide 21 | | 著者 | Franke, B, Jayasena, A.S, Fisher, M.F, Swedberg, J.E, Taylor, N.L, Mylne, J.S, Rosengren, K. | | 登録日 | 2016-07-17 | | 公開日 | 2016-08-24 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana).
Biopolymers, 106, 2016
|
|
5UJW
 | | Crystal structure of triosephosphate isomerase from Francisella tularensis subsp. tularensis SCHU S4 | | 分子名称: | 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, CITRIC ACID, ... | | 著者 | Chang, C, Maltseva, N, Kim, Y, Shatsman, S, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2017-01-19 | | 公開日 | 2017-02-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Crystal structure of triosephosphate isomerase from Francisella tularensis subsp. tularensis SCHU S4
To Be Published
|
|
4Y4W
 | |
4Y56
 | | Endothiapepsin in complex with fragment 58 | | 分子名称: | 1,2-ETHANEDIOL, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, DIMETHYL SULFOXIDE, ... | | 著者 | Radeva, N, Heine, A, Klebe, G. | | 登録日 | 2015-02-11 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
|
|
4YHV
 | | Yeast Prp3 C-terminal fragment 325-469 | | 分子名称: | ACETIC ACID, U4/U6 small nuclear ribonucleoprotein PRP3 | | 著者 | Liu, S, Wahl, M.C. | | 登録日 | 2015-02-27 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A composite double-/single-stranded RNA-binding region in protein Prp3 supports tri-snRNP stability and splicing.
Elife, 4, 2015
|
|
4Y5T
 | | Structure of FtmOx1 apo with metal Iron | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, FE (II) ION, ... | | 著者 | Yan, W, Zhang, Y. | | 登録日 | 2015-02-12 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | | 主引用文献 | Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme.
Nature, 527, 2015
|
|
