3EMX
 
 | | Crystal structure of thioredoxin from Aeropyrum pernix | | 分子名称: | Thioredoxin | | 著者 | Bonanno, J.B, Dickey, M, Bain, K.T, Miller, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2008-09-25 | | 公開日 | 2008-10-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of thioredoxin from Aeropyrum pernix
To be Published
|
|
6Z4G
 | |
6Z55
 | | Crystal structure of CLK3 in complex with macrocycle ODS2004070 | | 分子名称: | 1,2-ETHANEDIOL, 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK3, ... | | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-05-26 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of CLK3 in complex with macrocycle ODS2004070
To Be Published
|
|
3EQI
 | |
2IC5
 | | Crystal structure of human RAC3 grown in the presence of Gpp(NH)p. | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Ugochukwu, E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC) | | 登録日 | 2006-09-12 | | 公開日 | 2006-10-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of human RAC3 grown in the presence of Gpp(NH)p.
To be Published
|
|
6Z7W
 | |
6Z84
 | | CK2 alpha bound to chemical probe SGC-CK2-1 derivative | | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | | 著者 | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-06-02 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Development of a potent and selective chemical probe for the pleiotropic kinase CK2.
Cell Chem Biol, 28, 2021
|
|
3EOD
 | |
5EG4
 | | BOVINE TRYPSIN IN COMPLEX WITH CYCLIC INHIBITOR | | 分子名称: | (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide, ACETATE ION, ... | | 著者 | Knoerlein, A, Wagner, S, Heine, A, Steinmetzer, T, Klebe, G. | | 登録日 | 2015-10-26 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines.
J.Med.Chem., 59, 2016
|
|
5EPZ
 | |
2IEZ
 | | Crystal Structure of mouse Rab27b bound to GDP in monoclinic space group | | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-27B | | 著者 | Chavas, L.M.G, Torii, S, Kamikubo, H, Kawasaki, M, Ihara, K, Kato, R, Kataoka, M, Izumi, T, Wakatsuki, S. | | 登録日 | 2006-09-19 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of the small GTPase Rab27b shows an unexpected swapped dimer
Acta Crystallogr.,Sect.D, 63, 2007
|
|
5EQB
 | | Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole | | 分子名称: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, Finer-Morre, J, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | 登録日 | 2015-11-12 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
3EQZ
 | | Crystal structure of a response regulator from Colwellia psychrerythraea | | 分子名称: | Response regulator | | 著者 | Bonanno, J.B, Gilmore, M, Bain, K.T, Iizuka, M, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2008-10-01 | | 公開日 | 2008-10-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structure of a response regulator from Colwellia psychrerythraea
To be Published
|
|
5EQI
 | | Human GLUT1 in complex with Cytochalasin B | | 分子名称: | Cytochalasin B, Solute carrier family 2, facilitated glucose transporter member 1 | | 著者 | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | | 登録日 | 2015-11-12 | | 公開日 | 2016-04-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | | 主引用文献 | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
2IHX
 | |
3EUY
 | | Crystal Structure of Ribonuclease A in 50% Dioxane | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic | | 著者 | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | 登録日 | 2008-10-12 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
|
|
5EKO
 | | Crystal structure of MAPK13 complex with inhibitor | | 分子名称: | 3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide, Mitogen-activated protein kinase 13 | | 著者 | Brett, T.J, Miller, C.A, Yurtsever, Z. | | 登録日 | 2015-11-03 | | 公開日 | 2016-07-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | First comprehensive structural and biophysical analysis of MAPK13 inhibitors targeting DFG-in and DFG-out binding modes.
Biochim.Biophys.Acta, 1860, 2016
|
|
3EV6
 | | Crystal Structure of Ribonuclease A in 50% R,S,R-Bisfuranol | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic | | 著者 | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | 登録日 | 2008-10-12 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
|
|
5EEL
 | | Grb7 SH2 with bicyclic peptide inhibitor | | 分子名称: | Bicyclic Peptide Inhibitor, FORMIC ACID, Growth factor receptor-bound protein 7, ... | | 著者 | Watson, G.M, Gunzburg, M.J, Wilce, M.C.J, Wilce, J.A. | | 登録日 | 2015-10-23 | | 公開日 | 2016-06-15 | | 最終更新日 | 2018-12-26 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7.
Sci Rep, 6, 2016
|
|
2IL2
 | | Crystal Structure of Human Renin Complexed with Inhibitor | | 分子名称: | CITRIC ACID, N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE, Renin | | 著者 | Mochalkin, I. | | 登録日 | 2006-10-02 | | 公開日 | 2006-12-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
|
|
6Z44
 | | Crystal structure of the cAMP-dependent protein kinase A in complex with phenol | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ... | | 著者 | Oebbeke, M, Heine, A, Klebe, G. | | 登録日 | 2020-05-22 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
3EVJ
 | | Intermediate structure of antithrombin bound to the natural pentasaccharide | | 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, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, ... | | 著者 | Huntington, J.A, Belzar, K.J. | | 登録日 | 2008-10-13 | | 公開日 | 2008-10-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The critical role of hinge-region expulsion in the induced-fit heparin binding mechanism of antithrombin.
J. Mol. Biol., 386, 2009
|
|
3EL4
 | | Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V | | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease | | 著者 | Prabu-Jeyabalan, M, King, N, Schiffer, C. | | 登録日 | 2008-09-19 | | 公開日 | 2009-09-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
|
|
5ESE
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R mutant complexed with fluconazole | | 分子名称: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
|
|
2J7Z
 | | Crystal Structure of recombinant Human Stromal Cell-Derived Factor- 1alpha | | 分子名称: | STROMAL CELL-DERIVED FACTOR 1 ALPHA | | 著者 | Ryu, E.K, Kim, T.G, Kwon, T.H, Jung, I.D, Ryu, D.W, Park, Y.-M, Ahn, K, Ban, C. | | 登録日 | 2006-10-18 | | 公開日 | 2006-10-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal Structure of Recombinant Human Stromal Cell-Derived Factor-1Alpha.
Proteins, 67, 2007
|
|
