PDB: 17012 件ウェブページステータス検索Chemie searchBIRD

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4IO8	Crystal structure of human HSP70 complexed with 4-{(2R,3S,4R)-5-[(R)-6-Amino-8-(3,4-dichloro-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxymethyl}-benzonitrile 分子名称: 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Heat shock 70kDa protein 1A variant 著者 Musil, D, Scholz, S. 登録日 2013-01-07 公開日 2013-12-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Functional analysis of hsp70 inhibitors. Plos One, 8, 2013
3NQV	Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R5 7/4A 分子名称: BENZAMIDINE, deoxyribose phosphate aldolase 著者 Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) 登録日 2010-06-29 公開日 2011-02-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
4J0R	Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand 分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ... 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-01-31 公開日 2013-02-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
4J0S	Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand 分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4 著者 Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-01-31 公開日 2013-02-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
1YPM	X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1014 分子名称: Hirudin, N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE, Thrombin heavy chain, ... 著者 Fokkens, J, Radau, G. 登録日 2005-01-31 公開日 2006-01-17 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Design and X-ray crystal structures of human thrombin with synthetic cyanopeptide-analogues. Pharmazie, 62, 2007
1YPL	X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1008 分子名称: GLYCEROL, Hirudin, N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE, ... 著者 Fokkens, J, Radau, G. 登録日 2005-01-31 公開日 2006-01-17 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Design and X-ray crystal structures of human thrombin with synthetic cyanopeptide-analogues. Pharmazie, 62, 2007
4R3Q	Crystal structure of SYCE3 分子名称: Synaptonemal complex central element protein 3 著者 Lu, J, Feng, J, Zhou, W, Yang, X, Shen, Y. 登録日 2014-08-17 公開日 2014-11-26 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.901 Å) 主引用文献 Structural insight into the central element assembly of the synaptonemal complex Sci Rep, 4, 2014
4REW	Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex 分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... 著者 Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. 登録日 2014-09-24 公開日 2014-12-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (4.58 Å) 主引用文献 Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
2NXM	Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLN-THR-PHE*TYR-VAL-ASP-GLY-ALA 分子名称: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN 著者 Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A. 登録日 2006-11-17 公開日 2007-09-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease Proteins, 70, 2007
2IHQ	Crystal Structure of the Rat Androgen Receptor Ligand Binding Domian Complex with an N-Aryl-Hydroxybicyclohydantoin 分子名称: 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE, Androgen receptor 著者 Sack, J.S. 登録日 2006-09-27 公開日 2006-12-12 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of potent, orally-active, and muscle-selective androgen receptor modulators based on an N-aryl-hydroxybicyclohydantoin scaffold. J.Med.Chem., 49, 2006
4GU9	Focal adhesion kinase catalytic domain in complex with (2-Fluoro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 分子名称: Focal adhesion kinase 1, N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 著者 Musil, D. 登録日 2012-08-29 公開日 2013-09-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors. J.Med.Chem., 56, 2013
6Q6G	Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D1 box class 分子名称: Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... 著者 Zhang, S, Barford, D. 登録日 2018-12-11 公開日 2019-09-11 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Cyclin A2 degradation during the spindle assembly checkpoint requires multiple binding modes to the APC/C. Nat Commun, 10, 2019
4OGX	Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution 分子名称: DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ... 著者 Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R. 登録日 2014-01-16 公開日 2014-07-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Inhibition of plasma kallikrein by a highly specific active site blocking antibody. J.Biol.Chem., 289, 2014
2NXD	Structure of HIV-1 protease D25N complexed with rt-rh analogue peptide GLY-ALA-ASP-ILE-PHE*TYR-LEU-ASP-GLY-ALA 分子名称: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN 著者 Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A. 登録日 2006-11-17 公開日 2007-09-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease Proteins, 70, 2007
3MZ6	Crystal structure of D101L Fe2+ HDAC8 complexed with M344 分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, FE (II) ION, Histone deacetylase 8, ... 著者 Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W. 登録日 2010-05-11 公開日 2010-06-23 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function. Biochemistry, 49, 2010
3MZ7	Crystal structure of D101L Co2+ HDAC8 complexed with M344 分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, COBALT (II) ION, GLYCEROL, ... 著者 Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W. 登録日 2010-05-11 公開日 2010-06-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function. Biochemistry, 49, 2010
1ZKC	Crystal Structure of the cyclophiln_RING domain of human peptidylprolyl isomerase (cyclophilin)-like 2 isoform b 分子名称: BETA-MERCAPTOETHANOL, Peptidyl-prolyl cis-trans isomerase like 2 著者 Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) 登録日 2005-05-02 公開日 2005-08-16 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
4O4P	Structure of P450 BM3 A82F F87V in complex with S-omeprazol 分子名称: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Leys, D. 登録日 2013-12-19 公開日 2014-01-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3. Biochem.J., 460, 2014
4OCY	Fab for methotrexate (unbound apo) 分子名称: Fab ADD058 Heavy Chain, Fab ADD058 Light Chain 著者 Longenecker, K.L, Judge, R.A, Gayda, S, Manoj, S, Saldana, S, Ruan, Q, Swift, K, Tetin, S. 登録日 2014-01-09 公開日 2014-07-02 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Water channel in the binding site of a high affinity anti-methotrexate antibody. Biochemistry, 53, 2014
3PM2	Crystal structure of a novel type of odorant binding protein from Anopheles gambiae belonging to the c+ class 分子名称: Odorant binding protein (AGAP007287-PA) 著者 Spinelli, S, Lagarde, A, Qiao, H, Tegoni, M, Pelosi, P, Cambillau, C. 登録日 2010-11-16 公開日 2011-05-25 最終更新日 2018-06-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of a novel type of odorant-binding protein from Anopheles gambiae, belonging to the C-plus class. Biochem.J., 437, 2011
2Q0S	Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase 分子名称: Aryl esterase, SULFATE ION 著者 Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. 登録日 2007-05-22 公開日 2007-12-11 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions. Biochemistry, 46, 2007
3NPU	Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution 分子名称: deoxyribose phosphate aldolase 著者 Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) 登録日 2010-06-29 公開日 2011-02-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
3NPW	In silico designed of an improved Kemp eliminase KE70 mutant by computational design and directed evolution 分子名称: deoxyribose phosphate aldolase 著者 Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) 登録日 2010-06-29 公開日 2011-02-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
2P8B	Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Lys. 分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N-SUCCINYL LYSINE 著者 Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C. 登録日 2007-03-22 公開日 2007-07-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Prediction and assignment of function for a divergent N-succinyl amino acid racemase. Nat.Chem.Biol., 3, 2007
4OCX	Fab complex with methotrexate 分子名称: Fab ADD056 Heavy Chain, Fab ADD056 Light Chain, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID 著者 Longenecker, K.L, Judge, R.A, Gayda, S, Manoj, S, Saldana, S, Ruan, Q, Swift, K, Tetin, S. 登録日 2014-01-09 公開日 2014-07-02 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Water channel in the binding site of a high affinity anti-methotrexate antibody. Biochemistry, 53, 2014

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