2H47
| Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 1) | 分子名称: | Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION | 著者 | Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S. | 登録日 | 2006-05-23 | 公開日 | 2006-11-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis. Biochemistry, 45, 2006
|
|
2H3X
| Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes Faecalis (Form 3) | 分子名称: | Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION | 著者 | Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S. | 登録日 | 2006-05-23 | 公開日 | 2006-11-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis. Biochemistry, 45, 2006
|
|
4O9R
| Human Smoothened Receptor structure in complex with cyclopamine | 分子名称: | Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein | 著者 | Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR) | 登録日 | 2014-01-02 | 公開日 | 2014-03-05 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (3.204 Å) | 主引用文献 | Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography. Nat Commun, 5, 2014
|
|
8CK3
| STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ... | 著者 | Musil, D, Lehmannn, M, Diehl, L. | 登録日 | 2023-02-14 | 公開日 | 2023-07-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. J.Med.Chem., 66, 2023
|
|
8CK8
| |
1SGK
| |
8CK4
| STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | 著者 | Musil, D. | 登録日 | 2023-02-14 | 公開日 | 2023-07-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. J.Med.Chem., 66, 2023
|
|
5IME
| Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | 分子名称: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | 著者 | Li, D, Wang, W. | 登録日 | 2016-03-06 | 公開日 | 2016-05-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | 主引用文献 | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J.Med.Chem., 59, 2016
|
|
5IN7
| X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN | 分子名称: | Neuronal migration protein doublecortin | 著者 | Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R. | 登録日 | 2016-03-07 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies. J.Biol.Chem., 291, 2016
|
|
1YZ1
| |
3N5E
| Crystal Structure of human thymidylate synthase bound to a peptide inhibitor | 分子名称: | SULFATE ION, Synthetic peptide LR, Thymidylate synthase | 著者 | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | 登録日 | 2010-05-25 | 公開日 | 2011-06-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
5IA4
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880) | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.797 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
|
|
5I04
| Crystal structure of the orphan region of human endoglin/CD105 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Endoglin, TRIETHYLENE GLYCOL, ... | 著者 | Saito, T, Bokhove, M, de Sanctis, D, Jovine, L. | 登録日 | 2016-02-03 | 公開日 | 2017-06-07 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1. Cell Rep, 19, 2017
|
|
8IMZ
| Cryo-EM structure of mouse Piezo1-MDFIC complex (composite map) | 分子名称: | MyoD family inhibitor domain-containing protein, Piezo-type mechanosensitive ion channel component 1 | 著者 | Zhou, Z, Ma, X, Lin, Y, Cheng, D, Bavi, N, Li, J.V, Sutton, D, Yao, M, Harvey, N, Corry, B, Zhang, Y, Cox, C.D. | 登録日 | 2023-03-07 | 公開日 | 2023-08-09 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | 主引用文献 | MyoD-family inhibitor proteins act as auxiliary subunits of Piezo channels. Science, 381, 2023
|
|
5BRV
| Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | 分子名称: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | 著者 | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | 登録日 | 2015-06-01 | 公開日 | 2015-06-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
|
|
8IBQ
| Bromodomain and Extra-terminal Domain (BET) BRD4 | 分子名称: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | 著者 | Cao, D, Zhiyan, D, Xiong, B. | 登録日 | 2023-02-10 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
|
|
8IDH
| Bromodomain and Extra-terminal Domain (BET) BRD4 | 分子名称: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | 著者 | Cao, D, Zhiyan, D, Xiong, B. | 登録日 | 2023-02-13 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
|
|
8P2Z
| Structure of human SIT1 bound to L-pipecolate (focussed map / refinement) | 分子名称: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | 登録日 | 2023-05-16 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
|
|
8P30
| Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate | 分子名称: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | 登録日 | 2023-05-16 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
|
|
8P31
| Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate | 分子名称: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | 登録日 | 2023-05-16 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
|
|
8CNK
| |
8CQD
| |
8CQC
| |
5I9U
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
|
|
5BRW
| Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | 分子名称: | ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ... | 著者 | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | 登録日 | 2015-06-01 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
|
|