5L8O
| crystal structure of human FABP6 in complex with cholate | 分子名称: | CHOLIC ACID, DI(HYDROXYETHYL)ETHER, Gastrotropin | 著者 | Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P. | 登録日 | 2016-06-08 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6). J.Med.Chem., 59, 2016
|
|
5L8N
| crystal structure of human FABP6 protein with fragment 1 | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DI(HYDROXYETHYL)ETHER, ... | 著者 | Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P. | 登録日 | 2016-06-08 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6). J.Med.Chem., 59, 2016
|
|
5L8I
| crystal structure of human FABP6 apo-protein | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Gastrotropin, ... | 著者 | Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P. | 登録日 | 2016-06-08 | 公開日 | 2016-08-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6). J.Med.Chem., 59, 2016
|
|
7OQD
| A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20) | 分子名称: | 3-O-sulfo-beta-D-galactopyranose, Arylsulfatase, CALCIUM ION | 著者 | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | 登録日 | 2021-06-03 | 公開日 | 2021-10-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
|
|
4XAQ
| mGluR2 ECD and mGluR3 ECD with ligands | 分子名称: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ... | 著者 | Clawson, D.K. | 登録日 | 2014-12-15 | 公開日 | 2015-02-04 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
|
|
4XAR
| mGluR2 ECD and mGluR3 ECD complex with ligands | 分子名称: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3 | 著者 | Clawson, D.K. | 登録日 | 2014-12-15 | 公開日 | 2015-02-11 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
|
|
4XAS
| mGluR2 ECD ligand complex | 分子名称: | (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2 | 著者 | Clawson, D.K. | 登録日 | 2014-12-15 | 公開日 | 2015-02-04 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
|
|
6X2J
| Structure of human TRPA1 in complex with agonist GNE551 | 分子名称: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1 | 著者 | Rohou, A, Rouge, L, Chen, H. | 登録日 | 2020-05-20 | 公開日 | 2020-11-18 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel. Neuron, 109, 2021
|
|
8J5X
| The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.09192252 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
|
|
8J5W
| The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.28041458 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
|
|
8J61
| The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.05065274 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
|
|
8J63
| The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.0005 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
|
|
5KX5
| Crystal structure of tubulin-stathmin-TTL-Compound 11 complex | 分子名称: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | 著者 | Parris, K. | 登録日 | 2016-07-20 | 公開日 | 2016-12-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design, Synthesis, and Cytotoxic Evaluation of Novel Tubulysin Analogues as ADC Payloads. ACS Med Chem Lett, 7, 2016
|
|
4JPJ
| Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6 | 著者 | Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A. | 登録日 | 2013-03-19 | 公開日 | 2013-04-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Rational HIV immunogen design to target specific germline B cell receptors. Science, 340, 2013
|
|
4JPI
| Crystal structure of a putative VRC01 germline precursor Fab | 分子名称: | GLYCEROL, Putative VRC01 germline Fab heavy chain, Putative VRC01 germline Fab light chain | 著者 | Julien, J.-P, Diwanji, D.C, Jardine, J, Schief, W.R, Wilson, I.A. | 登録日 | 2013-03-19 | 公開日 | 2013-04-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Rational HIV immunogen design to target specific germline B cell receptors. Science, 340, 2013
|
|
4JPK
| Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain eOD-GT6 in complex with a putative VRC01 germline precursor Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6, ... | 著者 | Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A. | 登録日 | 2013-03-19 | 公開日 | 2013-04-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Rational HIV immunogen design to target specific germline B cell receptors. Science, 340, 2013
|
|
3IPY
| X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor | 分子名称: | 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine, D-MALATE, Deoxycytidine kinase | 著者 | Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G. | 登録日 | 2009-08-18 | 公開日 | 2010-08-18 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3IPX
| X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor | 分子名称: | 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ... | 著者 | Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G. | 登録日 | 2009-08-18 | 公開日 | 2010-08-18 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
|
|
5HXM
| Cycloalternan-forming enzyme from Listeria monocytogenes in complex with panose | 分子名称: | Alpha-xylosidase, CALCIUM ION, CHLORIDE ION, ... | 著者 | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2016-01-31 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
|
|
7QUO
| |
5HPO
| Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose | 分子名称: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2016-01-20 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
|
|
8SMQ
| Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile. | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2023-04-26 | 公開日 | 2023-05-10 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Protein target highlights in CASP15: Analysis of models by structure providers. Proteins, 91, 2023
|
|
5MSZ
| Lytic Polysaccharide Monooxygenase AA15 from Thermobia domestica in the Cu(I) State | 分子名称: | 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15 | 著者 | Hemsworth, G.R, Sabbadin, F, Ciano, L, Henrissat, B, Dupree, P, Tryfona, T, Besser, K, Elias, L, Pesante, G, Li, Y, Dowle, A, Bates, R, Gomez, L, Hallam, R, Davies, G.J, Walton, P.H, Bruce, N.C, McQueen-Mason, S. | 登録日 | 2017-01-06 | 公開日 | 2018-02-28 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion. Nat Commun, 9, 2018
|
|
7AEL
| alpha 1-antitrypsin (C232S) complexed with GSK716 | 分子名称: | Alpha-1-antitrypsin, SULFATE ION, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide | 著者 | Chung, C. | 登録日 | 2020-09-17 | 公開日 | 2021-03-10 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin. Embo Mol Med, 13, 2021
|
|
8IV5
| Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement) | 分子名称: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | 登録日 | 2023-03-26 | 公開日 | 2023-08-16 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
|
|