6T6A
| Crystal structure of DYRK1A complexed with KuFal319 (compound 11) | 分子名称: | 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-10-18 | 公開日 | 2019-12-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | [ b ]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors. Molecules, 24, 2019
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6T6C
| Complex with chitin oligomer of C-type lysozyme from the upper gastrointestinal tract of Opisthocomus hoatzin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C | 著者 | Taylor, E.J, Skjot, M, Skov, L.K, Klausen, M, De Maria, L, Gippert, G.P, Turkenburg, J.P, Davies, G.J, Wilson, K.S. | 登録日 | 2019-10-18 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | The C-Type Lysozyme from the upper Gastrointestinal Tract of Opisthocomus hoatzin, the Stinkbird. Int J Mol Sci, 20, 2019
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6UPG
| Crystal structure of Mycobacterium tuberculosis CYP121 in complex with cYF-4-OMe | 分子名称: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Nguyen, R.C.D, Yang, Y, Liu, A. | 登録日 | 2019-10-17 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.393 Å) | 主引用文献 | Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121 Acs Catalysis, 10, 2020
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6UPI
| Crystal structure of Mycobacterium tuberculosis CYP121 bound with a hydroxylated intermediate of cYF-4-OMe | 分子名称: | (3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Nguyen, R.C.D, Yang, Y, Liu, A. | 登録日 | 2019-10-17 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.808 Å) | 主引用文献 | Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121 Acs Catalysis, 10, 2020
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6T5U
| KRasG12C ligand complex | 分子名称: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Phillips, C. | 登録日 | 2019-10-17 | 公開日 | 2020-02-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6T5V
| KRasG12C ligand complex | 分子名称: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Phillips, C. | 登録日 | 2019-10-17 | 公開日 | 2020-02-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6T5S
| Apo form of C-type lysozyme from the upper gastrointestinal tract of Opisthocomus hoatzin | 分子名称: | CHLORIDE ION, GLYCEROL, Lysozyme C | 著者 | Taylor, E.J, Skjot, M, Skov, L.K, Klausen, M, De Maria, L, Gippert, G.P, Turkenburg, J.P, Davies, G.J, Wilson, K.S. | 登録日 | 2019-10-17 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The C-Type Lysozyme from the upper Gastrointestinal Tract of Opisthocomus hoatzin, the Stinkbird. Int J Mol Sci, 20, 2019
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6T64
| A model of the EIAV CA-SP hexamer (C6) from Gag-deltaMA spheres assembled at pH6 | 分子名称: | Gag polyprotein | 著者 | Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M. | 登録日 | 2019-10-17 | 公開日 | 2020-01-15 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly. Plos Pathog., 16, 2020
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6T5W
| Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine Derivative (cocrystallizaton at 291 K) | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ... | 著者 | Ngo, K, Heine, A, Klebe, G. | 登録日 | 2019-10-17 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
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6T61
| A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH8 | 分子名称: | Gag polyprotein | 著者 | Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M. | 登録日 | 2019-10-17 | 公開日 | 2020-01-15 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly. Plos Pathog., 16, 2020
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6T63
| A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH6 | 分子名称: | Gag polyprotein | 著者 | Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M. | 登録日 | 2019-10-17 | 公開日 | 2020-01-15 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly. Plos Pathog., 16, 2020
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6UP7
| neurotensin receptor and arrestin2 complex | 分子名称: | ARG-ARG-PRO-TYR-ILE-LEU, Beta-arrestin-1, Neurotensin receptor type 1, ... | 著者 | Qu, Q.H, Huang, W, Masureel, M, Janetzko, J, Kobilka, B.K, Skiniotis, G. | 登録日 | 2019-10-16 | 公開日 | 2020-02-26 | 最終更新日 | 2020-06-17 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Structure of the neurotensin receptor 1 in complex with beta-arrestin 1. Nature, 579, 2020
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5QTT
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-10-16 | 公開日 | 2019-12-25 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63, 2019
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5QTU
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-10-16 | 公開日 | 2019-12-25 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63, 2019
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6L3V
| The R15G mutant of human Cx31.3/GJC3 connexin hemichannel | 分子名称: | Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol | 著者 | Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S. | 登録日 | 2019-10-15 | 公開日 | 2020-09-09 | 最終更新日 | 2020-10-14 | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | 主引用文献 | Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel. Sci Adv, 6, 2020
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6L3U
| Human Cx31.3/GJC3 connexin hemichannel in the presence of calcium | 分子名称: | CALCIUM ION, Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol | 著者 | Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S. | 登録日 | 2019-10-15 | 公開日 | 2020-09-09 | 最終更新日 | 2020-10-14 | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | 主引用文献 | Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel. Sci Adv, 6, 2020
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6L3T
| Human Cx31.3/GJC3 connexin hemichannel in the absence of calcium | 分子名称: | Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol | 著者 | Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S. | 登録日 | 2019-10-15 | 公開日 | 2020-09-09 | 最終更新日 | 2020-10-14 | 実験手法 | ELECTRON MICROSCOPY (2.34 Å) | 主引用文献 | Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel. Sci Adv, 6, 2020
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6T56
| Thrombin in Complex with Benzylamine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZYLAMINE, GLYCEROL, ... | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | 登録日 | 2019-10-15 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Thrombin in Complex with Benzylamine To Be Published
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6T5B
| KRasG12C ligand complex | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Phillips, C. | 登録日 | 2019-10-15 | 公開日 | 2020-02-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6T57
| Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | 登録日 | 2019-10-15 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative To Be Published
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6T55
| Thrombin in Complex with Methylbenzylamine | 分子名称: | 1-(4-methylphenyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | 登録日 | 2019-10-15 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Thrombin in Complex with Methylbenzylamine To Be Published
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6T53
| Thrombin in Complex with a D-Phe-Pro-p-benzylamine derivative | 分子名称: | (2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | 登録日 | 2019-10-15 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-p-benzylamine derivative To Be Published
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6T54
| Thrombin in Complex with a D-Phe-Pro-2-bromothiophene Derivative | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | 登録日 | 2019-10-15 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-2-bromothiophene Derivative To Be Published
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6T52
| Thrombin in Complex with a D-Phe-Pro-imidazole derivative | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | 登録日 | 2019-10-15 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-imidazole derivative To Be Published
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6UO9
| Human metabotropic GABA(B) receptor bound to agonist SKF97541 in its intermediate state 2 | 分子名称: | (R)-(3-aminopropyl)methylphosphinic 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 | Shaye, H, Han, G.W, Gati, C, Cherezov, V. | 登録日 | 2019-10-14 | 公開日 | 2020-06-10 | 最終更新日 | 2020-08-26 | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | 主引用文献 | Structural basis of the activation of a metabotropic GABA receptor. Nature, 584, 2020
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