6ACR
| Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | 分子名称: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | 登録日 | 2018-07-27 | 公開日 | 2019-03-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H). Chem. Pharm. Bull., 67, 2019
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4UV7
| The complex structure of extracellular domain of EGFR and GC1118A | 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, EPIDERMAL GROWTH FACTOR RECEPTOR, ... | 著者 | Yoo, J.H, Cho, H.S. | 登録日 | 2014-08-05 | 公開日 | 2015-10-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Gc1118, an Anti-Egfr Antibody with a Distinct Binding Epitope and Superior Inhibitory Activity Against High-Affinity Egfr Ligands. Mol.Cancer Ther., 15, 2016
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4ML7
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4MIR
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6ICI
| Crystal structure of human MICAL3 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, [F-actin]-monooxygenase MICAL3 | 著者 | Hwang, K.Y, Kim, J.S. | 登録日 | 2018-09-06 | 公開日 | 2020-03-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and kinetic insights into flavin-containing monooxygenase and calponin-homology domains in human MICAL3. Iucrj, 7, 2020
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6VI4
| Nanobody-Enabled Monitoring of Kappa Opioid Receptor States | 分子名称: | (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CHOLESTEROL, Kappa opioid receptor, ... | 著者 | Che, T, Roth, B.L. | 登録日 | 2020-01-11 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Nanobody-enabled monitoring of kappa opioid receptor states. Nat Commun, 11, 2020
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8T52
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8T5A
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8A1P
| HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D | 分子名称: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | 登録日 | 2022-06-01 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function. Mbio, 14, 2023
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8A1Q
| HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) | 分子名称: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... | 著者 | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | 登録日 | 2022-06-01 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function. Mbio, 14, 2023
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1A57
| THE THREE-DIMENSIONAL STRUCTURE OF A HELIX-LESS VARIANT OF INTESTINAL FATTY ACID BINDING PROTEIN, NMR, 20 STRUCTURES | 分子名称: | INTESTINAL FATTY ACID-BINDING PROTEIN | 著者 | Steele, R.A, Emmert, D.A, Kao, J, Hodsdon, M.E, Frieden, C, Cistola, D.P. | 登録日 | 1998-02-20 | 公開日 | 1998-05-27 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The three-dimensional structure of a helix-less variant of intestinal fatty acid-binding protein. Protein Sci., 7, 1998
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4WVT
| Crystal structure of XIAP-BIR2 domain complexed with ligand bound | 分子名称: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Pokross, M.E. | 登録日 | 2014-11-07 | 公開日 | 2015-03-04 | 最終更新日 | 2015-04-08 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem., 58, 2015
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4WVU
| CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND | 分子名称: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | 著者 | Pokross, M.E. | 登録日 | 2014-11-07 | 公開日 | 2015-03-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem., 58, 2015
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4WVS
| Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid | 分子名称: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | 著者 | Pokross, M.E. | 登録日 | 2014-11-07 | 公開日 | 2015-05-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem., 58, 2015
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9BCG
| Myeloid cell leukemia-1 (Mcl-1) complexed with compound | 分子名称: | 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Zhao, B, Fesik, S.W. | 登録日 | 2024-04-09 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor that Demonstrates Potent in Vivo Activities in Mouse Models of Hematological and Solid Tumors J.Med.Chem., 2024
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6Q0D
| CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | 著者 | Dranow, D.M, Davies, D.R. | 登録日 | 2019-08-01 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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6Q13
| CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ... | 著者 | Davies, D.R, Dranow, D.M. | 登録日 | 2019-08-02 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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2WL3
| crystal structure of catechol 2,3-dioxygenase | 分子名称: | CALCIUM ION, CATECHOL 2,3-DIOXYGENASE, FE (III) ION, ... | 著者 | Cho, H.J, Kim, K.J, Kang, B.S. | 登録日 | 2009-06-21 | 公開日 | 2010-09-01 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Substrate-Binding Mechanism of a Type I Extradiol Dioxygenase. J.Biol.Chem., 285, 2010
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2WL9
| Crystal structure of catechol 2,3-dioxygenase | 分子名称: | 3-METHYLCATECHOL, CATECHOL 2,3-DIOXYGENASE, FE (III) ION, ... | 著者 | Cho, H.J, Kim, K.J, Kang, B.S. | 登録日 | 2009-06-23 | 公開日 | 2010-09-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Substrate-Binding Mechanism of a Type I Extradiol Dioxygenase. J.Biol.Chem., 285, 2010
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7F1W
| X-ray crystal structure of visual arrestin complexed with inositol hexaphosphate | 分子名称: | INOSITOL HEXAKISPHOSPHATE, S-arrestin | 著者 | Kang, M, Jang, K, Eger, B.T, Ernst, O.P, Choe, H.W, Kim, Y.J. | 登録日 | 2021-06-10 | 公開日 | 2021-10-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.097 Å) | 主引用文献 | Structural evidence for visual arrestin priming via complexation of phosphoinositols. Structure, 30, 2022
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7F1X
| X-ray crystal structure of visual arrestin complexed with inositol 1,4,5-triphosphate | 分子名称: | 1,2-ETHANEDIOL, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, PENTANEDIAL, ... | 著者 | Jang, K, Kang, M, Eger, B.T, Choe, H.W, Ernst, O.P, Kim, Y.J. | 登録日 | 2021-06-10 | 公開日 | 2021-10-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural evidence for visual arrestin priming via complexation of phosphoinositols. Structure, 30, 2022
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8W77
| Human Consensus Olfactory Receptor OR52c in apo state, OR52c only | 分子名称: | Human Consensus Olfactory Receptor OR52c in apo state, receptor only,Soluble cytochrome b562 | 著者 | Choi, C.W, Bae, J, Choi, H.-J, Kim, J. | 登録日 | 2023-08-30 | 公開日 | 2023-12-20 | 実験手法 | ELECTRON MICROSCOPY (3.61 Å) | 主引用文献 | Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family. Nat Commun, 14, 2023
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8R3Z
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8V6U
| 5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking | 分子名称: | 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ... | 著者 | Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L. | 登録日 | 2023-12-03 | 公開日 | 2024-05-29 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | AlphaFold2 structures guide prospective ligand discovery. Science, 384, 2024
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8HTI
| Human Consensus Olfactory Receptor OR52c in Complex with Octanoic Acid (OCA) and G Protein | 分子名称: | Consensus Olfactory Receptor OR52c, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Choi, C.W, Bae, J, Choi, H.-J, Kim, J. | 登録日 | 2022-12-21 | 公開日 | 2023-12-20 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family. Nat Commun, 14, 2023
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