8WCI
 
 | | Cryo-EM structure of the inhibitor-bound Vo complex from Enterococcus hirae | | 分子名称: | CARDIOLIPIN, N,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)aniline, SODIUM ION, ... | | 著者 | Suzuki, K, Mikuriya, S, Adachi, N, Kawasaki, M, Senda, T, Moriya, T, Murata, T. | | 登録日 | 2023-09-12 | | 公開日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Novel Inhibitor of Na+-Transporting V-ATPase Suppresses VRE Colonization in Mice and Reveals the High-Resolution Structure of the Na+ Transport Pathway
To Be Published
|
|
8Z8V
 | |
4G6W
 | | Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol | | 分子名称: | 4-bromobenzene-1,2,3-triol, SULFATE ION, Thymidylate synthase | | 著者 | Celeste, L.R, Lebioda, L. | | 登録日 | 2012-07-19 | | 公開日 | 2013-07-24 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published, 2012
|
|
4GEL
 | | Crystal structure of Zucchini | | 分子名称: | 1,2-ETHANEDIOL, Mitochondrial cardiolipin hydrolase, PHOSPHATE ION, ... | | 著者 | Nishimasu, H, Fukuhara, S, Ishitani, R, Nureki, O. | | 登録日 | 2012-08-02 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.756 Å) | | 主引用文献 | Structure and function of Zucchini endoribonuclease in piRNA biogenesis
Nature, 491, 2012
|
|
8Y6I
 | | P-glycoprotein in complex with UIC2 Fab and triple elacridar molecules in nanodisc | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, ATP-dependent translocase ABCB1,mNeonGreen, CHOLESTEROL, ... | | 著者 | Hamaguchi-Suzuki, N, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Anzai, N, Senda, T, Murata, T. | | 登録日 | 2024-02-02 | | 公開日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (2.54 Å) | | 主引用文献 | Cryo-EM structure of P-glycoprotein bound to triple elacridar inhibitor molecules.
Biochem.Biophys.Res.Commun., 709, 2024
|
|
8Y6H
 | | P-glycoprotein in complex with UIC2 Fab and triple elacridar molecules in LMNG detergent | | 分子名称: | ATP-dependent translocase ABCB1,mNeonGreen, UIC2 Fab heavy chain, UIC2 Fab light chain, ... | | 著者 | Hamaguchi-Suzuki, N, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Anzai, N, Senda, T, Murata, T. | | 登録日 | 2024-02-02 | | 公開日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (2.49 Å) | | 主引用文献 | Cryo-EM structure of P-glycoprotein bound to triple elacridar inhibitor molecules.
Biochem.Biophys.Res.Commun., 709, 2024
|
|
9FBV
 | |
3E9U
 | | Crystal structure of Calx CBD2 domain | | 分子名称: | Na/Ca exchange protein | | 著者 | Wu, M, Zheng, L. | | 登録日 | 2008-08-23 | | 公開日 | 2009-01-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of CBD2 from the Drosophila Na(+)/Ca(2+) exchanger: diversity of Ca(2+) regulation and its alternative splicing modification.
J.Mol.Biol., 387, 2009
|
|
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 | | 最終更新日 | 2024-09-11 | | 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., 67, 2024
|
|
9D3E
 | | Cryo-EM structure of CCR6 bound by SQA1 and OXM2 | | 分子名称: | 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, CHOLESTEROL, Human CCR6, ... | | 著者 | Wasilko, D.J, Wu, H. | | 登録日 | 2024-08-09 | | 公開日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | Structural basis for CCR6 modulation by allosteric antagonists.
Nat Commun, 15, 2024
|
|
9D3G
 | | Cryo-EM structure of CCR6 bound by SQA1 and OXM1 | | 分子名称: | 1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide, 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, CCR6, ... | | 著者 | Wasilko, D.J, Wu, H. | | 登録日 | 2024-08-10 | | 公開日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | | 主引用文献 | Structural basis for CCR6 modulation by allosteric antagonists.
Nat Commun, 15, 2024
|
|
8Z8M
 | |
6WA1
 | |
6X3P
 | | Co-structure of BTK kinase domain with L-005298385 inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | | 著者 | Fischmann, T.O. | | 登録日 | 2020-05-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
6O1O
 | |
3NQW
 | | A metazoan ortholog of SpoT hydrolyzes ppGpp and plays a role in starvation responses | | 分子名称: | CG11900, MANGANESE (II) ION, SULFATE ION | | 著者 | Sun, D.W, Kim, H.Y, Kim, K.J, Jeon, Y.H, Chung, J. | | 登録日 | 2010-06-30 | | 公開日 | 2010-09-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A metazoan ortholog of SpoT hydrolyzes ppGpp and functions in starvation responses
Nat.Struct.Mol.Biol., 17, 2010
|
|
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
|
|
6X3N
 | | Co-structure of BTK kinase domain with L-005085737 inhibitor | | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | 著者 | Fischmann, T.O. | | 登録日 | 2020-05-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
6X3O
 | | Co-structure of BTK kinase domain with L-005191930 inhibitor | | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | 著者 | Fischmann, T.O. | | 登録日 | 2020-05-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
6WJ5
 | | Structure of human TRPA1 in complex with inhibitor GDC-0334 | | 分子名称: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | | 著者 | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | | 登録日 | 2020-04-11 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
|
|
3OH6
 | | AlkA Undamaged DNA Complex: Interrogation of a C:G base pair | | 分子名称: | 5'-D(*GP*AP*CP*AP*(BRU)P*GP*AP*AP*(BRU)P*GP*CP*C)-3', 5'-D(*GP*CP*AP*TP*TP*CP*AP*TP*GP*TP*C)-3', DNA-3-methyladenine glycosylase 2 | | 著者 | Bowman, B.R, Lee, S, Wang, S, Verdine, G.L. | | 登録日 | 2010-08-17 | | 公開日 | 2010-09-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.894 Å) | | 主引用文献 | Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010
|
|
3NRK
 | | The crystal structure of the leptospiral hypothetical protein LIC12922 | | 分子名称: | LIC12922 | | 著者 | Giuseppe, P.O, Atzingen, M.V, Nascimento, A.L.T.O, Zanchin, N.I.T, Guimaraes, B.G. | | 登録日 | 2010-06-30 | | 公開日 | 2010-11-24 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | The crystal structure of the leptospiral hypothetical protein LIC12922 reveals homology with the periplasmic chaperone SurA.
J.Struct.Biol., 173, 2011
|
|
4HKS
 | |
6OVG
 | |
6XDG
 | | Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of two neutralizing antibodies | | 分子名称: | REGN10933 antibody Fab fragment heavy chain, REGN10933 antibody Fab fragment light chain, REGN10987 antibody Fab fragment heavy chain, ... | | 著者 | Franklin, M.C, Saotome, K, Romero Hernandez, A, Zhou, Y. | | 登録日 | 2020-06-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2021-01-27 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Studies in humanized mice and convalescent humans yield a SARS-CoV-2 antibody cocktail.
Science, 369, 2020
|
|
