2CCD
 
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8I0A
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8JJB
 | | Crystal structure of T2R-TTL-Y61 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Yang, J. | | 登録日 | 2023-05-30 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
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8JJC
 | | Tubulin-Y62 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ... | | 著者 | Yang, J. | | 登録日 | 2023-05-30 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
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2EW7
 | | Crystal Structure of Helicobacter Pylori peptide deformylase | | 分子名称: | COBALT (II) ION, peptide deformylase | | 著者 | Cai, J. | | 登録日 | 2005-11-02 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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2EW5
 | | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | | 分子名称: | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase | | 著者 | Cai, J. | | 登録日 | 2005-11-02 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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2FOI
 | | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. | | 分子名称: | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | | 著者 | Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C. | | 登録日 | 2006-01-13 | | 公開日 | 2007-01-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy.
J.Biol.Chem., 282, 2007
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8V7L
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 2) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | | 著者 | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | 登録日 | 2023-12-04 | | 公開日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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8V6V
 | | Cryo-EM structure of doubly-bound SNF2h-nucleosome complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | | 著者 | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | 登録日 | 2023-12-03 | | 公開日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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8V4Y
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 1) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Histone H2A type 1, ... | | 著者 | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | 登録日 | 2023-11-29 | | 公開日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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8XOK
 | | Cryo-EM structure of human ABCC4 | | 分子名称: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, PALMITIC ACID | | 著者 | Zhang, P.F, Liu, Z. | | 登録日 | 2024-01-01 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | | 主引用文献 | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 2024
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8UVO
 | | Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC804515) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, N-[3-(2,5-difluoro-4-{[(4M)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide, Transitional endoplasmic reticulum ATPase | | 著者 | Nandi, P, DeVore, K, Chiu, P.-L. | | 登録日 | 2023-11-03 | | 公開日 | 2024-08-21 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
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8UVQ
 | | Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/down) | | 分子名称: | 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Nandi, P, DeVore, K, Chiu, P.-L. | | 登録日 | 2023-11-03 | | 公開日 | 2024-08-21 | | 実験手法 | ELECTRON MICROSCOPY (3.42 Å) | | 主引用文献 | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
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8UVP
 | | Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/up) | | 分子名称: | 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Nandi, P, DeVore, K, Chiu, P.-L. | | 登録日 | 2023-11-03 | | 公開日 | 2024-08-21 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
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8UV2
 | | Human p97/VCP structure with a triazole inhibitor (NSC799462/hexamer) | | 分子名称: | 3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Nandi, P, DeVore, K, Chiu, P.-L. | | 登録日 | 2023-11-02 | | 公開日 | 2024-08-21 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
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8XOL
 | | Cryo-EM structure of human ABCC4 with ANP bound in NBD1 | | 分子名称: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ... | | 著者 | Zhang, P.F, Liu, Z. | | 登録日 | 2024-01-01 | | 公開日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | | 主引用文献 | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 2024
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8XOM
 | | Cryo-EM structure of human ABCC4 in complex with ANP-bound in NBD1 and METHOTREXATE | | 分子名称: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ... | | 著者 | Zhang, P.F, Liu, Z. | | 登録日 | 2024-01-01 | | 公開日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport.
Febs Lett., 2024
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3TGU
 | | Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ... | | 著者 | Huang, L.-S, Yang, G.-F, Berry, E.A. | | 登録日 | 2011-08-17 | | 公開日 | 2012-07-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex.
J.Am.Chem.Soc., 134, 2012
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2EW6
 | | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | | 分子名称: | (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase | | 著者 | Cai, J. | | 登録日 | 2005-11-02 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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6DRT
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6DT1
 | | Crystal structure of the ligase from bacteriophage T4 complexed with DNA intermediate | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | | 著者 | Shi, K, Aihara, H. | | 登録日 | 2018-06-14 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | T4 DNA ligase structure reveals a prototypical ATP-dependent ligase with a unique mode of sliding clamp interaction.
Nucleic Acids Res., 46, 2018
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7Y3O
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody BIOLS56 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, Light chain of BIOLS56, ... | | 著者 | Rao, X, Gao, F, Wu, Y, Gao, F. | | 登録日 | 2022-06-11 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7VNQ
 | | Structure of human KCNQ4-ML213 complex in nanodisc | | 分子名称: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ... | | 著者 | Xu, F, Zheng, Y. | | 登録日 | 2021-10-11 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
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7VNR
 | | Structure of human KCNQ4-ML213 complex in digitonin | | 分子名称: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ... | | 著者 | Xu, F, Zheng, Y. | | 登録日 | 2021-10-11 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
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7VNP
 | | Structure of human KCNQ4-ML213 complex with PIP2 | | 分子名称: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ... | | 著者 | Xu, F, Zheng, Y. | | 登録日 | 2021-10-11 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | | 主引用文献 | Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
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