8X35
 
 | | Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP, IPP, and magnesium ion (form A) | | 分子名称: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S. | | 登録日 | 2023-11-12 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato.
Chembiochem, 25, 2024
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6RML
 | | Crystal structure of TOPBP1 BRCT0,1,2 in complex with a 53BP1 phosphopeptide | | 分子名称: | 53BP1, DNA topoisomerase 2-binding protein 1 | | 著者 | Day, M, Oliver, A.W, Pearl, L.H. | | 登録日 | 2019-05-07 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
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7B2Z
 | | Notum complex with ARUK3003907 | | 分子名称: | DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ... | | 著者 | Zhao, Y, Jone, E.Y. | | 登録日 | 2020-11-28 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
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5NXD
 | | LIM Domain Kinase 2 (LIMK2) In Complex With TH-300 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3-chlorophenyl)sulfamoyl]-~{N}-(phenylmethyl)-~{N}-propyl-benzamide, LIM domain kinase 2 | | 著者 | Mathea, S, Salah, E, Hanke, T, Newman, J.A, Oerum, S, Wang, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Knapp, S. | | 登録日 | 2017-05-10 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | LIM Domain Kinase 2 (LIMK2)In Complex With TH-300
To Be Published
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5NW9
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9DR0
 | | Hare calicivirus protruding domain | | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, Hare calicivirus protruding domain | | 著者 | Reese, T, Pancera, M, Hansman, G. | | 登録日 | 2024-09-24 | | 公開日 | 2024-10-30 | | 最終更新日 | 2025-05-14 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural analysis of a non-pathogenic hare calicivirus capsid bound to a histo-blood group antigen co-factor.
J.Virol., 98, 2024
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6W50
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2020-03-12 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
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5Y25
 | | EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 | | 分子名称: | (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor | | 著者 | Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A. | | 登録日 | 2017-07-24 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | | 主引用文献 | Selective and reversible modification of kinase cysteines with chlorofluoroacetamides.
Nat.Chem.Biol., 15, 2019
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8IYX
 | | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | | 分子名称: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,Probable G-protein coupled receptor 34,YL-365 | | 著者 | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | | 登録日 | 2023-04-06 | | 公開日 | 2024-03-20 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | | 主引用文献 | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7ME9
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7QF0
 | | Crystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.2325 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CV2.2325 heavy chain, ... | | 著者 | Fernandez, I, Pederzoli, R, Rey, F.A. | | 登録日 | 2021-12-03 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
J.Exp.Med., 219, 2022
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8ZUD
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8f | | 分子名称: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | | 著者 | Zhang, Z.M, Zhou, Z.Q. | | 登録日 | 2024-06-08 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.50510085 Å) | | 主引用文献 | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
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7SEW
 | | M. tb EgtD in complex with HD6 | | 分子名称: | 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ... | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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5YCP
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9MQX
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6OO9
 | | Human CYP3A4 bound to a drug mibefradil | | 分子名称: | (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-ETHANEDIOL, Cytochrome P450 3A4, ... | | 著者 | Sevrioukova, I.F. | | 登録日 | 2019-04-22 | | 公開日 | 2019-09-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin.
Int J Mol Sci, 20, 2019
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6XIP
 | | The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2 | | 分子名称: | 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8 | | 著者 | Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-06-20 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
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8ERI
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6WLZ
 | | The V1 region of human V-ATPase in state 1 (focused refinement) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, SidK, V-type proton ATPase catalytic subunit A, ... | | 著者 | Wang, L, Wu, H, Fu, T.M. | | 登録日 | 2020-04-20 | | 公開日 | 2020-11-11 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
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6ROZ
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4XZ9
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9B2P
 | | Structure of the quorum quenching lactonase GcL D122N mutant - bimetallic metal center - C2 space group | | 分子名称: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (III) ION, ... | | 著者 | Corbella, M, Bravo, J.A, Demkiv, A.O, Calixto, A.R, Sompiyachoke, K, Bergonzi, C, Kamerlin, S.C.L, Elias, M. | | 登録日 | 2024-03-15 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Catalytic Redundancies and Conformational Plasticity Drives Selectivity and Promiscuity in Quorum Quenching Lactonases.
Jacs Au, 4, 2024
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8OVZ
 | | Crystal structure of D1228V c-MET bound by compound 16 | | 分子名称: | 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione, Hepatocyte growth factor receptor, IODIDE ION | | 著者 | Collie, G.W. | | 登録日 | 2023-04-26 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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8J2W
 | | Saccharothrix syringae photocobilins protein, dark state | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 5'-DEOXYADENOSINE, BILIVERDINE IX ALPHA, ... | | 著者 | Zhang, S, Poddar, H, Levy, W.C, Leys, D. | | 登録日 | 2023-04-15 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Photocobilins integrate B12 and bilin photochemistry for enzyme control.
Nat Commun, 15, 2024
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6ZLP
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole | | 分子名称: | 2,1,3-benzothiadiazol-4-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | 登録日 | 2020-06-30 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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