9FFD
 
 | | STRUCTURE OF ALDO-KETO REDUCTASE 1C3 (AKR1C3) IN COMPLEX WITH AN INHIBITOR MEDS765 | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aldo-keto reductase family 1 member C3, ... | | 著者 | Frydenvang, K, Hussain, S, Mirza, O.A. | | 登録日 | 2024-05-23 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer Applications.
Acs Med.Chem.Lett., 15, 2024
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8ZMN
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9BYJ
 | | Crystal Structure of Hck in complex with the Src-family kinase inhibitor A-419259 | | 分子名称: | 1,2-ETHANEDIOL, 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, ... | | 著者 | Selzer, A.M, Alvarado, J.J, Smithgall, T.E. | | 登録日 | 2024-05-23 | | 公開日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Cocrystallization of the Src-Family Kinase Hck with the ATP-Site Inhibitor A-419259 Stabilizes an Extended Activation Loop Conformation.
Biochemistry, 2024
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8ZMF
 | | Crystal structure of an inverse agonist antipsychotic drug derivative-bound 5-HT2C | | 分子名称: | 1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562 | | 著者 | Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K. | | 登録日 | 2024-05-23 | | 公開日 | 2024-08-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 67, 2024
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8ZMG
 | | Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A | | 分子名称: | 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, Pimavanserin | | 著者 | Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K. | | 登録日 | 2024-05-23 | | 公開日 | 2024-08-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 67, 2024
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8ZM2
 | | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16 | | 分子名称: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate | | 著者 | Akai, S, Orita, T, Nomura, A, Adachi, T. | | 登録日 | 2024-05-22 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
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8ZM1
 | | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6 | | 分子名称: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | | 著者 | Akai, S, Orita, T, Nomura, A, Adachi, T. | | 登録日 | 2024-05-22 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
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9BXA
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8ZLY
 | | Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and UDP | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | | 著者 | Nakashima, R, Taguchi, A. | | 登録日 | 2024-05-21 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structural Basis of Nucleotide Selectivity in Pyruvate Kinase.
J.Mol.Biol., 436, 2024
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9FEH
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the STM957 inhibitor | | 分子名称: | Transcription factor ETV6,Guanine-N7 methyltransferase nsp14, ZINC ION, ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-pyridin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-cyano-~{N}-ethyl-4-methoxy-benzenesulfonamide | | 著者 | Zilecka, E, Klima, M, Boura, E. | | 登録日 | 2024-05-20 | | 公開日 | 2024-08-28 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structure of SARS-CoV-2 MTase nsp14 with the inhibitor STM957 reveals inhibition mechanism that is shared with a poxviral MTase VP39.
J Struct Biol X, 10, 2024
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9BUL
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9BUJ
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9FCG
 | | Medicago truncatula 5'-ProFAR isomerase (HISN3) D57N mutant in complex with PrFAR | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, chloroplastic, ... | | 著者 | Witek, W, Imiolczyk, B, Ruszkowski, M. | | 登録日 | 2024-05-15 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural, kinetic, and evolutionary peculiarities of HISN3, a plant 5'-ProFAR isomerase.
Plant Physiol Biochem., 215, 2024
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8ZJV
 | | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X. | | 登録日 | 2024-05-15 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
To Be Published
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9FCF
 | | Medicago truncatula 5'-ProFAR isomerase (HISN3) D57N mutant in complex with ProFAR | | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, chloroplastic, CHLORIDE ION, ... | | 著者 | Witek, W, Imiolczyk, B, Ruszkowski, M. | | 登録日 | 2024-05-15 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structural, kinetic, and evolutionary peculiarities of HISN3, a plant 5'-ProFAR isomerase.
Plant Physiol Biochem., 215, 2024
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9FCR
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9FBW
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9FBF
 | | VDR complex with UG-481 | | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2024-05-13 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 67, 2024
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9BRY
 | | V0-only V-ATPase in synaptophysin gene knock-out mouse brain isolated synaptic vesicles | | 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, 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, ... | | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | 登録日 | 2024-05-12 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
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9BS3
 | | Wild type DNA Ligase 1 with 5'-rG:C | | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | KanalElamparithi, B, Caglayan, M. | | 登録日 | 2024-05-12 | | 公開日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structures of LIG1 uncover the mechanism of sugar discrimination against 5'-RNA-DNA junctions during ribonucleotide excision repair.
J.Biol.Chem., 300, 2024
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9BS4
 | | DNA Ligase 1 E346A/E592A double mutant with 5'-rG:C | | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*G)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | KanalElamparithi, B, Caglayan, M. | | 登録日 | 2024-05-12 | | 公開日 | 2024-09-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structures of LIG1 uncover the mechanism of sugar discrimination against 5'-RNA-DNA junctions during ribonucleotide excision repair.
J.Biol.Chem., 300, 2024
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9BRZ
 | | V0-only V-ATPase and synaptophysin complex in mouse brain isolated synaptic vesicles | | 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, 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, ... | | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | 登録日 | 2024-05-12 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
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9BRU
 | | Intact V-ATPase State 1 in synaptophysin knock-out isolated synaptic vesicles | | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | 登録日 | 2024-05-11 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
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9BRT
 | | Intact V-ATPase State 1 and synaptophysin complex in mouse brain isolated synaptic vesicles | | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | 登録日 | 2024-05-11 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
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9BRA
 | | Intact V-ATPase State 2 and synaptophysin complex in mouse brain isolated synaptic vesicles | | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | 登録日 | 2024-05-11 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
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