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7AJE
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BU of 7aje by Molmil
bovine ATP synthase dimer state2:state1
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
著者Spikes, T.E, Montgomery, M.G, Walker, J.E.
登録日2020-09-29
公開日2021-02-03
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJI
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BU of 7aji by Molmil
bovine ATP synthase dimer state3:state2
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
著者Spikes, T.E, Montgomery, M.G, Walker, J.E.
登録日2020-09-29
公開日2021-02-03
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (11.4 Å)
主引用文献Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJG
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BU of 7ajg by Molmil
bovine ATP synthase dimer state2:state3
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
著者Spikes, T.E, Montgomery, M.G, Walker, J.E.
登録日2020-09-29
公開日2021-02-03
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (10.7 Å)
主引用文献Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AK3
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BU of 7ak3 by Molmil
CLK1 bound with CAF052
分子名称: Dual specificity protein kinase CLK1, ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
著者Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-09-29
公開日2020-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3.
Int J Mol Sci, 21, 2020
7AJF
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BU of 7ajf by Molmil
bovine ATP synthase dimer state2:state2
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
著者Spikes, T.E, Montgomery, M.G, Walker, J.E.
登録日2020-09-29
公開日2021-02-03
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (8.45 Å)
主引用文献Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AJY
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BU of 7ajy by Molmil
Structure of DYRK1A in complex with compound 51
分子名称: 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJS
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BU of 7ajs by Molmil
Structure of DYRK1A in complex with compound 33
分子名称: 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJM
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BU of 7ajm by Molmil
Structure of DYRK1A in complex with compound 32
分子名称: DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AK2
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BU of 7ak2 by Molmil
Structure of DYRK1A in complex with compound 53
分子名称: 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJV
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BU of 7ajv by Molmil
Structure of DYRK1A in complex with compound 38
分子名称: 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJW
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BU of 7ajw by Molmil
Structure of DYRK1A in complex with compound 46
分子名称: 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7D68
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BU of 7d68 by Molmil
Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex
分子名称: Glucagon-like peptide 2 receptor, 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Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2020-09-29
公開日2020-12-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor.
Cell Res., 30, 2020
7D63
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BU of 7d63 by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Zhang, J, An, W, Ye, K.
登録日2020-09-29
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (12.3 Å)
主引用文献Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
To Be Published
7D5T
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BU of 7d5t by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Zhang, J, An, W, Ye, K.
登録日2020-09-28
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
To Be Published
7AJ4
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BU of 7aj4 by Molmil
Structure of DYRK1A in complex with compound 5
分子名称: 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ2
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BU of 7aj2 by Molmil
Structure of DYRK1A in complex with compound 3
分子名称: 4-(4-methoxyphenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ8
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BU of 7aj8 by Molmil
Structure of DYRK1A in complex with compound 25
分子名称: 4-(1-benzofuran-5-yl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ7
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BU of 7aj7 by Molmil
Structure of DYRK1A in complex with compound 16
分子名称: 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ5
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BU of 7aj5 by Molmil
Structure of DYRK1A in complex with compound 10
分子名称: 4-(1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJA
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BU of 7aja by Molmil
Structure of DYRK1A in complex with compound 28
分子名称: 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7D5U
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BU of 7d5u by Molmil
BACE2 xaperone complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
分子名称: Beta-secretase 2, N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, xaperone
著者Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2020-09-28
公開日2021-03-31
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7D5S
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BU of 7d5s by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S12, ...
著者Du, Y, Zhang, J, An, W, Ye, K.
登録日2020-09-28
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2)
To Be Published
7AII
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BU of 7aii by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR WITH BOUND MANGANESE
分子名称: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-27
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AIG
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BU of 7aig by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR
分子名称: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-27
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AIJ
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BU of 7aij by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR
分子名称: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-27
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021

222415

件を2024-07-10に公開中

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