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8JGD
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BU of 8jgd by Molmil
GDP-bound KRAS G12C in complex with YK-8S
分子名称: (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Zhang, Z.M, Wang, R.L.
登録日2023-05-20
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.60037053 Å)
主引用文献Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
8JHL
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BU of 8jhl by Molmil
GDP-bound KRAS G12D in complex with YK-8S
分子名称: 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one, GTPase KRas, N-terminally processed, ...
著者Zhang, Z.M, Wang, R.L.
登録日2023-05-23
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.10004044 Å)
主引用文献Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
8BJU
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BU of 8bju by Molmil
HUMAN WEE1 KINASE IN COMPLEX WITH INHIBITOR 1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-2-(2-methoxy-phenyl)-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
分子名称: 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
著者Musil, D, Lan, R.
登録日2022-11-06
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
分子名称: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
7EKE
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BU of 7eke by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain F486L mutation complexed with human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
著者Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
登録日2021-04-05
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKG
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BU of 7ekg by Molmil
Structure of SARS-CoV-2 Beta variant spike receptor-binding domain complexed with human ACE2
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, Angiotensin-converting enzyme 2, ...
著者Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
登録日2021-04-05
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKC
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BU of 7ekc by Molmil
Structure of SARS-CoV-2 Gamma variant spike receptor-binding domain complexed with human ACE2
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, Angiotensin-converting enzyme 2, ...
著者Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
登録日2021-04-05
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKH
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BU of 7ekh by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain Y453F mutation complexed with human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
著者Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
登録日2021-04-05
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKF
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BU of 7ekf by Molmil
Structure of SARS-CoV-2 Alpha variant spike receptor-binding domain complexed with human ACE2
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, Angiotensin-converting enzyme 2, ...
著者Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
登録日2021-04-05
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
8D73
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BU of 8d73 by Molmil
Crystal Structure of EGFR LRTM with compound 7
分子名称: (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol, Epidermal growth factor receptor, GLYCEROL
著者Kim, J.L.
登録日2022-06-07
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer.
J.Med.Chem., 65, 2022
8D76
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BU of 8d76 by Molmil
Crystal Structure of EGFR LRTM with compound 24
分子名称: (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol, Epidermal growth factor receptor, GLYCEROL
著者Kim, J.L.
登録日2022-06-07
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer.
J.Med.Chem., 65, 2022
8DNP
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BU of 8dnp by Molmil
Human Brain Ferritin Heavy Chain
分子名称: FE (III) ION, Ferritin heavy chain
著者Tringides, M.L.
登録日2022-07-11
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献A cryo-electron microscopic approach to elucidate protein structures from human brain microsomes.
Life Sci Alliance, 6, 2023
8DNU
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BU of 8dnu by Molmil
Human Brain Glutamine Synthetase
分子名称: Glutamine synthetase, MANGANESE (II) ION
著者Tringides, M.L.
登録日2022-07-11
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献A cryo-electron microscopic approach to elucidate protein structures from human brain microsomes.
Life Sci Alliance, 6, 2023
8DNO
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BU of 8dno by Molmil
Human Brain Aldehyde Dehydrogenase 1 family, member A1
分子名称: Retinal dehydrogenase 1
著者Tringides, M.L.
登録日2022-07-11
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A cryo-electron microscopic approach to elucidate protein structures from human brain microsomes.
Life Sci Alliance, 6, 2023
8DNS
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BU of 8dns by Molmil
Human Brain Glyceraldehyde 3-phosphate dehydrogenase
分子名称: Glyceraldehyde-3-phosphate dehydrogenase
著者Tringides, M.L.
登録日2022-07-11
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献A cryo-electron microscopic approach to elucidate protein structures from human brain microsomes.
Life Sci Alliance, 6, 2023
8DNM
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BU of 8dnm by Molmil
Human Brain Dihydropyrimidinase-related protein 2
分子名称: Dihydropyrimidinase-related protein 2
著者Tringides, M.L.
登録日2022-07-11
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献A cryo-electron microscopic approach to elucidate protein structures from human brain microsomes.
Life Sci Alliance, 6, 2023
1EEF
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BU of 1eef by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG
分子名称: 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN), alpha-D-galactopyranose
著者Merritt, E.A, Hol, W.G.J.
登録日2000-01-31
公開日2000-02-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
4RE1
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BU of 4re1 by Molmil
Crystal structure of human TEAD1 and disulfide-engineered YAP
分子名称: CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog
著者Xu, Z, Zhou, Z.
登録日2014-09-21
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides.
Faseb J., 29, 2015
1FD7
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BU of 1fd7 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH BOUND LIGAND BMSC001
分子名称: HEAT-LABILE ENTEROTOXIN B CHAIN, N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE
著者Fan, E, Merritt, E.A, Pickens, J, Ahn, M, Hol, W.G.J.
登録日2000-07-19
公開日2000-08-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
1EEI
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BU of 1eei by Molmil
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYL-ALPHA-D-GALACTOSE
分子名称: 3-nitrophenyl alpha-D-galactopyranoside, PROTEIN (CHOLERA TOXIN B)
著者Merritt, E.A, Hol, W.G.J.
登録日2000-01-31
公開日2000-02-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
6LSA
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BU of 6lsa by Molmil
Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV
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, Envelope glycoprotein D, ...
著者Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
登録日2020-01-17
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
6LS9
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BU of 6ls9 by Molmil
Crystal structure of bovine herpesvirus 1 glycoprotein D
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D
著者Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
登録日2020-01-17
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
7XSC
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BU of 7xsc by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10
分子名称: P5S-2B10 Heavy chain, P5S-2B10 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Lin, Z.
登録日2022-05-13
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7Y5K
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BU of 7y5k by Molmil
Crystal structure of human CAF-1 core complex in spacegroup C2221
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, GLYCEROL, ...
著者Liu, C.P, Wang, M.Z, Xu, R.M.
登録日2022-06-17
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
7Y61
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BU of 7y61 by Molmil
Cryo-EM structure of the two CAF1LCs bound right-handed Di-tetrasome
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Yu, C, Xu, R.M.
登録日2022-06-18
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023

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