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8EGI
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BU of 8egi by Molmil
X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Donkor, A.K, Musayev, F.N, Safo, M.K.
登録日2022-09-12
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease.
Molecules, 27, 2022
8B1Y
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BU of 8b1y by Molmil
STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF A 5-AZAINDAZOLE INHIBITOR
分子名称: 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Giovannoni, P, Gerace, A.
登録日2022-09-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
8GUB
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BU of 8gub by Molmil
Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-09-11
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
著者Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
登録日2022-09-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
8EFB
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BU of 8efb by Molmil
Oliceridine-bound mu-opioid receptor-Gi complex
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFO
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BU of 8efo by Molmil
PZM21-bound mu-opioid receptor-Gi complex
分子名称: CHOLESTEROL, 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Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFQ
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BU of 8efq by Molmil
DAMGO-bound mu-opioid receptor-Gi complex
分子名称: DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFI
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BU of 8efi by Molmil
Helical reconstruction of the human cardiac actin-tropomyosin-myosin complex in the rigor form
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Doran, M.H, Lehman, W, Rynkiewicz, M.J.
登録日2022-09-08
公開日2022-11-23
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Myosin loop-4 is critical for optimal tropomyosin repositioning on actin during muscle activation and relaxation.
J.Gen.Physiol., 155, 2023
8GTG
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BU of 8gtg by Molmil
Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-I-152 by XFEL
分子名称: 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1
著者Cho, H.S, Kim, H.
登録日2022-09-08
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
8GTI
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BU of 8gti by Molmil
Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C205 by XFEL
分子名称: 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1, ...
著者Cho, H.S, Kim, H.
登録日2022-09-08
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
8GTH
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BU of 8gth by Molmil
Crystal strucuture of cyt c551 from anoxygenic phototrophic bacterium Roseiflexus castenholzii
分子名称: Cytochrome c class I, HEME C
著者Min, Z.Z, Meng, H.L, Xu, X.L.
登録日2022-09-08
公開日2023-09-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A cytochrome c 551 mediates the cyclic electron transport chain of the anoxygenic phototrophic bacterium Roseiflexus castenholzii.
Plant Commun., 5, 2024
8EFE
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BU of 8efe by Molmil
Human beta-cardiac myosin II bound to ADP-MG2+ and the associated essential light chain
分子名称: ADENOSINE-5'-DIPHOSPHATE, Beta-cardiac myosin II, MAGNESIUM ION, ...
著者Doran, M.H, Lehman, W, Rynkiewicz, M.J.
登録日2022-09-08
公開日2023-01-11
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin.
J.Gen.Physiol., 155, 2023
8GTM
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BU of 8gtm by Molmil
Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C203 by XFEL
分子名称: 7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1
著者Cho, H.S, Kim, H.
登録日2022-09-08
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
8EFD
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BU of 8efd by Molmil
Human cardiac myosin II and associated essential light chain in the rigor conformation
分子名称: Beta-cardiac myosin II, Myosin light chain 1/3, skeletal muscle isoform
著者Doran, M.H, Lehman, W, Rynkiewicz, M.J.
登録日2022-09-08
公開日2023-01-11
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin.
J.Gen.Physiol., 155, 2023
8EFH
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BU of 8efh by Molmil
Helical reconstruction of the human cardiac actin-tropomyosin-myosin complex in complex with ADP-Mg2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Doran, M.H, Lehman, W, Rynkiewicz, M.J.
登録日2022-09-08
公開日2023-01-11
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin.
J.Gen.Physiol., 155, 2023
8EFJ
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BU of 8efj by Molmil
A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
分子名称: (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Park, H, Feng, Y.
登録日2022-09-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
To Be Published
8EF5
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BU of 8ef5 by Molmil
Fentanyl-bound mu-opioid receptor-Gi complex
分子名称: CHOLESTEROL, 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Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EF6
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BU of 8ef6 by Molmil
Morphine-bound mu-opioid receptor-Gi complex
分子名称: (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFL
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BU of 8efl by Molmil
SR17018-bound mu-opioid receptor-Gi complex
分子名称: 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
登録日2022-09-08
公開日2022-11-09
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8GT0
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BU of 8gt0 by Molmil
Structure of falcipain and human Stefin A complex
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ...
著者Chakraborty, S, Biswas, S.
登録日2022-09-07
公開日2023-09-13
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structure of falcipain and human Stefin A complex
To Be Published
8GT7
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BU of 8gt7 by Molmil
Structure of falcipain and human Stefin A mutant complex
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Cystatin-A, ...
著者Chakraborty, S, Biswas, S.
登録日2022-09-07
公開日2023-09-13
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structure of falcipain and human Stefin A complex
To Be Published
8EER
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BU of 8eer by Molmil
KRAS4B A146V 1-185 bound to GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 4b of the GTPase KRAS
著者Betts, L, Rossman, K.L.
登録日2022-09-07
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献KRAS4B A146V 1-185 bound to GDP
To Be Published
8GSU
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BU of 8gsu by Molmil
Crystal structure of human cardiac alpha actin (WT_ADP-Pi) in complex with fragmin F1 domain
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ...
著者Iwasa, M, Oda, T, Takeda, S.
登録日2022-09-07
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenic analysis of actin reveals the mechanism of His161 flipping that triggers ATP hydrolysis.
Front Cell Dev Biol, 11, 2023
8GT4
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BU of 8gt4 by Molmil
Crystal structure of human cardiac alpha actin Q137A mutant (AMPPNP state) in complex with fragmin F1 domain
分子名称: 1,2-ETHANEDIOL, Actin, alpha cardiac muscle 1, ...
著者Iwasa, M, Oda, T, Takeda, S.
登録日2022-09-07
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mutagenic analysis of actin reveals the mechanism of His161 flipping that triggers ATP hydrolysis.
Front Cell Dev Biol, 11, 2023
8GSW
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BU of 8gsw by Molmil
Crystal structure of human cardiac alpha actin A108G mutant (AMPPNP state) in complex with fragmin F1 domain
分子名称: 1,2-ETHANEDIOL, Actin, alpha cardiac muscle 1, ...
著者Iwasa, M, Oda, T, Takeda, S.
登録日2022-09-07
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mutagenic analysis of actin reveals the mechanism of His161 flipping that triggers ATP hydrolysis.
Front Cell Dev Biol, 11, 2023

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件を2024-07-10に公開中

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