8EGI
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![BU of 8egi by Molmil](/molmil-images/mine/8egi) | X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-09-12 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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8B1Y
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![BU of 8b1y by Molmil](/molmil-images/mine/8b1y) | STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF A 5-AZAINDAZOLE INHIBITOR | Descriptor: | 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ... | Authors: | Ferraroni, M, Giovannoni, P, Gerace, A. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones J.Mol.Struct., 1274, 2023
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8GUB
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![BU of 8gub by Molmil](/molmil-images/mine/8gub) | Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719 | Descriptor: | (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 | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-11-23 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GUE
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![BU of 8gue by Molmil](/molmil-images/mine/8gue) | Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-09-11 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids. Nat Commun, 14, 2023
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8EFB
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![BU of 8efb by Molmil](/molmil-images/mine/8efb) | Oliceridine-bound mu-opioid receptor-Gi complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EFO
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![BU of 8efo by Molmil](/molmil-images/mine/8efo) | PZM21-bound mu-opioid receptor-Gi complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EFQ
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![BU of 8efq by Molmil](/molmil-images/mine/8efq) | DAMGO-bound mu-opioid receptor-Gi complex | Descriptor: | DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EFI
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![BU of 8efi by Molmil](/molmil-images/mine/8efi) | Helical reconstruction of the human cardiac actin-tropomyosin-myosin complex in the rigor form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J. | Deposit date: | 2022-09-08 | Release date: | 2022-11-23 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Myosin loop-4 is critical for optimal tropomyosin repositioning on actin during muscle activation and relaxation. J.Gen.Physiol., 155, 2023
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8GTG
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![BU of 8gtg by Molmil](/molmil-images/mine/8gtg) | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-I-152 by XFEL | Descriptor: | 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 | Authors: | Cho, H.S, Kim, H. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser. Exp.Mol.Med., 55, 2023
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8GTI
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![BU of 8gti by Molmil](/molmil-images/mine/8gti) | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C205 by XFEL | Descriptor: | 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, ... | Authors: | Cho, H.S, Kim, H. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser. Exp.Mol.Med., 55, 2023
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8GTH
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![BU of 8gth by Molmil](/molmil-images/mine/8gth) | |
8EFE
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![BU of 8efe by Molmil](/molmil-images/mine/8efe) | Human beta-cardiac myosin II bound to ADP-MG2+ and the associated essential light chain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Beta-cardiac myosin II, MAGNESIUM ION, ... | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J. | Deposit date: | 2022-09-08 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin. J.Gen.Physiol., 155, 2023
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8GTM
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![BU of 8gtm by Molmil](/molmil-images/mine/8gtm) | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C203 by XFEL | Descriptor: | 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 | Authors: | Cho, H.S, Kim, H. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser. Exp.Mol.Med., 55, 2023
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8EFD
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![BU of 8efd by Molmil](/molmil-images/mine/8efd) | |
8EFH
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![BU of 8efh by Molmil](/molmil-images/mine/8efh) | Helical reconstruction of the human cardiac actin-tropomyosin-myosin complex in complex with ADP-Mg2+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J. | Deposit date: | 2022-09-08 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin. J.Gen.Physiol., 155, 2023
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8EFJ
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![BU of 8efj by Molmil](/molmil-images/mine/8efj) | |
8EF5
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![BU of 8ef5 by Molmil](/molmil-images/mine/8ef5) | Fentanyl-bound mu-opioid receptor-Gi complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EF6
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![BU of 8ef6 by Molmil](/molmil-images/mine/8ef6) | Morphine-bound mu-opioid receptor-Gi complex | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8EFL
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![BU of 8efl by Molmil](/molmil-images/mine/8efl) | SR17018-bound mu-opioid receptor-Gi complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2022-09-08 | Release date: | 2022-11-09 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor. Cell, 185, 2022
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8GT0
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![BU of 8gt0 by Molmil](/molmil-images/mine/8gt0) | Structure of falcipain and human Stefin A complex | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ... | Authors: | Chakraborty, S, Biswas, S. | Deposit date: | 2022-09-07 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structure of falcipain and human Stefin A complex To Be Published
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8GT7
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![BU of 8gt7 by Molmil](/molmil-images/mine/8gt7) | Structure of falcipain and human Stefin A mutant complex | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Cystatin-A, ... | Authors: | Chakraborty, S, Biswas, S. | Deposit date: | 2022-09-07 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structure of falcipain and human Stefin A complex To Be Published
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8EER
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![BU of 8eer by Molmil](/molmil-images/mine/8eer) | |
8GSU
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![BU of 8gsu by Molmil](/molmil-images/mine/8gsu) | Crystal structure of human cardiac alpha actin (WT_ADP-Pi) in complex with fragmin F1 domain | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | Authors: | Iwasa, M, Oda, T, Takeda, S. | Deposit date: | 2022-09-07 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mutagenic analysis of actin reveals the mechanism of His161 flipping that triggers ATP hydrolysis. Front Cell Dev Biol, 11, 2023
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8GT4
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![BU of 8gt4 by Molmil](/molmil-images/mine/8gt4) | Crystal structure of human cardiac alpha actin Q137A mutant (AMPPNP state) in complex with fragmin F1 domain | Descriptor: | 1,2-ETHANEDIOL, Actin, alpha cardiac muscle 1, ... | Authors: | Iwasa, M, Oda, T, Takeda, S. | Deposit date: | 2022-09-07 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Mutagenic analysis of actin reveals the mechanism of His161 flipping that triggers ATP hydrolysis. Front Cell Dev Biol, 11, 2023
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8GSW
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![BU of 8gsw by Molmil](/molmil-images/mine/8gsw) | Crystal structure of human cardiac alpha actin A108G mutant (AMPPNP state) in complex with fragmin F1 domain | Descriptor: | 1,2-ETHANEDIOL, Actin, alpha cardiac muscle 1, ... | Authors: | Iwasa, M, Oda, T, Takeda, S. | Deposit date: | 2022-09-07 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mutagenic analysis of actin reveals the mechanism of His161 flipping that triggers ATP hydrolysis. Front Cell Dev Biol, 11, 2023
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