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8P9A
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BU of 8p9a by Molmil
80S yeast ribosome in complex with Methyllissoclimide
分子名称: (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-5,5,7,8~{a}-tetramethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione, 16S ribosomal RNA, 25S ribosomal RNA, ...
著者Terrosu, S, Yusupov, M, Vanderwal, C.
登録日2023-06-05
公開日2024-11-27
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis of Differentially Halogenated Lissoclimide Analogues To Probe Ribosome E-Site Binding.
Acs Chem.Biol., 20, 2025
8SZI
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BU of 8szi by Molmil
Cryo-EM structure of PAM-free human calcium-sensing receptor CaSR-Gi complex in lipid nanodiscs
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者He, F, Wu, C, Gao, Y, Skiniotis, G.
登録日2023-05-29
公開日2024-02-07
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Allosteric modulation and G-protein selectivity of the Ca 2+ -sensing receptor.
Nature, 626, 2024
8SZF
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Cryo-EM structure of cinacalcet-bound active-state human calcium-sensing receptor CaSR in lipid nanodiscs
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, CALCIUM ION, ...
著者He, F, Wu, C, Gao, Y, Skiniotis, G.
登録日2023-05-29
公開日2024-02-07
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Allosteric modulation and G-protein selectivity of the Ca 2+ -sensing receptor.
Nature, 626, 2024
8SZG
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BU of 8szg by Molmil
Cryo-EM structure of cinacalcet-bound human calcium-sensing receptor CaSR-Gq complex in lipid nanodiscs
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者He, F, Wu, C, Gao, Y, Skiniotis, G.
登録日2023-05-29
公開日2024-02-07
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Allosteric modulation and G-protein selectivity of the Ca 2+ -sensing receptor.
Nature, 626, 2024
8SZH
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BU of 8szh by Molmil
Cryo-EM structure of cinacalcet-bound human calcium-sensing receptor CaSR-Gi complex in lipid nanodiscs
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者He, F, Wu, C, Gao, Y, Skiniotis, G.
登録日2023-05-29
公開日2024-02-07
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Allosteric modulation and G-protein selectivity of the Ca 2+ -sensing receptor.
Nature, 626, 2024
7P6S
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BU of 7p6s by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol
著者Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
登録日2021-07-17
公開日2022-03-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6T
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Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
著者Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
登録日2021-07-17
公開日2022-03-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6R
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BU of 7p6r by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
著者Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
登録日2021-07-17
公開日2022-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7WV9
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BU of 7wv9 by Molmil
Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ...
著者Xu, Z, Shao, Z.
登録日2022-02-10
公開日2022-06-15
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
5Y8W
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BU of 5y8w by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y94
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BU of 5y94 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8Z
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BU of 5y8z by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8Y
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BU of 5y8y by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8C
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BU of 5y8c by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
8P4V
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BU of 8p4v by Molmil
80S yeast ribosome in complex with HaterumaimideQ
分子名称: (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione, 18S ribosomal RNA, 25S ribosomal RNA, ...
著者Terrosu, S, Yusupov, M.
登録日2023-05-23
公開日2024-10-16
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Synthesis of Differentially Halogenated Lissoclimide Analogues To Probe Ribosome E-Site Binding.
Acs Chem.Biol., 20, 2025
8YR2
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BU of 8yr2 by Molmil
Structure of NET-Nisoxetine in outward-open state
分子名称: CHLORIDE ION, CHOLESTEROL, SODIUM ION, ...
著者Zhang, H, Xu, E.H, Jiang, Y.
登録日2024-03-20
公開日2024-05-29
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
8ZPS
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BU of 8zps by Molmil
Cryo-EM structure of prolactin-releasing peptide recognition with Gi
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(s) subunit alpha-1, ...
著者Zhao, L, Li, Y, Yuan, Q, Xu, H.E.
登録日2024-05-31
公開日2024-09-25
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Molecular mechanism of prolactin-releasing peptide recognition and signaling via its G protein-coupled receptor.
Cell Discov, 10, 2024
8ZPT
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Cryo-EM structure of prolactin-releasing peptide recognition with Gq
分子名称: Guanine nucleotide-binding protein G(324) subunit alpha-1,, 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Zhao, L, Li, Y, Yuan, Q, Xu, H.E.
登録日2024-05-31
公開日2024-09-25
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Molecular mechanism of prolactin-releasing peptide recognition and signaling via its G protein-coupled receptor.
Cell Discov, 10, 2024
6LN1
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BU of 6ln1 by Molmil
A natural inhibitor of DYRK1A for treatment of diabetes mellitus
分子名称: 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C.
登録日2019-12-28
公開日2021-10-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
9CSG
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BU of 9csg by Molmil
Human Serum Albumin Bound to Cerastecin Compound 5e
分子名称: 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid, Albumin, MYRISTIC ACID
著者Hruza, A, Klein, D.J, Ishchenko, A.
登録日2024-07-23
公開日2024-09-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
9CSI
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A. baumannii MsbA Bound to Cerastecin Compound 5
分子名称: 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ...
著者Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M.
登録日2024-07-23
公開日2024-09-04
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
著者Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7Y99
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Crystal Structure Analysis of cp2 bound BCLxl
分子名称: Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
著者Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
登録日2022-06-24
公開日2023-09-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
8K1O
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BU of 8k1o by Molmil
mycobacterial efflux pump, AMPPNP bound state
分子名称: CARDIOLIPIN, MAGNESIUM ION, Multidrug efflux system ATP-binding protein Rv1218c, ...
著者Wang, Y, Wu, F, Zhang, L, Rao, Z.
登録日2023-07-11
公開日2024-07-17
最終更新日2025-01-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of a mycobacterial ABC transporter that mediates rifampicin resistance.
Proc.Natl.Acad.Sci.USA, 121, 2024
8K1N
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mycobacterial efflux pump, substrate-bound state
分子名称: CARDIOLIPIN, Multidrug efflux system ATP-binding protein Rv1218c, Multidrug efflux system permease protein Rv1217c, ...
著者Wang, Y, Wu, F, Zhang, L, Rao, Z.
登録日2023-07-11
公開日2024-07-17
最終更新日2025-01-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of a mycobacterial ABC transporter that mediates rifampicin resistance.
Proc.Natl.Acad.Sci.USA, 121, 2024

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