8DXI
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![BU of 8dxi by Molmil](/molmil-images/mine/8dxi) | HIV-1 reverse transcriptase/rilpivirine with bound fragment [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol at multiple sites | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DXK
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![BU of 8dxk by Molmil](/molmil-images/mine/8dxk) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromopyrazole at multiple sites | 分子名称: | 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DXG
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![BU of 8dxg by Molmil](/molmil-images/mine/8dxg) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-(trifluoromethyl)pyridin-2-ol at W24 site | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-(trifluoromethyl)pyridin-2-one, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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7YP7
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![BU of 7yp7 by Molmil](/molmil-images/mine/7yp7) | apo-ADGRG2 coupled to Gs | 分子名称: | Adhesion G-protein coupled receptor G2, 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 | Liu, Z.M, Bu, R.Q, Xue, C.Y, Guo, S.C, Yuan, D.P, Xiao, P, Sun, J.P. | 登録日 | 2022-08-02 | 公開日 | 2022-08-24 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | apo-ADGRG2 coupled to Gs Nat.Chem.Biol., 2022
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8DXL
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![BU of 8dxl by Molmil](/molmil-images/mine/8dxl) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-iodopyrazole at multiple sites | 分子名称: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DX2
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![BU of 8dx2 by Molmil](/molmil-images/mine/8dx2) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-amino-3-bromopyridine at multiple sites | 分子名称: | 1,2-ETHANEDIOL, 3-bromopyridin-4-amine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DX3
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![BU of 8dx3 by Molmil](/molmil-images/mine/8dx3) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 3-bromobenzylamine in the thumb subdomain | 分子名称: | 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DXE
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![BU of 8dxe by Molmil](/molmil-images/mine/8dxe) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 2-amino-6-fluorobenzonitrile at the NNRTI adjacent site | 分子名称: | 1,2-ETHANEDIOL, 2-amino-6-fluorobenzonitrile, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DXJ
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![BU of 8dxj by Molmil](/molmil-images/mine/8dxj) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine at the NNRTI adjacent site | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8AM0
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![BU of 8am0 by Molmil](/molmil-images/mine/8am0) | Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | 分子名称: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Goncalves, M, Johnson, J.L, Roewer, K.M. | 登録日 | 2022-08-02 | 公開日 | 2023-12-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.818 Å) | 主引用文献 | Epinephrine inhibits PI3K alpha via the Hippo kinases. Cell Rep, 42, 2023
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8DWB
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8DWM
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![BU of 8dwm by Molmil](/molmil-images/mine/8dwm) | Host-guest complex of bleomycin A2 fully bound to CTTAGTTATAACTAAG | 分子名称: | BLEOMYCIN A2, COBALT (III) ION, DNA (5'-D(*CP*TP*TP*AP*GP*TP*TP*A)-3'), ... | 著者 | Georgiadis, M.M. | 登録日 | 2022-08-01 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Two distinct rotations of bithiazole DNA intercalation revealed by direct comparison of crystal structures of Co(III)•bleomycin A 2 and B 2 bound to duplex 5'-TAGTT sites. Bioorg.Med.Chem., 77, 2023
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7YON
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![BU of 7yon by Molmil](/molmil-images/mine/7yon) | Complex structure of Neuropeptide Y Y2 receptor in complex with PYY(3-36) and 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(i) subunit alpha-1, ... | 著者 | Kang, H, Park, C, Kim, J, Choi, H.-J. | 登録日 | 2022-08-01 | 公開日 | 2023-03-22 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Structural basis for Y2 receptor-mediated neuropeptide Y and peptide YY signaling. Structure, 31, 2023
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7YOO
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![BU of 7yoo by Molmil](/molmil-images/mine/7yoo) | Complex structure of Neuropeptide Y Y2 receptor in complex with NPY and 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(i) subunit alpha-1, ... | 著者 | Kang, H, Park, C, Kim, J, Choi, H.-J. | 登録日 | 2022-08-01 | 公開日 | 2023-03-22 | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | 主引用文献 | Structural basis for Y2 receptor-mediated neuropeptide Y and peptide YY signaling. Structure, 31, 2023
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7YOP
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8ALS
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7YNU
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7YNV
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8ALK
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![BU of 8alk by Molmil](/molmil-images/mine/8alk) | Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1 | 分子名称: | 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Kaspers, M.S, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V. | 登録日 | 2022-08-01 | 公開日 | 2023-04-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b. Nat Commun, 14, 2023
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8DWH
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![BU of 8dwh by Molmil](/molmil-images/mine/8dwh) | CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16 | 分子名称: | Gs-mini-Gq chimera, 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 | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | 登録日 | 2022-08-01 | 公開日 | 2022-11-02 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat.Chem.Biol., 19, 2023
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8DWG
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![BU of 8dwg by Molmil](/molmil-images/mine/8dwg) | CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382 | 分子名称: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | 登録日 | 2022-08-01 | 公開日 | 2022-11-02 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | 主引用文献 | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat.Chem.Biol., 19, 2023
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8DWC
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![BU of 8dwc by Molmil](/molmil-images/mine/8dwc) | CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | 分子名称: | Gs-mini-Gq chimera, 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 | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | 登録日 | 2022-08-01 | 公開日 | 2022-11-02 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.87 Å) | 主引用文献 | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat.Chem.Biol., 19, 2023
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8ALH
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8ALM
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8DW8
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![BU of 8dw8 by Molmil](/molmil-images/mine/8dw8) | Host-guest structure of BLMA2 partially bound to 5'-ATTAGTTATAACTAAT-3' | 分子名称: | BLEOMYCIN A2, DNA (5'-D(*AP*TP*TP*AP*GP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*CP*TP*AP*AP*T)-3'), ... | 著者 | Georgiadis, M.M. | 登録日 | 2022-07-31 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Two distinct rotations of bithiazole DNA intercalation revealed by direct comparison of crystal structures of Co(III)•bleomycin A 2 and B 2 bound to duplex 5'-TAGTT sites. Bioorg.Med.Chem., 77, 2023
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