8TOV
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![BU of 8tov by Molmil](/molmil-images/mine/8tov) | HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | 分子名称: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17 | 著者 | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | 登録日 | 2023-08-04 | 公開日 | 2023-12-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem., 66, 2023
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8TQP
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![BU of 8tqp by Molmil](/molmil-images/mine/8tqp) | HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | 分子名称: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein | 著者 | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | 登録日 | 2023-08-08 | 公開日 | 2023-12-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem., 66, 2023
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6DUH
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![BU of 6duh by Molmil](/molmil-images/mine/6duh) | Crystal structure of HIV-1 reverse transcriptase Y181I mutant in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-06-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6DUF
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![BU of 6duf by Molmil](/molmil-images/mine/6duf) | Crystal structure of HIV-1 reverse transcriptase V106A/F227L mutant in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-06-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.963 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6UL5
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![BU of 6ul5 by Molmil](/molmil-images/mine/6ul5) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ... | 著者 | Ruiz, F.X, Pilch, A, Arnold, E. | 登録日 | 2019-10-06 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel. J.Med.Chem., 63, 2020
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8F22
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![BU of 8f22 by Molmil](/molmil-images/mine/8f22) | |
8FE8
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![BU of 8fe8 by Molmil](/molmil-images/mine/8fe8) | Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1 | 分子名称: | 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ... | 著者 | Rumrill, S, Ruiz, F.X, Arnold, E. | 登録日 | 2022-12-05 | 公開日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors. Commun Chem, 6, 2023
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6C0N
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![BU of 6c0n by Molmil](/molmil-images/mine/6c0n) | Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6C0J
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![BU of 6c0j by Molmil](/molmil-images/mine/6c0j) | Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6C0L
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![BU of 6c0l by Molmil](/molmil-images/mine/6c0l) | Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6C0R
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![BU of 6c0r by Molmil](/molmil-images/mine/6c0r) | Crystal structure of HIV-1 K103N/Y181C mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-02 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.049 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6CGF
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![BU of 6cgf by Molmil](/molmil-images/mine/6cgf) | Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-02-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6C0P
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![BU of 6c0p by Molmil](/molmil-images/mine/6c0p) | Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6C0K
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![BU of 6c0k by Molmil](/molmil-images/mine/6c0k) | Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.958 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6C0O
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![BU of 6c0o by Molmil](/molmil-images/mine/6c0o) | Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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7YDQ
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![BU of 7ydq by Molmil](/molmil-images/mine/7ydq) | Structure of PfNT1(Y190A)-GFP in complex with GSK4 | 分子名称: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein | 著者 | Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D. | 登録日 | 2022-07-04 | 公開日 | 2023-04-26 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (4.04 Å) | 主引用文献 | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1. Nat Commun, 14, 2023
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6DBL
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![BU of 6dbl by Molmil](/molmil-images/mine/6dbl) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | 分子名称: | CALCIUM ION, Molecule name: Forward strand of 12-RSS substrate DNA, Molecule name: Forward strand of 23-RSS substrate DNA, ... | 著者 | Wu, H, Liao, M, Ru, H, Mi, W. | 登録日 | 2018-05-03 | 公開日 | 2018-08-01 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (5.001 Å) | 主引用文献 | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBR
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![BU of 6dbr by Molmil](/molmil-images/mine/6dbr) | Cryo-EM structure of RAG in complex with one melted RSS and one unmelted RSS | 分子名称: | CALCIUM ION, Forward strand of melted RSS substrate DNA, Forward strand of unmelted RSS substrate DNA, ... | 著者 | Wu, H, Liao, M, Ru, H, Mi, W. | 登録日 | 2018-05-03 | 公開日 | 2018-08-01 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBQ
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![BU of 6dbq by Molmil](/molmil-images/mine/6dbq) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | 分子名称: | CALCIUM ION, Molecule name: Forward strand of 12-RSS substrate DNA, Molecule name: Forward strand of 23-RSS substrate DNA, ... | 著者 | Wu, H, Liao, M, Ru, H, Mi, W. | 登録日 | 2018-05-03 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.22 Å) | 主引用文献 | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBW
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![BU of 6dbw by Molmil](/molmil-images/mine/6dbw) | Cryo-EM structure of RAG in complex with 12-RSS substrate DNA | 分子名称: | CALCIUM ION, Forward strand of 12-RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ... | 著者 | Wu, H, Liao, M, Ru, H, Mi, W. | 登録日 | 2018-05-03 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | 主引用文献 | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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4FJQ
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![BU of 4fjq by Molmil](/molmil-images/mine/4fjq) | Crystal Structure of an alpha-Bisabolol synthase | 分子名称: | Amorpha-4,11-diene synthase | 著者 | Jianxu, L, Peng, Z. | 登録日 | 2012-06-12 | 公開日 | 2013-03-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.0001 Å) | 主引用文献 | Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency. Biochem.J., 451, 2013
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6DBT
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![BU of 6dbt by Molmil](/molmil-images/mine/6dbt) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | 分子名称: | CALCIUM ION, Forward strand of 12-RSS substrate DNA, Forward strand of 23-RSS substrate DNA, ... | 著者 | Wu, H, Liao, M, Ru, H, Mi, W. | 登録日 | 2018-05-03 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBX
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![BU of 6dbx by Molmil](/molmil-images/mine/6dbx) | Cryo-EM structure of RAG in complex with 12-RSS substrate DNA | 分子名称: | CALCIUM ION, Forward strand of 12-RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ... | 著者 | Wu, H, Liao, M, Ru, H, Mi, W. | 登録日 | 2018-05-03 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBV
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![BU of 6dbv by Molmil](/molmil-images/mine/6dbv) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | 分子名称: | CALCIUM ION, Forward strand of 12-RSS substrate DNA, Forward strand of 23-RSS substrate DNA, ... | 著者 | Wu, H, Liao, M, Ru, H, Mi, W. | 登録日 | 2018-05-03 | 公開日 | 2018-08-01 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4.291 Å) | 主引用文献 | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DJQ
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![BU of 6djq by Molmil](/molmil-images/mine/6djq) | Vps1 GTPase-BSE fusion complexed with GDP.AlF4- | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... | 著者 | Varlakhanova, N.V, Brady, T.M, Tornabene, B.A, Hosford, C.J, Chappie, J.S, Ford, M.G.J. | 登録日 | 2018-05-25 | 公開日 | 2018-08-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture. J. Cell Biol., 217, 2018
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