8TZW
 
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8TZN
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6XQI
 | | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A | | 分子名称: | ASN-PRO-LEU-GLU-PHE-LEU, Protein Vpr, UV excision repair protein RAD23 homolog A, ... | | 著者 | Calero, G.C, Wu, Y, Weiss, S.C. | | 登録日 | 2020-07-09 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
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6XQJ
 | | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A | | 分子名称: | Protein Vpr,UV excision repair protein RAD23 homolog A, ZINC ION | | 著者 | Byeon, I.-J.L, Calero, G, Wu, Y, Byeon, C.H, Gronenborn, A.M. | | 登録日 | 2020-07-09 | | 公開日 | 2021-11-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
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8WUL
 | | Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | | 分子名称: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ... | | 著者 | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | | 登録日 | 2023-10-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
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8WTE
 | | Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | | 分子名称: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ... | | 著者 | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | | 登録日 | 2023-10-18 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
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8WZP
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981 | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | | 著者 | Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J. | | 登録日 | 2023-11-02 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
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8WZQ
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981 | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | | 著者 | Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J. | | 登録日 | 2023-11-02 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
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5IPD
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5IPB
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7DFT
 | | Crystal structure of Xanthomonas oryzae ClpP | | 分子名称: | ATP-dependent Clp protease proteolytic subunit, CHLORIDE ION | | 著者 | Yang, C.-G, Yang, T. | | 登録日 | 2020-11-09 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Dysregulation of ClpP by Small-Molecule Activators Used Against Xanthomonas oryzae pv. oryzae Infections.
J.Agric.Food Chem., 69, 2021
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7DFU
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5JK7
 | | The X-ray structure of the DDB1-DCAF1-Vpr-UNG2 complex | | 分子名称: | DNA damage-binding protein 1, Protein VPRBP, Protein Vpr, ... | | 著者 | Calero, G, Ahn, J, Wu, Y. | | 登録日 | 2016-04-26 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | | 主引用文献 | The DDB1-DCAF1-Vpr-UNG2 crystal structure reveals how HIV-1 Vpr steers human UNG2 toward destruction.
Nat.Struct.Mol.Biol., 23, 2016
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7DKM
 | | PHGDH covalently linked to oridonin | | 分子名称: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CHLORIDE ION, D-3-phosphoglycerate dehydrogenase, ... | | 著者 | Sun, Q, Lei, Y. | | 登録日 | 2020-11-25 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Biophysical and biochemical properties of PHGDH revealed by studies on PHGDH inhibitors.
Cell.Mol.Life Sci., 79, 2021
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5IPE
 | | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex | | 分子名称: | 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ... | | 著者 | Maize, K.M, Finzel, B.C. | | 登録日 | 2016-03-09 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
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7CVQ
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7CVO
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2MLB
 | | NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin | | 分子名称: | redesigned ubiquitin | | 著者 | Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H. | | 登録日 | 2014-02-21 | | 公開日 | 2014-10-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
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2MN4
 | | NMR solution structure of a computational designed protein based on structure template 1cy5 | | 分子名称: | Computational designed protein based on structure template 1cy5 | | 著者 | Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H. | | 登録日 | 2014-03-28 | | 公開日 | 2014-10-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
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5TZ3
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX with [1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-N-(naphthalene-2-yl)piperidine-3-carboxamide | | 分子名称: | (3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Xu, R, Aertgeerts, K. | | 登録日 | 2016-11-21 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
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5U00
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluoro-3-iodophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | | 分子名称: | MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone, ... | | 著者 | Xu, R, Aertgeerts, K. | | 登録日 | 2016-11-22 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
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5TZZ
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-bromo-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | | 分子名称: | (3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone, MAGNESIUM ION, ZINC ION, ... | | 著者 | Xu, R, Aertgeerts, K. | | 登録日 | 2016-11-22 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
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5TZA
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl-1-[(naphthalene-2-yl)carbonyl]piperidine | | 分子名称: | MAGNESIUM ION, ZINC ION, [(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone, ... | | 著者 | Xu, R, Aertgeerts, K. | | 登録日 | 2016-11-21 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
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5UOY
 | | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 16j (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | | 分子名称: | 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | | 著者 | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | | 登録日 | 2017-02-01 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
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5UWF
 | | Crystal structure of human PDE10A in complex with inhibitor 16d | | 分子名称: | 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. | | 登録日 | 2017-02-21 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
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