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PDB: 21 件

8HQ4
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B27 in complex with CRM1-Ran-RanBP1
分子名称: 3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ...
著者Lei, Y, Sun, Q.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献B27 in complex with CRM1-Ran-RanBP1
To Be Published
7Y8J
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BU of 7y8j by Molmil
3D1 in complex with 6-mer HR1 peptide from SARS-CoV-2
分子名称: Spike protein S2', heavy chain of 3D1, light chain of 3D1
著者Lei, Y.
登録日2022-06-24
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Cross-reactive epitopes between HIV and Coronavirus revealed by 3D1
To Be Published
8TOO
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BU of 8too by Molmil
Crystal structure of Epstein-Barr virus gp42 in complex with antibody 4C12
分子名称: 4C12 heavy chain, 4C12 light chain, Glycoprotein 42
著者Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
登録日2023-08-03
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
8TNN
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Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with gp42 antibody A10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, A10 heavy chain, A10 light chain, ...
著者Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
登録日2023-08-02
公開日2024-03-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
8TNT
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Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with antibodies F-2-1 and 769C2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 heavy chain, 769C2 light chain, ...
著者Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
登録日2023-08-02
公開日2024-03-27
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
5YWF
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BU of 5ywf by Molmil
Crystal structure of 2H4 Fab
分子名称: 2H4 heavy chain, 2H4 light chain
著者Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z.
登録日2017-11-29
公開日2018-03-21
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
8HUG
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F1 in complex with CRM1-Ran-RanBP1
分子名称: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ...
著者Sun, Q, Lei, Y.
登録日2022-12-23
公開日2023-12-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
8HUF
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B28 in complex with CRM1-Ran-RanBP1
分子名称: 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, BROMIDE ION, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2022-12-23
公開日2023-12-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
5ZPU
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BU of 5zpu by Molmil
LFS829 in complex with CRM1-Ran-RanBP1
分子名称: (Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol, CHLORIDE ION, Exportin-1,Exportin-1, ...
著者Sun, Q, Lei, Y.
登録日2018-04-16
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献To be published
To Be Published
8HQ5
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G6 in complex with CRM1-Ran-RanBP1
分子名称: 3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献F1 in complex with CRM1-Ran-RanBP1
To Be Published
7DBG
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BU of 7dbg by Molmil
Yeast CRM1e (apo) in complex with Ran-RanBP1
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
著者Sun, Q, Lei, Y.
登録日2020-10-20
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
7C9J
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Transglutaminase from Geobacillus stearothermophilus (without C-terminal extension)
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Protein-glutamine gamma-glutamyltransferase
著者Takita, T, Mikami, B, Lei, Y, Jing, Y, Yamada, A, Yasukawa, K.
登録日2020-06-06
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Transglutaminase from Geobacillus stearothermophilus (without C-terminal extension)
To be published
6M6X
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BU of 6m6x by Molmil
Oridonin in complex with CRM1#-Ran-RanBP1
分子名称: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2020-03-16
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
6M60
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BU of 6m60 by Molmil
Plumbagin in complex with CRM1#-Ran-RanBP1
分子名称: (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Sun, Q, Lei, Y.
登録日2020-03-12
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
7CND
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BU of 7cnd by Molmil
NCI-1 in complex with CRM1-Ran-RanBP1
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
著者Sun, Q, Lei, Y.
登録日2020-07-31
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
6LQ9
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BU of 6lq9 by Molmil
S109 in complex with CRM1-Ran-RanBP1
分子名称: (3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Lei, Y.
登録日2020-01-13
公開日2021-06-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
6KYB
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BU of 6kyb by Molmil
Crystal structure of Atg18 from Saccharomyces cerevisiae
分子名称: Autophagy-related protein 18
著者Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S.
登録日2019-09-17
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae.
Cell.Mol.Life Sci., 78, 2021
7YPZ
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BU of 7ypz by Molmil
Zafirlukast in complex with CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2022-08-05
公開日2023-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
7DKM
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BU of 7dkm by Molmil
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
6JTP
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BU of 6jtp by Molmil
Crystal structure of HLA-C08 in complex with a tumor mut9m peptide
分子名称: 9-mer peptide, Beta-2-microglobulin, HLA class I antigen, ...
著者Bai, P, Zhou, Q, Wei, P, Lei, Y.
登録日2019-04-11
公開日2020-04-15
最終更新日2021-02-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
6JTO
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BU of 6jto by Molmil
Crystal structure of HLA-C05 in complex with a tumor mut10m peptide
分子名称: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Bai, P, Zhou, Q, Wei, P, Lei, Y.
登録日2019-04-11
公開日2020-04-15
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational discovery of a cancer neoepitope harboring the KRAS G12D driver mutation.
Sci China Life Sci, 2021

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件を2024-07-24に公開中

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