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7X7D
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BU of 7x7d by Molmil
SARS-CoV-2 Delta RBD and Nb22
分子名称: Nb22, Spike protein S1
著者Wang, Y, Ye, S.
登録日2022-03-09
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
7X7E
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BU of 7x7e by Molmil
SARS-CoV-2 RBD and Nb22
分子名称: Nb22, Spike protein S1, TETRAETHYLENE GLYCOL
著者Wang, Y, Ye, S.
登録日2022-03-09
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
5YIK
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BU of 5yik by Molmil
Structure of a Legionella effector with its substrate
分子名称: SdeA, ubiquitin
著者Feng, Y, Dong, Y, Liu, Z.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
5RG8
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BU of 5rg8 by Molmil
Crystal Structure of Kemp Eliminase HG3.17 in unbound state, 277K
分子名称: ACETATE ION, Kemp Eliminase HG3
著者Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A.
登録日2020-03-19
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
4FLH
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BU of 4flh by Molmil
Crystal structure of human PI3K-gamma in complex with AMG511
分子名称: 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-14
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
5E4H
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BU of 5e4h by Molmil
Crystal Structure of Apoenzyme Alpha-kinase Domain of Myosin-II Heavy Chain Kinase A
分子名称: Myosin-II heavy chain kinase A, ZINC ION
著者Ye, Q, Cote, G.P, Jia, Z.
登録日2015-10-06
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the Dictyostelium Myosin-II Heavy Chain Kinase A (MHCK-A) alpha-kinase domain apoenzyme reveals a novel autoinhibited conformation.
Sci Rep, 6, 2016
5E9E
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BU of 5e9e by Molmil
Crystal Structure of the Alpha-kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with AMP-PNP
分子名称: Myosin-II heavy chain kinase A, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Ye, Q, Jia, Z.
登録日2015-10-15
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Dictyostelium Myosin-II Heavy Chain Kinase A (MHCK-A) alpha-kinase domain apoenzyme reveals a novel autoinhibited conformation.
Sci Rep, 6, 2016
8QM3
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BU of 8qm3 by Molmil
formaldehyde-inhibited [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI)
分子名称: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FORMYL GROUP, ...
著者Duan, J, Hofmann, E.
登録日2023-09-21
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Insights into the Molecular Mechanism of Formaldehyde Inhibition of [FeFe]-Hydrogenases.
J.Am.Chem.Soc., 145, 2023
5DYJ
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BU of 5dyj by Molmil
Mysosin heavy chain kinase A catalytic domain mutant - D663A
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, Myosin heavy chain kinase A, ...
著者van Staalduinen, L.M, Yang, Y, Jia, Z.
登録日2015-09-24
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Dictyostelium Myosin-II Heavy Chain Kinase A (MHCK-A) alpha-kinase domain apoenzyme reveals a novel autoinhibited conformation.
Sci Rep, 6, 2016
4PJH
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BU of 4pjh by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT B-G8 TCR
分子名称: Beta-2-microglobulin, GLYCEROL, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PJ9
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BU of 4pj9 by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT TRAJ20 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PJG
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BU of 4pjg by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT B-F3-C1 TCR
分子名称: Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PJX
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BU of 4pjx by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT C-A11 TCR
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
8PVM
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BU of 8pvm by Molmil
formaldehyde-inhibited [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299D
分子名称: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FORMYL GROUP, ...
著者Duan, J, Hofmann, E, Happe, T.
登録日2023-07-18
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Insights into the Molecular Mechanism of Formaldehyde Inhibition of [FeFe]-Hydrogenases.
J.Am.Chem.Soc., 145, 2023
4PJB
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BU of 4pjb by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT B-F3-C1 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PJ5
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BU of 4pj5 by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT TRBV6-1 TCR
分子名称: Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PJI
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BU of 4pji by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT C-C10 TCR
分子名称: Beta-2-microglobulin, GLYCEROL, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
5RG5
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BU of 5rg5 by Molmil
Crystal Structure of Kemp Eliminase HG3.3b in unbound state, 277K
分子名称: ACETATE ION, Kemp Eliminase HG3, SULFATE ION
著者Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A.
登録日2020-03-19
公開日2020-07-22
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
5RGB
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BU of 5rgb by Molmil
Crystal Structure of Kemp Eliminase HG3.3b with bound transition state analogue, 277K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.3b, SULFATE ION
著者Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A.
登録日2020-03-19
公開日2020-07-22
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
5RGD
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BU of 5rgd by Molmil
Crystal Structure of Kemp Eliminase HG3.14 with bound transition state analogue, 277K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.14, SULFATE ION
著者Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A.
登録日2020-03-19
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
7YKJ
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BU of 7ykj by Molmil
Omicron RBDs bound with P3E6 Fab (one up and one down)
分子名称: P3E6 heavy chain, P3E6 light chain, Spike glycoprotein
著者Tang, B, Dang, S.
登録日2022-07-22
公開日2022-12-28
最終更新日2023-01-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
5RG7
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BU of 5rg7 by Molmil
Crystal Structure of Kemp Eliminase HG3.14 in unbound state, 277K
分子名称: Kemp Eliminase HG3, SULFATE ION
著者Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A.
登録日2020-03-19
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
4GUP
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BU of 4gup by Molmil
Structure of MHC-class I related molecule MR1
分子名称: 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ...
著者Patel, O, Le Nours, J, Rossjohn, J.
登録日2012-08-29
公開日2012-10-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献MR1 presents microbial vitamin B metabolites to MAIT cells
Nature, 491, 2012
5RGE
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BU of 5rge by Molmil
Crystal Structure of Kemp Eliminase HG3.17 with bound transition state analog, 277K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3
著者Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A.
登録日2020-03-19
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
5RG9
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BU of 5rg9 by Molmil
Crystal Structure of Kemp Eliminase HG4 in unbound state, 277K
分子名称: ACETATE ION, Kemp Eliminase HG4, SULFATE ION
著者Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A.
登録日2020-03-19
公開日2020-07-22
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020

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