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6YAZ
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BU of 6yaz by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaId)5
分子名称: CC-Type2-(TaId)5
著者Scott, A.J, Brady, R.L, Woolfson, D.N.
登録日2020-03-15
公開日2021-04-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
1JMG
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BU of 1jmg by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-13
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1TVU
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BU of 1tvu by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-17
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
6ISU
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BU of 6isu by Molmil
Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3
著者Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D.
登録日2018-11-19
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
1TVV
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BU of 1tvv by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-17
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1TVW
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BU of 1tvw by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-17
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1NJE
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BU of 1nje by Molmil
THYMIDYLATE SYNTHASE WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP)
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1996-01-23
公開日1996-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase.
Biochemistry, 35, 1996
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
6IFK
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BU of 6ifk by Molmil
Cryo-EM structure of type III-A Csm-CTR1 complex, AMPPNP bound
分子名称: CTR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-20
公開日2018-12-12
最終更新日2019-01-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IG0
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BU of 6ig0 by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-CTR1, ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CTR1, MAGNESIUM ION, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-21
公開日2018-12-12
最終更新日2019-01-23
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFY
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BU of 6ify by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-CTR1
分子名称: CTR1, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-21
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
6IFL
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BU of 6ifl by Molmil
Cryo-EM structure of type III-A Csm-NTR complex
分子名称: NTR, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-20
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
7T4B
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BU of 7t4b by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c
分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T45
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BU of 7t45 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c
分子名称: (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Kankanamalage, A.C.G, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T41
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BU of 7t41 by Molmil
Structure of MERS 3CL protease in complex with inhibitor 14c
分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
8JGG
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BU of 8jgg by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, 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Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGB
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BU of 8jgb by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2
分子名称: Conorfamide-Tx2, 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Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGF
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BU of 8jgf by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: BAM8-22, 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Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
登録日2023-05-20
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8F1G
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BU of 8f1g by Molmil
Crystal structure of human WDR5 in complex with compound WM662
分子名称: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ...
著者Liu, H.
登録日2022-11-05
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
6XF5
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BU of 6xf5 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-06-15
公開日2020-09-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
6XF6
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BU of 6xf6 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-06-15
公開日2020-09-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
2G8X
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BU of 2g8x by Molmil
Escherichia coli Y209W apoprotein
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CARBONATE ION, PHOSPHATE ION, ...
著者Lee, T.T, Finer-Moore, J.S, Stroud, R.M.
登録日2006-03-03
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The role of protein dynamics in thymidylate synthase catalysis: Variants of conserved dUMP-binding Tyr-261
TO BE PUBLISHED
6PUC
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BU of 6puc by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, CHLORIDE ION, ...
著者Awad, W, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUI
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BU of 6pui by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U
分子名称: 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ...
著者Awad, W, Keller, A.N, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUH
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BU of 6puh by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less
分子名称: 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ...
著者Awad, W, Keller, A.N, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020

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