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8WTJ
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BU of 8wtj by Molmil
XBB.1.5.70 spike protein in complex with ACE2
分子名称: Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Feng, L.L, Feng, L.L.
登録日2023-10-18
公開日2023-12-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.64 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
5H7P
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BU of 5h7p by Molmil
NMR structure of the Vta1NTD-Did2(176-204) complex
分子名称: Vacuolar protein sorting-associated protein VTA1, Vacuolar protein-sorting-associated protein 46
著者Shen, J, Yang, Z, Wild, C.J.
登録日2016-11-20
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR studies on the interactions between yeast Vta1 and Did2 during the multivesicular bodies sorting pathway
Sci Rep, 6, 2016
3EKO
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BU of 3eko by Molmil
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone
分子名称: 2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol, Heat shock protein HSP 90-alpha, PHOSPHATE ION
著者Gajiwala, K.S.
登録日2008-09-19
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 18, 2008
4KXF
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BU of 4kxf by Molmil
Crystal structure of NLRC4 reveals its autoinhibition mechanism
分子名称: ADENOSINE-5'-DIPHOSPHATE, NLR family CARD domain-containing protein 4, SULFATE ION
著者Chai, J, Hu, Z.
登録日2013-05-25
公開日2013-07-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of NLRC4 reveals its autoinhibition mechanism
Science, 341, 2013
3EE1
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BU of 3ee1 by Molmil
Novel fold of VirA, a type III secretion system effector protein from Shigella flexneri
分子名称: Effector protein virA
著者Davis, J.S.
登録日2008-09-03
公開日2008-12-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Novel fold of VirA, a type III secretion system effector protein from Shigella flexneri
Protein Sci., 17, 2008
5V84
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BU of 5v84 by Molmil
CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide)
分子名称: Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION
著者Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F.
登録日2017-03-21
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).
ACS Med Chem Lett, 8, 2017
1D9K
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BU of 1d9k by Molmil
CRYSTAL STRUCTURE OF COMPLEX BETWEEN D10 TCR AND PMHC I-AK/CA
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CONALBUMIN PEPTIDE, ...
著者Reinherz, E.L, Tan, K, Tang, L, Kern, P, Liu, J.-H, Xiong, Y, Hussey, R.E, Smolyar, A, Hare, B, Zhang, R, Joachimiak, A, Chang, H.-C, Wagner, G, Wang, J.-H.
登録日1999-10-28
公開日1999-12-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The crystal structure of a T cell receptor in complex with peptide and MHC class II.
Science, 286, 1999
3EKR
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BU of 3ekr by Molmil
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone
分子名称: 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, Heat shock protein HSP 90-alpha, PHOSPHATE ION
著者Gajiwala, K.S.
登録日2008-09-19
公開日2008-11-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 18, 2008
3EMG
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BU of 3emg by Molmil
Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK)
分子名称: 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide, Tyrosine-protein kinase SYK
著者Ter Haar, E.
登録日2008-09-24
公開日2008-12-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK).
Bioorg.Med.Chem.Lett., 18, 2008
8WRH
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BU of 8wrh by Molmil
SARS-CoV-2 XBB.1.5.70 in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
著者Feng, L.L, Feng, L.L.
登録日2023-10-14
公開日2023-11-29
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRL
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BU of 8wrl by Molmil
XBB.1.5 RBD in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Feng, L.L, Feng, L.L.
登録日2023-10-15
公開日2023-11-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
5DO7
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BU of 5do7 by Molmil
Crystal Structure of the Human Sterol Transporter ABCG5/ABCG8
分子名称: ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8
著者Lee, J.-Y, Kinch, L.N, Borek, D.M, Urbatsch, I.L, Xie, X.-S, Grishin, N.V, Cohen, J.C, Otwinowski, Z, Hobbs, H.H, Rosenbaum, D.M.
登録日2015-09-10
公開日2016-05-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.93 Å)
主引用文献Crystal structure of the human sterol transporter ABCG5/ABCG8.
Nature, 533, 2016
3FD6
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BU of 3fd6 by Molmil
Crystal structure of human selenophosphate synthetase 1 complex with ADP and phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wang, K.T.
登録日2008-11-25
公開日2009-09-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of catalytic intermediates of human selenophosphate synthetase 1.
J.Mol.Biol., 390, 2009
7KHR
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BU of 7khr by Molmil
Cryo-EM structure of bafilomycin A1-bound intact V-ATPase from bovine brain
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, R, Li, X.
登録日2020-10-21
公開日2021-03-17
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Molecular basis of V-ATPase inhibition by bafilomycin A1.
Nat Commun, 12, 2021
6FV2
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BU of 6fv2 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, 3C-like proteinase, GLYCEROL
著者Zhang, L, Hilgenfeld, R.
登録日2018-02-28
公開日2019-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
8ILQ
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BU of 8ilq by Molmil
Structure of SFTSV Gn-Gc heterodimer
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, Envelopment polyprotein
著者Du, S, Peng, R, Qi, J, Li, C.
登録日2023-03-04
公開日2023-09-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
8I4T
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BU of 8i4t by Molmil
Structure of the asymmetric unit of SFTSV virion
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, Envelopment polyprotein
著者Du, S, Peng, R, Qi, J, Li, C.
登録日2023-01-21
公開日2023-09-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
6NAE
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BU of 6nae by Molmil
Crystal Structure of Ebola zaire GP protein with bound ARN0074898
分子名称: (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-05
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Adamantane Carboxamides as Ebola Virus Cell Entry and Glycoprotein Inhibitors.
Acs Med.Chem.Lett., 11, 2020
8IYD
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BU of 8iyd by Molmil
Tail cap of phage lambda tail
分子名称: Tail tube protein, Tail tube terminator protein
著者Wang, J.W, Wang, C.
登録日2023-04-04
公開日2023-10-18
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
8IYK
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Tail tip conformation 1 of phage lambda tail
分子名称: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
著者Wang, J.W, Wang, C.
登録日2023-04-05
公開日2023-10-18
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
8IYL
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BU of 8iyl by Molmil
Tail tip conformation 2 of phage lambda tail
分子名称: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
著者Wang, J.W, Wang, C.
登録日2023-04-05
公開日2023-10-18
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
7UVJ
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BU of 7uvj by Molmil
Rationally Designed ED1 Epitope-Scaffold Immunogen for SARS-CoV-2
分子名称: ACETATE ION, Apolipoprotein E, DI(HYDROXYETHYL)ETHER, ...
著者Yennawar, N.H, Vishweshwaraiah, Y.L, Dokholyan, N.V.
登録日2022-05-02
公開日2022-10-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Adaptation-proof SARS-CoV-2 vaccine design.
Adv Funct Mater, 32, 2022
7RN0
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Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R
分子名称: (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, 3C-like proteinase, GLYCEROL
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
7RN1
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Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R
分子名称: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ...
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
4OV4
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BU of 4ov4 by Molmil
Isopropylmalate synthase binding with ketoisovalerate
分子名称: 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, ZINC ION
著者Zhang, Z, Wu, J, Wang, C, Zhang, P.
登録日2014-02-20
公開日2014-08-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014

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