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7WJ4
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BU of 7wj4 by Molmil
Structural basis for ligand binding modes of CTP synthase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, GAMMA-L-GLUTAMIC ACID, ...
著者Liu, J.L, Guo, C.J.
登録日2022-01-05
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structural basis for ligand binding modes of CTP synthase.
Proc.Natl.Acad.Sci.USA, 118, 2021
6PWC
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BU of 6pwc by Molmil
A complex structure of arrestin-2 bound to neurotensin receptor 1
分子名称: Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ...
著者Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E.
登録日2019-07-22
公開日2019-12-04
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献A complex structure of arrestin-2 bound to a G protein-coupled receptor.
Cell Res., 29, 2019
8XEP
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BU of 8xep by Molmil
Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin
分子名称: SULFATE ION, Type IV effector MavL, Ubiquitin
著者Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q.
登録日2023-12-12
公開日2024-05-01
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
5JNX
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BU of 5jnx by Molmil
The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus
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, Envelope glycoprotein, ...
著者Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N.
登録日2016-05-01
公開日2016-06-15
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (6.56 Å)
主引用文献Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection
Cell, 165, 2016
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
分子名称: DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR
著者Liu, B, Reverter, D.
登録日2020-10-09
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
分子名称: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
著者Liu, B, Reverter, D.
登録日2020-10-09
公開日2021-03-31
最終更新日2021-04-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
3E3R
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BU of 3e3r by Molmil
Crystal structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family
分子名称: CALCIUM ION, Calcyphosin
著者Dong, H.
登録日2008-08-07
公開日2008-08-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal-structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family
J.Mol.Biol., 383, 2008
4I8B
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BU of 4i8b by Molmil
Crystal Structure of Thioredoxin from Schistosoma Japonicum
分子名称: Thioredoxin
著者Wu, Q, Peng, Y, Zhao, J, Li, X, Fan, X, Zhou, X, Chen, J, Luo, Z, Shi, D.
登録日2012-12-03
公開日2013-12-04
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Expression, characterization and crystal structure of thioredoxin from Schistosoma japonicum.
Parasitology, 142, 2015
3VK6
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BU of 3vk6 by Molmil
Crystal structure of a phosphotyrosine binding domain
分子名称: E3 ubiquitin-protein ligase Hakai, ZINC ION
著者Sivaraman, J, Mukherjee, M.
登録日2011-11-09
公開日2012-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a novel phosphotyrosine-binding domain in Hakai that targets E-cadherin
Embo J., 31, 2012
4G42
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BU of 4g42 by Molmil
Structure of the Chicken MHC Class I Molecule BF2*0401 complexed to pepitde P8D
分子名称: 8-MERIC PEPTIDE P8D, Beta-2 microglobulin, MHC class I alpha chain 2
著者Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F.
登録日2012-07-16
公開日2012-11-21
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
4G43
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BU of 4g43 by Molmil
Structure of the chicken MHC class I molecule BF2*0401 complexed to P5E
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-MERIC PEPTIDE P5E, Beta-2 microglobulin, ...
著者Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F.
登録日2012-07-16
公開日2012-11-21
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
6CRL
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BU of 6crl by Molmil
HusA haemophore from Porphyromonas gingivalis
分子名称: hypothetical protein PG_2227
著者Gell, D.A, Kwan, A.H, Horne, J, Hugrass, B.M, Collins, D.A.T.
登録日2018-03-19
公開日2018-10-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis.
Nat Commun, 9, 2018
5IPC
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BU of 5ipc by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside thiophosphoramidate substrate complex
分子名称: 1,2-ETHANEDIOL, 5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-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 (1.3 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
3R9W
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BU of 3r9w by Molmil
Crystal structure of Era in complex with MgGDPNP and nucleotides 1506-1542 of 16S ribosomal RNA
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CALCIUM ION, ...
著者Tu, C, Ji, X.
登録日2011-03-26
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3R9X
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BU of 3r9x by Molmil
Crystal structure of Era in complex with MgGDPNP, nucleotides 1506-1542 of 16S ribosomal RNA, and KsgA
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GTPase Era, ...
著者Tu, C, Ji, X.
登録日2011-03-26
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
6ITA
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BU of 6ita by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-20
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6IEV
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BU of 6iev by Molmil
Crystal structure of a designed protein
分子名称: Designed protein
著者Han, M, Liao, S, Chen, Q, Liu, H.
登録日2018-09-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Selection and analyses of variants of a designed protein suggest importance of hydrophobicity of partially buried sidechains for protein stability at high temperatures.
Protein Sci., 28, 2019
1SZK
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BU of 1szk by Molmil
The structure of gamma-aminobutyrate aminotransferase mutant: E211S
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ...
著者Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Fisher, A.J, Toney, M.D.
登録日2004-04-05
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase.
Biochemistry, 44, 2005
3IEU
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BU of 3ieu by Molmil
Crystal Structure of ERA in Complex with GDP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GTP-binding protein era, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tu, C, Ji, X.
登録日2009-07-23
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of ERA in complex with the 3' end of 16S rRNA: implications for ribosome biogenesis
Proc.Natl.Acad.Sci.USA, 106, 2009
3IEV
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Crystal Structure of ERA in Complex with MgGNP and the 3' End of 16S rRNA
分子名称: 5'-R(P*AP*UP*CP*AP*CP*CP*UP*CP*CP*UP*UP*A)-3', GTP-binding protein era, MAGNESIUM ION, ...
著者Tu, C, Ji, X.
登録日2009-07-23
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of ERA in complex with the 3' end of 16S rRNA: implications for ribosome biogenesis
Proc.Natl.Acad.Sci.USA, 106, 2009
8HVX
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BU of 8hvx by Molmil
Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8IG4
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Crystal structure of SARS-Cov-2 main protease in complex with GC376
分子名称: Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
5GMZ
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Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
分子名称: (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
著者Xu, Z.H, Zhou, Z.
登録日2016-07-18
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
3NU0
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BU of 3nu0 by Molmil
Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
分子名称: (2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid, Dihydrofolate reducatase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V.
登録日2010-07-06
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011
3NTZ
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Design, Synthesis, Biological Evaluation and X-ray Crystal Structures of Novel Classical 6,5,6-tricyclicbenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
分子名称: Dihydrofolate reductase, N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V.
登録日2010-07-06
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011

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