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3ACY
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BU of 3acy by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702
分子名称: (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
4I88
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BU of 4i88 by Molmil
R107G HSP16.5
分子名称: Small heat shock protein HSP16.5
著者Pohl, E, Williamson, I.R, Quinlan, R.A.
登録日2012-12-03
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Changes in the quaternary structure and function of MjHSP16.5 attributable to deletion of the IXI motif and introduction of the substitution, R107G, in the alpha-crystallin domain.
PHILOS.TRANS.R.SOC.LOND.B BIOL.SCI., 368, 2013
4I1Y
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BU of 4i1y by Molmil
The structure of Cysteine synthase from Mycobacterium ulcerans Agy99
分子名称: CHLORIDE ION, Cysteine synthase, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-11-21
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
5XGR
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BU of 5xgr by Molmil
Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
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 protein S1
著者Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F.
登録日2017-04-16
公開日2017-05-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Virology, 507, 2017
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
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
6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6R
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BU of 6c6r by Molmil
Human Squalene Epoxidase (SQLE, Squalene Monooxygenase) structure with FAD
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
8XIF
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BU of 8xif by Molmil
The crystal structure of the AEP domain of VACV D5
分子名称: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
著者Gan, J, Zhang, W.
登録日2023-12-19
公開日2024-05-01
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8XIG
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BU of 8xig by Molmil
The crystal structure of the AEP domain of MPXV E5
分子名称: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
著者Gan, J, Zhang, W.
登録日2023-12-19
公開日2024-05-01
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
5ZNT
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BU of 5znt by Molmil
Insect chitin deacetylase
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, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
5ZNS
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BU of 5zns by Molmil
Insect chitin deacetylase
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, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
分子名称: 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
登録日2020-05-08
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
著者Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
登録日2022-09-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
8ZC3
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BU of 8zc3 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.69 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
6C6P
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BU of 6c6p by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598
分子名称: (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
7CA8
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BU of 7ca8 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
登録日2020-06-08
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Sci Bull (Beijing), 66, 2021
6B7Q
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BU of 6b7q by Molmil
Crystal structure of Legionella effector protein sdeA (lpg2157) aa. 211-910
分子名称: MERCURY (II) ION, SdeA
著者Mao, Y, Akturk, A, Wasilko, J.
登録日2017-10-04
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018
5XUP
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BU of 5xup by Molmil
Crystal structure of TRF1 and TERB1
分子名称: Telomere repeats-binding bouquet formation protein 1, Telomeric repeat-binding factor 1
著者Long, J, Huang, C, Wu, J, Lei, M.
登録日2017-06-24
公開日2017-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Telomeric TERB1-TRF1 interaction is crucial for male meiosis.
Nat. Struct. Mol. Biol., 24, 2017
5XOB
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BU of 5xob by Molmil
Crystal structure of apo TiaS (tRNAIle2 agmatidine synthetase)
分子名称: MAGNESIUM ION, ZINC ION, tRNA(Ile2) 2-agmatinylcytidine synthetase TiaS
著者Dong, J.
登録日2017-05-27
公開日2018-08-29
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
3G0F
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BU of 3g0f by Molmil
KIT kinase domain mutant D816H in complex with sunitinib
分子名称: Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, SULFATE ION
著者Gajiwala, K.S, Wu, J.C, Lunney, E.A, Demetri, G.D.
登録日2009-01-27
公開日2009-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
5Y3X
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BU of 5y3x by Molmil
Crystal structure of endo-1,4-beta-xylanase from Caldicellulosiruptor owensensis
分子名称: Beta-xylanase
著者Liu, X, Sun, L.C, Zhang, Y.B, Liu, T.F, Xin, F.J.
登録日2017-07-31
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into the Thermophilic Adaption Mechanism of Endo-1,4-beta-Xylanase from Caldicellulosiruptor owensensis.
J. Agric. Food Chem., 66, 2018
5YNW
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BU of 5ynw by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with DMASPP and INN
分子名称: 3-[(Z)-2-isocyanoethenyl]-1H-indole, DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, ...
著者Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-10-25
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
5Y2G
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Structure of MBP tagged GBS CAMP
分子名称: Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Jin, T, Li, Y.
登録日2017-07-25
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019

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