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3DP3
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BU of 3dp3 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DOZ
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BU of 3doz by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3k
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
8CEG
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BU of 8ceg by Molmil
BAR domain protein FAM92A1 essential for mitochondrial membrane remodeling
分子名称: CBY1-interacting BAR domain-containing protein 1
著者Kajander, T, Fudo, S, Yan, Z, Zhao, H.
登録日2023-02-01
公開日2024-02-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Membrane remodeling by FAM92A1 during brain development regulates neuronal morphology, synaptic function, and cognition.
Nat Commun, 15, 2024
4MO7
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BU of 4mo7 by Molmil
Crystal structure of superantigen PfiT
分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Transcriptional regulator I2
著者Liu, L.H, Chen, H, Li, H.M.
登録日2013-09-11
公開日2014-02-05
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
3DP1
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BU of 3dp1 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3n
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP0
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BU of 3dp0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3m
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
5VYG
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BU of 5vyg by Molmil
Crystal structure of hFA9 EGF repeat with O-glucose trisaccharide
分子名称: CALCIUM ION, Coagulation factor IX, alpha-D-xylopyranose-(1-3)-alpha-D-xylopyranose-(1-3)-beta-D-glucopyranose
著者Yu, H.J, Li, H.L.
登録日2017-05-25
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献O-Glycosylation modulates the stability of epidermal growth factor-like repeats and thereby regulates Notch trafficking
J. Biol. Chem., 292, 2017
3DP2
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BU of 3dp2 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3j
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
4MOD
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BU of 4mod by Molmil
Structure of the MERS-CoV fusion core
分子名称: HR1 of S protein, LINKER, HR2 of S protein
著者Gao, J, Lu, G, Qi, J, Li, Y, Wu, Y, Deng, Y, Geng, H, Xiao, H, Tan, W, Yan, J, Gao, G.F.
登録日2013-09-12
公開日2013-10-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structure of the fusion core and inhibition of fusion by a heptad repeat peptide derived from the S protein of Middle East respiratory syndrome coronavirus.
J.Virol., 87, 2013
6IMB
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BU of 6imb by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X, Su, H, Xu, Y.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMI
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BU of 6imi by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X, Su, H, Xu, Y.
登録日2018-10-23
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMD
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BU of 6imd by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X, Su, H, Xu, Y.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IG9
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BU of 6ig9 by Molmil
Tra1 subunit from Saccharomyces cerevisiae SAGA complex
分子名称: Transcription-associated protein 1
著者Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
登録日2018-09-25
公開日2019-05-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Architecture ofSaccharomyces cerevisiaeSAGA complex.
Cell Discov, 5, 2019
5CUQ
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BU of 5cuq by Molmil
Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase
分子名称: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, Nonstructural protein NS5
著者Brecher, B, Chen, H, Li, Z, Banavali, N.K, Jones, S.A, Zhang, J, Kramer, L.D, Li, H.M.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Identification and Characterization of Novel Broad-Spectrum Inhibitors of the Flavivirus Methyltransferase.
Acs Infect Dis., 1, 2015
6U8Y
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BU of 6u8y by Molmil
Structure of the membrane-bound sulfane sulfur reductase (MBS), an archaeal respiratory membrane complex
分子名称: DUF4040 domain-containing protein, IRON/SULFUR CLUSTER, Monovalent cation/H+ antiporter subunit B, ...
著者Yu, H.J, Li, H.L.
登録日2019-09-06
公開日2020-09-09
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the respiratory MBS complex reveals iron-sulfur cluster catalyzed sulfane sulfur reduction in ancient life.
Nat Commun, 11, 2020
3LKZ
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BU of 3lkz by Molmil
Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase
分子名称: GLYCEROL, Non-structural protein 5, SINEFUNGIN
著者Liu, L.H, Li, H.M.
登録日2010-01-28
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase.
J.Biol.Chem., 285, 2010
6JAU
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BU of 6jau by Molmil
The complex structure of Pseudomonas aeruginosa MucA/MucB.
分子名称: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R.
登録日2019-01-25
公開日2020-01-29
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa.
Commun Biol, 3, 2020
6JJ3
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BU of 6jj3 by Molmil
BRD4 in complex with 138A
分子名称: 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
5C94
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BU of 5c94 by Molmil
Infectious bronchitis virus nsp9
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-structural protein 9
著者Chen, C, Dou, Y, Yang, H, Su, D.
登録日2015-06-26
公開日2016-06-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.438 Å)
主引用文献Structural basis for dimerization and RNA binding of avian infectious bronchitis virus nsp9.
Protein Sci., 26, 2017
1FAH
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BU of 1fah by Molmil
STRUCTURE OF CYTOCHROME P450
分子名称: CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE
著者Li, H.Y, Poulos, T.L.
登録日1996-08-01
公開日1997-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The role of Thr268 in oxygen activation of cytochrome P450BM-3.
Biochemistry, 34, 1995
6XCJ
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BU of 6xcj by Molmil
Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ...
著者Raymond, D.D, Chug, H, Harrison, S.C.
登録日2020-06-08
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
7ZMO
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BU of 7zmo by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-052
分子名称: ATP-dependent DNA helicase Q5, Gluebody G3-052, SULFATE ION, ...
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
7ZMV
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BU of 7zmv by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G5-006
分子名称: ATP-dependent DNA helicase Q5, Gluebody G5-006, SULFATE ION, ...
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
7ZMT
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BU of 7zmt by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G5-006
分子名称: ATP-dependent DNA helicase Q5, Gluebody G5-006, ZINC ION
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published
7ZMP
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BU of 7zmp by Molmil
Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G3-055
分子名称: ATP-dependent DNA helicase Q5, Gluebody G3-055, ZINC ION
著者Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F.
登録日2022-04-19
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.626 Å)
主引用文献Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts
To Be Published

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