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8FRN
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Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and Zosurabalpin
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, LPS export ABC transporter permease LptG, ...
著者Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D.
登録日2023-01-07
公開日2024-01-03
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
4QXU
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Novel Inhibition Mechanism of Membrane Metalloprotease by an Exosite-Swiveling Conformational antibody
分子名称: Matrix metalloproteinase-14, SULFATE ION, anti_MT1-MMP Heavy chain, ...
著者Udi, Y, Grossman, M, Solomonov, I, Dym, O, Rozenberg, H, Moreno, v, Cuiniasse, P, Dive, V, Arroyo, A.G, Sagi, I, Israel Structural Proteomics Center (ISPC)
登録日2014-07-22
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
4QY8
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Crystal Structure of anti-MSP2 Fv fragment (mAb6D8) in complex with 3D7-MSP2 14-30
分子名称: Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2
著者Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S.
登録日2014-07-24
公開日2015-06-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.353 Å)
主引用文献Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
6V6G
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Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V6P
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Crystal structure of CTX-M-14 E166A/D240G beta-lactamase
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
3P4K
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The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution
分子名称: MAP kinase 14, Mitogen-activated protein kinase 14
著者Akella, R, Min, X, Wu, Q, Gardner, K.H, Goldsmith, E.J.
登録日2010-10-06
公開日2011-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution
Structure, 18, 2010
3P54
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Crystal Structure of the Japanese Encephalitis Virus Envelope Protein, strain SA-14-14-2.
分子名称: envelope glycoprotein
著者Luca, V.C, Nelson, C.A, AbiMansour, J.P, Diamond, M.S, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-10-07
公開日2010-12-08
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Crystal structure of the Japanese encephalitis virus envelope protein.
J.Virol., 86, 2012
1C8M
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BU of 1c8m by Molmil
REFINED CRYSTAL STRUCTURE OF HUMAN RHINOVIRUS 16 COMPLEXED WITH VP63843 (PLECONARIL), AN ANTI-PICORNAVIRAL DRUG CURRENTLY IN CLINICAL TRIALS
分子名称: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, HUMAN RHINOVIRUS 16 COAT PROTEIN, ZINC ION
著者Chakravarty, S, Bator, C.M, Pevear, D.C, Diana, G.D, Rossmann, M.G.
登録日2000-05-26
公開日2000-11-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献THE REFINED STRUCTURE OF A PICORNAVIRUS INHIBITOR CURRENTLY IN CLINICAL TRIALS, WHEN COMPLEXED WITH HUMAN RHINOVIRUS 16
to be published
4NZ2
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BU of 4nz2 by Molmil
Crystal structure of CYP2C9 in complex with an inhibitor
分子名称: (2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, Cytochrome P450 2C9, GLYCEROL, ...
著者Branden, G, Sjogren, T, Xue, Y.
登録日2013-12-11
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
4QYO
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BU of 4qyo by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 14-22
分子名称: Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2
著者Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S.
登録日2014-07-24
公開日2015-06-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.208 Å)
主引用文献Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
6V8V
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Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-12
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V83
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Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-10
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V7T
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Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-09
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
4P6F
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BU of 4p6f by Molmil
Crystal structure of the peptolide 12C bound to bacterial ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fagan, C.E, Dunham, C.M.
登録日2014-03-24
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Macrolide-Peptide Conjugates as Probes of the Path of Travel of the Nascent Peptides through the Ribosome.
Acs Chem.Biol., 9, 2014
2A68
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Crystal structure of the T. thermophilus RNA polymerase holoenzyme in complex with antibiotic rifabutin
分子名称: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ...
著者Artsimovitch, I, Vassylyeva, M.N, Svetlov, D, Svetlov, V, Perederina, A, Igarashi, N, Matsugaki, N, Wakatsuki, S, Tahirov, T.H, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-07-01
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric modulation of the RNA polymerase catalytic reaction is an essential component of transcription control by rifamycins.
Cell(Cambridge,Mass.), 122, 2005
4RQL
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Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene
分子名称: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B.
登録日2014-11-03
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RRT
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Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
分子名称: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B.
登録日2014-11-06
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
2F9Q
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Crystal Structure of Human Cytochrome P450 2D6
分子名称: Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Rowland, P.
登録日2005-12-06
公開日2005-12-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Crystal Structure of Human Cytochrome P450 2D6
J.Biol.Chem., 281, 2006
6V5E
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Crystal structure of CTX-M-14 P167S/D240G beta-lactamase
分子名称: Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-04
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
1E9X
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Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with 4-phenylimidazole
分子名称: 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M, Poulos, T.L, Waterman, M.R.
登録日2000-10-30
公開日2000-11-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors
Proc.Natl.Acad.Sci.USA, 98, 2001
1LCC
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STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS
分子名称: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ...
著者Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R.
登録日1993-03-25
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
1LCD
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STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS
分子名称: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ...
著者Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R.
登録日1993-03-25
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
6ODI
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Structure of CagY from a cryo-EM reconstruction of a T4SS
分子名称: Type IV secretion system apparatus protein CagY
著者Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D.
登録日2019-03-26
公開日2019-07-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
7QXN
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Proteasome-ZFAND5 Complex Z+A state
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-26
公開日2023-02-08
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
7QY7
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Proteasome-ZFAND5 Complex Z-A state
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023

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