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6WBY
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BU of 6wby by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 2
分子名称: CALCIUM ION, DUF3367 domain-containing protein
著者Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
登録日2020-03-27
公開日2020-05-13
最終更新日2020-06-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
2ISH
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BU of 2ish by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form C
分子名称: Neurotoxin BoNT/A, ZINC ION
著者Brunger, A.T, Stegmann, C.M.
登録日2006-10-17
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
3DSK
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BU of 3dsk by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 1.55 A Resolution
分子名称: (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid, Cytochrome P450 74A, chloroplast, ...
著者Lee, D.S, Nioche, P, Raman, C.S.
登録日2008-07-12
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
7U4E
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BU of 7u4e by Molmil
Neuraminidase from influenza virus A/Bilthoven/17938/1969(H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Lei, R, Hernandez Garcia, A.
登録日2022-02-28
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase.
Nat Commun, 13, 2022
7U4F
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BU of 7u4f by Molmil
Neuraminidase from influenza virus A/Moscow/10/1999(H3N2)
分子名称: CALCIUM ION, Neuraminidase, SULFATE ION, ...
著者Lei, R, Hernandez Garcia, A.
登録日2022-02-28
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase.
Nat Commun, 13, 2022
6XLO
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BU of 6xlo by Molmil
Crystal structure of bRaf in complex with inhibitor
分子名称: 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf
著者Yin, J, Eigenbrot, C, Wang, W.
登録日2020-06-28
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
3DS1
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BU of 3ds1 by Molmil
HIV-1 capsid C-terminal domain mutant (E187A) in complex with an inhibitor of particle assembly (CAI)
分子名称: HIV-1 CAPSID PROTEIN, Peptide Inhibitor of capsid assembly
著者Vaney, M.-C, Igonet, S, Rey, F.A.
登録日2008-07-11
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
5N75
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BU of 5n75 by Molmil
14-3-3 sigma in complex with TAZ pS89 peptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Sijbesma, E, Leysen, S, Ottmann, C.
登録日2017-02-19
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
5N5R
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BU of 5n5r by Molmil
14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV1
分子名称: 14-3-3 protein sigma, 2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide, CHLORIDE ION, ...
著者Sijbesma, E, Leysen, S, Ottmann, C.
登録日2017-02-14
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
2Y1G
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BU of 2y1g by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted FR900098 analogue and manganese.
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
著者Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
登録日2010-12-08
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
3DS2
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BU of 3ds2 by Molmil
HIV-1 capsid C-terminal domain mutant (Y169A)
分子名称: HIV-1 CAPSID PROTEIN
著者Vaney, M.-C, Igonet, S, Rey, F.A.
登録日2008-07-11
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
3DS0
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BU of 3ds0 by Molmil
HIV-1 capsid C-terminal domain mutant (N183A) in complex with an inhibitor of particle assembly (CAI)
分子名称: HIV-1 CAPSID PROTEIN, Peptide inhibitor of capsid assembly
著者Igonet, S, Vaney, M.C, Rey, F.A.
登録日2008-07-11
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
5OG2
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BU of 5og2 by Molmil
Cu nitrite reductase serial data at varying temperatures RT 0.09MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-11
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
5OF8
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BU of 5of8 by Molmil
Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-10
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
5OFD
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BU of 5ofd by Molmil
Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-10
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
6XVP
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BU of 6xvp by Molmil
Crystal structure of Neprilysin in complex with Sampatrilat.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ...
著者Cozier, G.E, Acharya, K.R, Sharma, U.
登録日2020-01-22
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.
J.Med.Chem., 63, 2020
5OFH
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BU of 5ofh by Molmil
Cu nitrite reductase serial data at varying temperatures RT 0.15MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-11
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
3DSJ
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BU of 3dsj by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase Variant (F137L) (At-AOS(F137L), cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD at 1.60 A Resolution
分子名称: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, Cytochrome P450 74A, chloroplast, ...
著者Lee, D.S, Nioche, P, Raman, C.S.
登録日2008-07-12
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
3DS5
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BU of 3ds5 by Molmil
HIV-1 capsid C-terminal domain mutant (N183A)
分子名称: HIV-1 CAPSID PROTEIN
著者Igonet, S, Vaney, M.C, Rey, F.A.
登録日2008-07-11
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
6X6W
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BU of 6x6w by Molmil
Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
分子名称: ADP-ribosyltransferase
著者Pozharski, E.
登録日2020-05-29
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
To Be Published
6X6X
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BU of 6x6x by Molmil
Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
分子名称: ADP-ribosyltransferase, DIMETHYL SULFOXIDE, N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea, ...
著者Pozharski, E.
登録日2020-05-29
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
To Be Published
6X6V
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BU of 6x6v by Molmil
Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile in complex with NADPH
分子名称: CdtA, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Pozharski, E.
登録日2020-05-29
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile in complex with NADPH
To Be Published
3DTJ
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BU of 3dtj by Molmil
HIV-1 capsid C-terminal domain mutant (E187A)
分子名称: HIV-1 capsid protein
著者Igonet, S, Vaney, M.C, Rey, F.A.
登録日2008-07-15
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
3DSI
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BU of 3dsi by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 A resolution
分子名称: (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid, Cytochrome P450 74A, chloroplast, ...
著者Lee, D.S, Nioche, P, Raman, C.S.
登録日2008-07-12
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
5OF5
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BU of 5of5 by Molmil
Cu nitrite reductase serial data at varying temperatures
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-10
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018

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