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3AI8
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BU of 3ai8 by Molmil
Cathepsin B in complex with the nitroxoline
分子名称: 5-nitroquinolin-8-ol, Cathepsin B
著者Renko, M, Mirkovic, B, Gobec, S, Kos, J, Turk, D.
登録日2010-05-11
公開日2011-05-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Novel mechanism of cathepsin B inhibition by antibiotic nitroxoline and related compounds
Chemmedchem, 6, 2011
8BDL
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BU of 8bdl by Molmil
VCB in complex with compound 27
分子名称: (2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-19
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
6WC9
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BU of 6wc9 by Molmil
Human open state TMEM175 in KCl
分子名称: Endosomal/lysosomal potassium channel TMEM175, POTASSIUM ION
著者Oh, S, Paknejad, N, Hite, R.K.
登録日2020-03-30
公開日2020-04-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Gating and selectivity mechanisms for the lysosomal K + channel TMEM175.
Elife, 9, 2020
8BDJ
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BU of 8bdj by Molmil
VCB in complex with compound 30
分子名称: (2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-19
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
1Z5T
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BU of 1z5t by Molmil
Crystal Structure of [d(CGCGAA(Z3dU)(Z3dU)CGCG)]2, Z3dU:5-(3-aminopropyl)-2'-deoxyuridine, in presence of thallium I.
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*(ZDU)P*(ZDU)P*CP*GP*CP*G)-3', SPERMINE, THALLIUM (I) ION
著者Moulaei, T, Maehigashi, T, Lountos, G.T, Komeda, S, Watkins, D, Stone, M.P, Marky, L.A, Li, J.S, Gold, B, Williams, L.D.
登録日2005-03-19
公開日2005-07-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of B-DNA with cations tethered in the major groove.
Biochemistry, 44, 2005
1ZEY
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BU of 1zey by Molmil
CGG A-DNA
分子名称: 5'-D(*CP*CP*CP*CP*GP*CP*GP*GP*GP*G)-3', SODIUM ION
著者Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
登録日2005-04-19
公開日2005-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1ZF6
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BU of 1zf6 by Molmil
TGG DUPLEX A-DNA
分子名称: 5'-D(*CP*CP*CP*CP*AP*TP*GP*GP*GP*G)-3', CALCIUM ION, SODIUM ION
著者Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
登録日2005-04-19
公開日2005-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3ASW
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BU of 3asw by Molmil
Structural and biochemical characterization of ClfB:ligand interactions
分子名称: Clumping factor B, Tail region derived peptide
著者Ganesh, V.K.
登録日2010-12-22
公開日2011-05-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and biochemical characterization of ClfB:ligand interactions
To be published
3APT
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BU of 3apt by Molmil
properties and crystal structure of methylenetetrahydrofolate reductase from Thermus thermophilus HB8
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
著者Yamada, K.
登録日2010-10-20
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Properties and Crystal Structure of Methylenetetrahydrofolate Reductase from Thermus thermophilus HB8.
Plos One, 6, 2011
1ZCU
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BU of 1zcu by Molmil
apo form of the 162S mutant of glycogenin
分子名称: Glycogenin-1
著者Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J.
登録日2005-04-13
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
8BBS
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BU of 8bbs by Molmil
Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor
分子名称: (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P.
登録日2022-10-14
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis.
Rsc Med Chem, 14, 2023
6WXG
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BU of 6wxg by Molmil
Cryo-EM reconstruction of VP5*/VP8* assembly from rhesus rotavirus particles - Reversed conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Intermediate capsid protein VP6, ...
著者Herrmann, T, Harrison, S.C, Jenni, S.
登録日2020-05-10
公開日2021-01-20
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Functional refolding of the penetration protein on a non-enveloped virus.
Nature, 590, 2021
6VM1
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BU of 6vm1 by Molmil
Chloroplast ATP synthase (C3, CF1FO)
分子名称: ATP synthase delta chain, chloroplastic, ATP synthase epsilon chain, ...
著者Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
登録日2020-01-27
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (7.9 Å)
主引用文献Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
3AQI
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BU of 3aqi by Molmil
H240A variant of human ferrochelatase
分子名称: CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ...
著者Lanzilotta, W.N, Medlock, A.E, Dailey, T.A, Dailey, H.A.
登録日2010-11-03
公開日2012-01-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献H240A variant of human ferrochelatase
To be published
6VP9
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BU of 6vp9 by Molmil
Cryo-EM structure of human NatB complex
分子名称: CARBOXYMETHYL COENZYME *A, MDVFM peptide, N-alpha-acetyltransferase 20, ...
著者Deng, S, Marmorstein, R.
登録日2020-02-02
公開日2020-09-23
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Molecular basis for N-terminal alpha-synuclein acetylation by human NatB.
Elife, 9, 2020
3AT0
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BU of 3at0 by Molmil
Structural and biochemical characterization of ClfB:ligand interactions
分子名称: C-terminal alpha chain peptide, Clumping factor B
著者Ganesh, V.K.
登録日2010-12-23
公開日2011-05-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical characterization of ClfB:ligand interactions
To be published
8BDO
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BU of 8bdo by Molmil
VCB in complex with compound 21
分子名称: (2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-19
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
6VMD
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BU of 6vmd by Molmil
Chloroplast ATP synthase (C1, CF1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ...
著者Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
登録日2020-01-27
公開日2020-09-09
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (4.53 Å)
主引用文献Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
3BAC
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BU of 3bac by Molmil
Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase
分子名称: DNA ligase, N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide, PHOSPHATE ION
著者Pinko, C.
登録日2007-11-07
公開日2008-11-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase
To be Published
3BI5
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BU of 3bi5 by Molmil
Crystal structures of fms1 in complex with its inhibitors
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, OCTANE 1,8-DIAMINE, Polyamine oxidase FMS1
著者Huang, Q, Hao, Q.
登録日2007-11-29
公開日2008-01-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of fms1 in complex with its inhibitors
To be Published
3BDW
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BU of 3bdw by Molmil
Human CD94/NKG2A
分子名称: NKG2-A/NKG2-B type II integral membrane protein, Natural killer cells antigen CD94
著者Sullivan, L.C, Clements, C.S.
登録日2007-11-15
公開日2008-01-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Heterodimeric Assembly of the CD94-NKG2 Receptor Family and Implications for Human Leukocyte Antigen-E Recognition
Immunity, 27, 2007
3BEO
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BU of 3beo by Molmil
A Structural Basis for the allosteric regulation of non-hydrolyzing UDP-GlcNAc 2-epimerases
分子名称: UDP-N-acetylglucosamine 2-epimerase, URIDINE-5'-DIPHOSPHATE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Velloso, L.M, Bhaskaran, S.S, Schuch, R, Fischetti, V.A, Stebbins, C.E.
登録日2007-11-19
公開日2008-02-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A structural basis for the allosteric regulation of non-hydrolysing UDP-GlcNAc 2-epimerases.
Embo Rep., 9, 2008
3BFW
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BU of 3bfw by Molmil
Crystal structure of truncated FimG (FimGt) in complex with the donor strand peptide of FimF (DSF)
分子名称: Protein fimF, Protein fimG, YTTRIUM (III) ION
著者Eidam, O, Capitani, G, Grutter, M.G.
登録日2007-11-23
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Infinite Kinetic Stability against Dissociation of Supramolecular Protein Complexes through Donor Strand Complementation
Structure, 16, 2008
3B4O
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BU of 3b4o by Molmil
Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, apo form
分子名称: ACETATE ION, Phenazine biosynthesis protein A/B
著者Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
登録日2007-10-24
公開日2008-12-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
3BA8
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BU of 3ba8 by Molmil
Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase
分子名称: 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ...
著者Pinko, C.
登録日2007-11-07
公開日2008-11-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase
To be Published

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