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5UWM
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BU of 5uwm by Molmil
Matrix metalloproteinase-13 complexed with selective inhibitor compound (R)-17a
分子名称: (R)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide, CALCIUM ION, Collagenase 3, ...
著者Taylor, A.B, Cao, X, Hart, P.J.
登録日2017-02-21
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
J. Med. Chem., 60, 2017
4BJK
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BU of 4bjk by Molmil
CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide
分子名称: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide, LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2013-04-18
公開日2013-09-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Rational Development of 4-Aminopyridyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 as Anti-Chagas Agents.
J.Med.Chem., 56, 2013
4D2K
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BU of 4d2k by Molmil
Crystal structure of DREP2 CIDE domain
分子名称: DREP2
著者Jang, T.H, Park, H.H, Kim, Y.G, Jeong, J.H.
登録日2014-05-12
公開日2015-05-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献CIDE domains form functionally important higher-order assemblies for DNA fragmentation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XPC
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BU of 5xpc by Molmil
Crystal Structure of Drep4 CIDE domain
分子名称: DNAation factor-related protein 4, GLYCEROL
著者Park, H.H, Jeong, J.H.
登録日2017-06-01
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献CIDE domains form functionally important higher-order assemblies for DNA fragmentation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7T1H
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BU of 7t1h by Molmil
Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU281445
分子名称: (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, Pantothenate kinase CAB1
著者Gihaz, S, Ben Mamoun, C.
登録日2021-12-01
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
7T1G
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BU of 7t1g by Molmil
Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385595
分子名称: (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine, Pantothenate kinase CAB1
著者Gihaz, S, Ben Mamoun, C.
登録日2021-12-01
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
7T1I
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BU of 7t1i by Molmil
Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385597
分子名称: (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Gihaz, S, Ben Mamoun, C.
登録日2021-12-02
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
2BQ3
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BU of 2bq3 by Molmil
DNA Adduct Bypass Polymerization by Sulfolobus solfataricus Dpo4. Analysis and Crystal Structures of Multiple Base-Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine
分子名称: 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*A)-3', 5'-D(*TP*CP*AP*TP*GNEP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', CALCIUM ION, ...
著者Irimia, A, Loukachevitch, L.V, Egli, M.
登録日2005-04-27
公開日2005-06-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA Adduct Bypass Polymerization by Sulfolobus Solfataricus DNA Polymerase Dpo4: Analysis and Crystal Structures of Multiple Base Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine.
J.Biol.Chem., 280, 2005
2BR0
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BU of 2br0 by Molmil
DNA Adduct Bypass Polymerization by Sulfolobus solfataricus Dpo4. Analysis and Crystal Structures of Multiple Base-Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3', 5'-D(*TP*CP*AP*CP*GNEP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
著者Irimia, A, Loukachevitch, L.V, Egli, M.
登録日2005-04-28
公開日2005-06-23
最終更新日2022-11-02
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献DNA Adduct Bypass Polymerization by Sulfolobus Solfataricus DNA Polymerase Dpo4: Analysis and Crystal Structures of Multiple Base Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine.
J.Biol.Chem., 280, 2005
2BQU
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DNA Adduct Bypass Polymerization by Sulfolobus solfataricus Dpo4. Analysis and Crystal Structures of Multiple Base-Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine
分子名称: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3', 5'-D(*TP*CP*AP*TP*GNEP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
著者Irimia, A, Loukachevitch, L.V, Egli, M.
登録日2005-04-28
公開日2005-06-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献DNA Adduct Bypass Polymerization by Sulfolobus Solfataricus DNA Polymerase Dpo4: Analysis and Crystal Structures of Multiple Base Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine.
J.Biol.Chem., 280, 2005
2BQR
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BU of 2bqr by Molmil
DNA Adduct Bypass Polymerization by Sulfolobus solfataricus Dpo4. Analysis and Crystal Structures of Multiple Base-Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3', 5'-D(*TP*CP*AP*TP*GNEP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
著者Irimia, A, Loukachevitch, L.V, Egli, M.
登録日2005-04-27
公開日2005-06-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献DNA Adduct Bypass Polymerization by Sulfolobus Solfataricus DNA Polymerase Dpo4: Analysis and Crystal Structures of Multiple Base Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine.
J.Biol.Chem., 280, 2005
5E1T
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BU of 5e1t by Molmil
Crystal structure of TRAF1 TRAF domain
分子名称: TNF receptor-associated factor 1
著者Park, H.H, Kim, C.M.
登録日2015-09-30
公開日2016-12-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of TRAF1 TRAF domain and its implications in the TRAF1-mediated intracellular signaling pathway
Sci Rep, 6, 2016
4L19
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BU of 4l19 by Molmil
Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1
分子名称: 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, CALCIUM ION, Collagenase 3, ...
著者Minond, D, Spicer, T.P, Jiang, J, Taylor, A.B, Hart, P.J, Roush, W.R, Fields, G.B, Hodder, P.S.
登録日2013-06-02
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro.
J.Med.Chem., 57, 2014
3NGD
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BU of 3ngd by Molmil
Structural Basis for Proficient Incorporation of dTTP Opposite O6-methylguanine by Human DNA Polymerase Iota
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*TP*CP*TP*(6OG)P*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*(DOC))-3', DNA polymerase iota
著者Pence, M.G.
登録日2010-06-11
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Proficient Incorporation of dTTP Opposite O6-Methylguanine by Human DNA Polymerase {iota}.
J.Biol.Chem., 285, 2010
4FS1
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BU of 4fs1 by Molmil
Base pairing mechanism of N2,3-ethenoguanine with dTTP by human polymerase iota
分子名称: DNA 5'-D(*TP*CP*TP*(EFG)P*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*(DOC))-3', DNA polymerase iota, MAGNESIUM ION, ...
著者Zhao, L.
登録日2012-06-26
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Basis of Miscoding of the DNA Adduct N2,3-Ethenoguanine by Human Y-family DNA Polymerases.
J.Biol.Chem., 287, 2012
4FS2
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Base pairing mechanism of N2,3-ethenoguanine with dCTP by human polymerase iota
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*TP*CP*TP*(EFG)P*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*(DOC))-3'), DNA polymerase iota, ...
著者Zhao, L.
登録日2012-06-26
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Basis of Miscoding of the DNA Adduct N2,3-Ethenoguanine by Human Y-family DNA Polymerases.
J.Biol.Chem., 287, 2012
3OSN
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BU of 3osn by Molmil
Structural Basis for Proficient Incorporation of dTTP Opposite O6-Methylguanine by Human DNA Polymerase Iota
分子名称: 5'-D(*TP*CP*TP*(6OG)P*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*(DOC))-3', DNA polymerase iota, MAGNESIUM ION, ...
著者Pence, M.G.
登録日2010-09-09
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Proficient Incorporation of dTTP Opposite O6-Methylguanine by Human DNA Polymerase {iota}.
J.Biol.Chem., 285, 2010
5ZYN
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Fumarate reductase
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase 2, ...
著者Park, H.H, Kim, C.M.
登録日2018-05-25
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular basis of maintaining an oxidizing environment under anaerobiosis by soluble fumarate reductase.
Nat Commun, 9, 2018
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