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5UWM
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BU of 5uwm by Molmil
Matrix metalloproteinase-13 complexed with selective inhibitor compound (R)-17a
Descriptor: (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, ...
Authors:Taylor, A.B, Cao, X, Hart, P.J.
Deposit date:2017-02-21
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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
Descriptor: 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
Authors:Podust, L.M.
Deposit date:2013-04-18
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite: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
Descriptor: DREP2
Authors:Jang, T.H, Park, H.H, Kim, Y.G, Jeong, J.H.
Deposit date:2014-05-12
Release date:2015-05-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.302 Å)
Cite: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
Descriptor: DNAation factor-related protein 4, GLYCEROL
Authors:Park, H.H, Jeong, J.H.
Deposit date:2017-06-01
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.902 Å)
Cite: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
Descriptor: (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
Authors:Gihaz, S, Ben Mamoun, C.
Deposit date:2021-12-01
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: (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
Authors:Gihaz, S, Ben Mamoun, C.
Deposit date:2021-12-01
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (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, ...
Authors:Gihaz, S, Ben Mamoun, C.
Deposit date:2021-12-02
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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, ...
Authors:Irimia, A, Loukachevitch, L.V, Egli, M.
Deposit date:2005-04-27
Release date:2005-06-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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', ...
Authors:Irimia, A, Loukachevitch, L.V, Egli, M.
Deposit date:2005-04-28
Release date:2005-06-23
Last modified:2022-11-02
Method:X-RAY DIFFRACTION (2.17 Å)
Cite: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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BU of 2bqu 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
Descriptor: 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', ...
Authors:Irimia, A, Loukachevitch, L.V, Egli, M.
Deposit date:2005-04-28
Release date:2005-06-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 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', ...
Authors:Irimia, A, Loukachevitch, L.V, Egli, M.
Deposit date:2005-04-27
Release date:2005-06-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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
Descriptor: TNF receptor-associated factor 1
Authors:Park, H.H, Kim, C.M.
Deposit date:2015-09-30
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, CALCIUM ION, Collagenase 3, ...
Authors:Minond, D, Spicer, T.P, Jiang, J, Taylor, A.B, Hart, P.J, Roush, W.R, Fields, G.B, Hodder, P.S.
Deposit date:2013-06-02
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite: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
Descriptor: 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
Authors:Pence, M.G.
Deposit date:2010-06-11
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhao, L.
Deposit date:2012-06-26
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 4fs2 by Molmil
Base pairing mechanism of N2,3-ethenoguanine with dCTP by human polymerase iota
Descriptor: 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, ...
Authors:Zhao, L.
Deposit date:2012-06-26
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 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, ...
Authors:Pence, M.G.
Deposit date:2010-09-09
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 5zyn by Molmil
Fumarate reductase
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase 2, ...
Authors:Park, H.H, Kim, C.M.
Deposit date:2018-05-25
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular basis of maintaining an oxidizing environment under anaerobiosis by soluble fumarate reductase.
Nat Commun, 9, 2018
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數據於2024-05-15公開中

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