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4UAG
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BU of 4uag by Molmil
UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor: SULFATE ION, UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, UNKNOWN ATOM OR ION, ...
Authors:Bertrand, J, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O.
Deposit date:1999-03-09
Release date:2000-03-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
3UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Bertrand, J.A, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O.
Deposit date:1999-02-24
Release date:2000-02-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
1EEH
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor: UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
Authors:Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O.
Deposit date:2000-01-31
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:"Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase.
J.Mol.Biol., 301, 2000
5A5E
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BU of 5a5e by Molmil
CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, SULFATE ION, ...
Authors:Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C.
Deposit date:2015-06-17
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited.
PLoS ONE, 11, 2016
5A5F
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BU of 5a5f by Molmil
CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI IN COMPLEX WITH UMA AND ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MALONATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ...
Authors:Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C.
Deposit date:2015-06-17
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited.
PLoS ONE, 11, 2016
3ZM6
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BU of 3zm6 by Molmil
CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR
Descriptor: N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE
Authors:Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S.
Deposit date:2013-02-05
Release date:2013-07-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Eur.J.Med.Chem., 66C, 2013
3ZM5
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CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR
Descriptor: 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE
Authors:Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S.
Deposit date:2013-02-05
Release date:2013-07-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Eur.J.Med.Chem., 66C, 2013
2UUO
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BU of 2uuo by Molmil
Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
Descriptor: N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S.
Deposit date:2007-03-06
Release date:2008-03-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
4C12
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BU of 4c12 by Molmil
X-ray Crystal Structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fulop, V, Roper, D.I, Ruane, K.M, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J.
Deposit date:2013-08-09
Release date:2013-10-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity Determinants for Lysine Incorporation in Staphylococcus Aureus Peptidoglycan as Revealed by the Structure of a Mure Enzyme Ternary Complex.
J.Biol.Chem., 288, 2013
2JFH
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BU of 2jfh by Molmil
Crystal structure of MurD ligase in complex with L-Glu containing sulfonamide inhibitor
Descriptor: N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYL-ALANINE-D-GLUTAMATE LIGASE
Authors:Kotnik, M, Humljan, J, Contreras-Martel, C, Oblak, M, Kristan, K, Herve, M, Blanot, D, Urleb, U, Gobec, S, Dessen, A, Solmajer, T.
Deposit date:2007-02-01
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Functional Characterization of Enantiomeric Glutamic Acid Derivatives as Potential Transition State Analogue Inhibitors of Murd Ligase.
J.Mol.Biol., 370, 2007
2JFF
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BU of 2jff by Molmil
Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
Descriptor: N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Kotnik, M, Humljan, J, Contreras-Martel, C, Oblak, M, Kristan, K, Herve, M, Blanot, D, Urleb, U, Gobec, S, Dessen, A, Solmajer, T.
Deposit date:2007-02-01
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural and Functional Characterization of Enantiomeric Glutamic Acid Derivatives as Potential Transition State Analogue Inhibitors of Murd Ligase.
J.Mol.Biol., 370, 2007
2JFG
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BU of 2jfg by Molmil
Crystal structure of MurD ligase in complex with UMA and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ...
Authors:Kotnik, M, Humljan, J, Contreras-Martel, C, Oblak, M, Kristan, K, Herve, M, Blanot, D, Urleb, U, Gobec, S, Dessen, A, Solmajer, T.
Deposit date:2007-02-01
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural and functional characterization of enantiomeric glutamic acid derivatives as potential transition state analogue inhibitors of MurD ligase.
J. Mol. Biol., 370, 2007
2X5O
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BU of 2x5o by Molmil
Discovery of Novel 5-Benzylidenerhodanine- and 5-Benzylidene- thiazolidine-2,4-dione Inhibitors of MurD Ligase
Descriptor: AZIDE ION, CHLORIDE ION, N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID, ...
Authors:Zidar, N, Tomasic, T, Sink, R, Rupnik, V, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelja, D.
Deposit date:2010-02-10
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of novel 5-benzylidenerhodanine and 5-benzylidenethiazolidine-2,4-dione inhibitors of MurD ligase.
J. Med. Chem., 53, 2010
2Y66
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BU of 2y66 by Molmil
New 5-Benzylidenethiazolidine-4-one Inhibitors of Bacterial MurD Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation
Descriptor: (2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Zidar, N, Tomasic, T, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D.
Deposit date:2011-01-20
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:New 5-Benzylidenethiazolidin-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation.
Eur.J.Med.Chem, 46, 2011
2Y67
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BU of 2y67 by Molmil
New 5-Benzylidenethiazolidine-4-one Inhibitors of Bacterial MurD Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation
Descriptor: (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Zidar, N, Tomasic, T, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D.
Deposit date:2011-01-20
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:New 5-Benzylidenethiazolidin-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation.
Eur.J.Med.Chem, 46, 2011
2WJP
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BU of 2wjp by Molmil
CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR
Descriptor: AZIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Tomasic, T, Zidar, N, Sink, R, Kovac, A, Rupnik, V, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Muller-Premru, M, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelj, D.
Deposit date:2009-05-28
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-Dione Inhibitors of Murd Ligase.
J.Med.Chem., 53, 2010
2Y1O
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Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies
Descriptor: (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Tomasic, T, Sink, R, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Kikelj, D, Peterlin-Masic, L.
Deposit date:2010-12-09
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.
ACS Med Chem Lett, 3, 2012
2Y68
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Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase
Descriptor: 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid, AZIDE ION, CHLORIDE ION, ...
Authors:Tomasic, T, Zidar, N, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D.
Deposit date:2011-01-20
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD).
J. Med. Chem., 54, 2011
2XGL
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BU of 2xgl by Molmil
The X-ray structure of the Escherichia coli colicin M immunity protein demonstrates the presence of a disulphide bridge, which is functionally essential
Descriptor: CADMIUM ION, CHLORIDE ION, COLICIN-M IMMUNITY PROTEIN, ...
Authors:Gerard, F, Brooks, M.A, Barreteau, H, Touze, T, Graille, M, Bouhss, A, Blanot, D, Tilbeurgh, H.v, Mengin-Lecreulx, D.
Deposit date:2010-06-07
Release date:2010-11-17
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-Ray Structure and Site-Directed Mutagenesis Analysis of the Escherichia Coli Colicin M Immunity Protein.
J.Bacteriol., 193, 2011
4C13
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BU of 4c13 by Molmil
x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J.
Deposit date:2013-08-09
Release date:2013-10-02
Last modified:2021-03-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy.
Nat.Chem.Biol., 2021
2UUP
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Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
Descriptor: N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S.
Deposit date:2007-03-06
Release date:2008-03-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
2VTD
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BU of 2vtd by Molmil
Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
Descriptor: N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S.
Deposit date:2008-05-14
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
2VTE
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BU of 2vte by Molmil
Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
Descriptor: N-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S.
Deposit date:2008-05-14
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
2XPC
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Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid
Descriptor: (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Sosic, I, Barreteau, H, Simcic, M, Sink, R, Cesar, J, Golic-Grdadolnik, S, Contreras-Martel, C, Dessen, A, Amoroso, A, Joris, B, Blanot, D, Gobec, S.
Deposit date:2010-08-26
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid.
Eur.J.Med.Chem, 46, 2011
2UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE), ...
Authors:Bertrand, J, Fanchon, E, Dideberg, O.
Deposit date:1999-02-23
Release date:2000-02-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999

 

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