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4DE4
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BU of 4de4 by Molmil
Crystal structure of aminoglycoside phosphotransferase APH(2")-Id/APH(2")-IVa in complex with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APH(2")-Id
著者Stogios, P.J, Minasov, G, Tan, K, Nocek, B, Evdokimova, E, Egorova, O, Di Leo, R, Li, H, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-19
公開日2012-02-08
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A small molecule discrimination map of the antibiotic resistance kinome.
Chem.Biol., 18, 2011
4GKI
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BU of 4gki by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1
分子名称: 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-11
公開日2012-09-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4F78
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Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ...
著者Stogios, P.J, Wawrzak, Z, Evdokimova, E, Minasov, G, Egorova, O, Di Leo, R, Kudritska, M, Yim, V, Meziane-Cherif, D, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-15
公開日2012-05-23
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4FEW
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BU of 4few by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2
分子名称: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-30
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4PPZ
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BU of 4ppz by Molmil
Crystal structure of zinc-bound succinyl-diaminopimelate desuccinylase from Neisseria meningitidis MC58
分子名称: PHOSPHATE ION, Succinyl-diaminopimelate desuccinylase, ZINC ION
著者Nocek, B, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-02-27
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril.
Biochemistry, 54, 2015
4FEU
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BU of 4feu by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor anthrapyrazolone SP600125
分子名称: 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-30
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4O23
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Crystal structure of mono-zinc form of succinyl diaminopimelate desuccinylase from Neisseria meningitidis MC58
分子名称: SULFATE ION, Succinyl-diaminopimelate desuccinylase, ZINC ION
著者Nocek, B, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-12-16
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril.
Biochemistry, 54, 2015
4FEX
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BU of 4fex by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor tyrphostin AG1478
分子名称: ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, KANAMYCIN A, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-30
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4DFU
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BU of 4dfu by Molmil
Inhibition of an antibiotic resistance enzyme: crystal structure of aminoglycoside phosphotransferase APH(2")-ID/APH(2")-IVA in complex with kanamycin inhibited with quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, APH(2")-Id, CHLORIDE ION, ...
著者Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Egorova, E, Di Leo, R, Li, H, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-24
公開日2012-02-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A small molecule discrimination map of the antibiotic resistance kinome.
Chem.Biol., 18, 2011
4MUT
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BU of 4mut by Molmil
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Alanine
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ...
著者Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-23
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
3QYQ
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BU of 3qyq by Molmil
1.8 Angstrom resolution crystal structure of a putative deoxyribose-phosphate aldolase from Toxoplasma gondii ME49
分子名称: Deoxyribose-phosphate aldolase, putative, SULFATE ION, ...
著者Halavaty, A.S, Ruan, J, Minasov, G, Shuvalova, L, Ueno, A, Igarashi, M, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-03-03
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional divergence of the aldolase fold in Toxoplasma gondii.
J.Mol.Biol., 427, 2015
4PQA
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BU of 4pqa by Molmil
Crystal Structure of succinyl-diaminopimelate desuccinylase from Neisseria meningitidis MC58 in complex with the Inhibitor Captopril
分子名称: L-CAPTOPRIL, SULFATE ION, Succinyl-diaminopimelate desuccinylase, ...
著者Nocek, B, Starus, A, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-03-01
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril.
Biochemistry, 54, 2015
4FEV
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BU of 4fev by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP1
分子名称: 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-30
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4MUS
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BU of 4mus by Molmil
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Ala-D-Ala phosphinate analog
分子名称: (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, (2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, CHLORIDE ION, ...
著者Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-23
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.675 Å)
主引用文献Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4ONW
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BU of 4onw by Molmil
Crystal structure of the catalytic domain of DapE protein from V.cholerea
分子名称: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, ACETATE ION, ...
著者Nocek, B, Makowska-Grzyska, M, Jedrzejczak, R, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-01-29
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Dimerization Domain in DapE Enzymes Is required for Catalysis.
Plos One, 9, 2014
4E8O
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Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ih from Acinetobacter baumannii
分子名称: Aac(6')-Ih protein, CHLORIDE ION
著者Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-20
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.138 Å)
主引用文献Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
4OP4
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BU of 4op4 by Molmil
Crystal structure of the catalytic domain of DapE protein from V.cholerea in the Zn bound form
分子名称: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, GLYCEROL, ...
著者Nocek, B, Makowska-Grzyska, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-02-04
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献The Dimerization Domain in DapE Enzymes Is required for Catalysis.
Plos One, 9, 2014
4ECL
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BU of 4ecl by Molmil
Crystal structure of the cytoplasmic domain of vancomycin resistance serine racemase VanTg
分子名称: CHLORIDE ION, SULFATE ION, Serine racemase
著者Stogios, P.J, Wawrzak, Z, Minasov, G, Evdokimova, E, Egorova, O, Cosme, J, Di Leo, R, Krishnamoorthy, M, Meziane-Cherif, D, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-26
公開日2012-04-18
最終更新日2016-06-01
実験手法X-RAY DIFFRACTION (2.017 Å)
主引用文献Structural and Functional Adaptation of Vancomycin Resistance VanT Serine Racemases.
MBio, 6, 2015
4EVY
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BU of 4evy by Molmil
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ig from Acinetobacter haemolyticus in complex with tobramycin
分子名称: Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, POTASSIUM ION, ...
著者Stogios, P.J, Evdokimova, E, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-26
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
4EIV
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BU of 4eiv by Molmil
1.37 Angstrom resolution crystal structure of apo-form of a putative deoxyribose-phosphate aldolase from Toxoplasma gondii ME49
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Deoxyribose-phosphate aldolase
著者Halavaty, A.S, Ruan, J, Minasov, G, Shuvalova, L, Ueno, A, Igarashi, M, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-05
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural and Functional Divergence of the Aldolase Fold in Toxoplasma gondii.
J.Mol.Biol., 427, 2015
4QGL
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BU of 4qgl by Molmil
Acireductone dioxygenase from Bacillus anthracis with three cadmium ions
分子名称: Acireductone dioxygenase, CADMIUM ION
著者Milaczewska, A.M, Chruszcz, M, Majorek, K.A, Porebski, P.J, Borowski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-05-23
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Acireductone dioxygenase from Bacillus anthracis with three cadmium ions
To be Published
4QGM
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Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center
分子名称: Acireductone dioxygenase, CADMIUM ION
著者Milaczewska, A.M, Chruszcz, M, Shabalin, I.G, Cooper, D.R, Borowski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-05-23
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center
To be Published
4I08
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BU of 4i08 by Molmil
Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG) from Vibrio cholerae in complex with NADPH
分子名称: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Hou, J, Chruszcz, M, Zheng, H, Osinski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-11-16
公開日2012-12-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.063 Å)
主引用文献Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
1LMB
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BU of 1lmb by Molmil
REFINED 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE LAMBDA REPRESSOR-OPERATOR COMPLEX
分子名称: DNA (5'-D(*AP*AP*TP*AP*CP*CP*AP*CP*TP*GP*GP*CP*GP*GP*TP*GP*A P*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*TP*CP*AP*CP*CP*GP*CP*CP*AP*GP*TP*GP*G P*TP*AP*T)-3'), PROTEIN (LAMBDA REPRESSOR)
著者Beamer, L.J, Pabo, C.O.
登録日1991-11-05
公開日1991-11-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Refined 1.8 A crystal structure of the lambda repressor-operator complex.
J.Mol.Biol., 227, 1992
1KK9
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CRYSTAL STRUCTURE OF E. COLI YCIO
分子名称: SULFATE ION, probable translation factor yciO
著者Jia, J, Lunin, V.V, Sauve, V, Huang, L.-W, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2001-12-06
公開日2002-12-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the YciO protein from Escherichia coli
PROTEINS: STRUCT.,FUNCT.,GENET., 49, 2002

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