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5LAY
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BU of 5lay by Molmil
Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
分子名称: (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
著者Kessler, D, Gollner, A.
登録日2016-06-15
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
4HEB
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BU of 4heb by Molmil
The Crystal structure of Maf protein of Bacillus subtilis
分子名称: Septum formation protein Maf, UNKNOWN ATOM OR ION
著者Dong, A, Dombrovski, L, Brown, G, Flick, R, Tchigvintsev, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Iakounine, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-10-03
公開日2012-10-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
5E1S
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BU of 5e1s by Molmil
The Crystal structure of INSR Tyrosine Kinase in complex with the Inhibitor BI 885578
分子名称: (5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine, Insulin receptor
著者Kessler, D, Zahn, S, Sanderson, M, Wolkerstorfer, B.
登録日2015-09-30
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.264 Å)
主引用文献BI 885578, a Novel IGF1R/INSR Tyrosine Kinase Inhibitor with Pharmacokinetic Properties That Dissociate Antitumor Efficacy and Perturbation of Glucose Homeostasis.
Mol.Cancer Ther., 14, 2015
6OTT
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BU of 6ott by Molmil
Structure of PurF in complex with ppApp
分子名称: Amidophosphoribosyltransferase, PurF, MAGNESIUM ION, ...
著者Grant, R.A, Wang, B, Laub, M.T.
登録日2019-05-03
公開日2019-11-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献An interbacterial toxin inhibits target cell growth by synthesizing (p)ppApp.
Nature, 575, 2019
6P2M
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BU of 6p2m by Molmil
Crystal structure of the Caldicellulosiruptor lactoaceticus GH74 (ClGH74a) enzyme in complex with LLG xyloglucan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, GLYCEROL, ...
著者Stogios, P.J, Skarina, T, Arnal, G.
登録日2019-05-21
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
6P2N
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BU of 6p2n by Molmil
Crystal structure of Paenibacillus graminis GH74 (PgGH74)
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Stogios, P.J.
登録日2019-05-21
公開日2019-07-31
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
1MKI
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BU of 1mki by Molmil
Crystal Structure of Bacillus Subtilis Probable Glutaminase, APC1040
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Probable Glutaminase ybgJ
著者Kim, Y, Dementieva, I, Vinokour, E, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-08-29
公開日2003-06-03
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural characterization of four glutaminases from Escherichia coli and Bacillus subtilis.
Biochemistry, 47, 2008
2MA8
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BU of 2ma8 by Molmil
Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein SrfN: Northeast Structural Genomics Consortium Target StR109
分子名称: Putative secreted protein
著者Cort, J.R, Eletsky, A, Adkins, J.N, Burnet, M.C, Parish, D, Liu, K, Sukumaran, D.K, Jiang, M, Cunningham, K, Ma, T, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-29
公開日2013-09-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
2MA4
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BU of 2ma4 by Molmil
Solution NMR Structure of yahO protein from Salmonella typhimurium, Northeast Structural Genomics Consortium (NESG) Target StR106
分子名称: Putative periplasmic protein
著者Eletsky, A, Zhang, Q, Liu, G, Wang, H, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-27
公開日2013-08-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
2P5X
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BU of 2p5x by Molmil
Crystal structure of Maf domain of human N-acetylserotonin O-methyltransferase-like protein
分子名称: N-acetylserotonin O-methyltransferase-like protein, PHOSPHATE ION
著者Min, J, Wu, H, Dombrovski, L, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2007-03-16
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
6UHX
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BU of 6uhx by Molmil
Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized oxidoreductase YIR035C
著者Stogios, P.J, Skarina, T, Chen, C, Kagan, O, Iakounine, A, Savchenko, A.
登録日2019-09-29
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae
To Be Published
4JM7
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BU of 4jm7 by Molmil
1.82 Angstrom resolution crystal structure of holo-(acyl-carrier-protein) synthase (acpS) from Staphylococcus aureus
分子名称: Holo-[acyl-carrier-protein] synthase
著者Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-03-13
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.824 Å)
主引用文献Structural characterization and comparison of three acyl-carrier-protein synthases from pathogenic bacteria.
Acta Crystallogr.,Sect.D, 68, 2012
3KZL
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BU of 3kzl by Molmil
Crystal structure of BA2930 mutant (H183G) in complex with AcCoA
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ...
著者Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-12-08
公開日2009-12-22
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
1M6Y
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BU of 1m6y by Molmil
Crystal Structure Analysis of TM0872, a Putative SAM-dependent Methyltransferase, Complexed with SAH
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, S-adenosyl-methyltransferase mraW, SULFATE ION
著者Miller, D.J, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2002-07-17
公開日2003-01-28
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal complexes of a predicted S-adenosylmethionine-dependent methyltransferase reveal a typical AdoMet binding domain and a substrate recognition domain
Protein Sci., 12, 2003
3QXX
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BU of 3qxx by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GDP and 8-aminocaprylic acid
分子名称: 1,2-ETHANEDIOL, 8-aminooctanoic acid, Dethiobiotin synthetase, ...
著者Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-03-02
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3ETF
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BU of 3etf by Molmil
Crystal structure of a putative succinate-semialdehyde dehydrogenase from salmonella typhimurium lt2
分子名称: Putative succinate-semialdehyde dehydrogenase
著者Brunzelle, J.S, Evdokimova, E, Kudritska, M, Wawrzak, Z, Anderson, W.F, Savchenk, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-10-07
公開日2008-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and activity of the NAD(P)(+) -dependent succinate semialdehyde dehydrogenase YneI from Salmonella typhimurium.
Proteins, 81, 2013
3N0M
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BU of 3n0m by Molmil
Crystal structure of BA2930 mutant (H183G) in complex with AcCoA
分子名称: ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION
著者Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-05-14
公開日2010-06-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
4RHA
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BU of 4rha by Molmil
Structure of the C-terminal domain of outer-membrane protein OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, Outer membrane protein A, ...
著者Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-10-01
公開日2014-10-29
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights into PG-binding, conformational change, and dimerization of the OmpA C-terminal domains from Salmonella enterica serovar Typhimurium and Borrelia burgdorferi.
Protein Sci., 26, 2017
3N0S
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BU of 3n0s by Molmil
Crystal structure of BA2930 mutant (H183A) in complex with AcCoA
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ...
著者Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-05-14
公開日2010-06-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
7RCA
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BU of 7rca by Molmil
Crystal structure of Aro2p chorismate synthase from Candida lusitaniae
分子名称: CHLORIDE ION, Chorismate synthase, SULFATE ION
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-07
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of Aro2p chorismate synthase from Candida lusitaniae
To Be Published
7REU
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BU of 7reu by Molmil
Crystal structure of Aro4p, 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase from Candida auris, L-Tyr complex
分子名称: 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase, CHLORIDE ION, GLYCEROL, ...
著者Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-13
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal structure of Aro4p, 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase from Candida auris, L-Tyr complex
To Be Published
7RGE
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BU of 7rge by Molmil
Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex
分子名称: 3'-phosphoadenylylsulfate reductase, GLYCEROL, PHOSPHATE ION
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-15
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex
To Be Published
7RH8
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BU of 7rh8 by Molmil
Crystal structure of Fur1p from Candida albicans, in complex with UTP
分子名称: URIDINE 5'-TRIPHOSPHATE, Uracil phosphoribosyltransferase
著者Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-16
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of Fur1p from Candida albicans, in complex with UTP
To Be Published
7RJ1
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BU of 7rj1 by Molmil
Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chorismate mutase, ...
著者Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-20
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp
To Be Published
7RLL
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BU of 7rll by Molmil
Crystal structure of ARF3 from Candida albicans in complex with guanosine-3'-monophosphate-5'-diphosphate
分子名称: Arf3p, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Stogios, P.J, Michalska, K, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-25
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of ARF3 from Candida albicans in complex with guanosine-3'-monophosphate-5'-diphosphate
To Be Published

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