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6WFG
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BU of 6wfg by Molmil
Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology
Descriptor: (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
5JKF
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BU of 5jkf by Molmil
Crystal structure of esterase E22
Descriptor: Esterase E22
Authors:Zhang, Y, Wang, P, Yao, Q.
Deposit date:2016-04-26
Release date:2017-04-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Structural basis for substrate recognition and catalysis of a novel esterase E22 with a homoserine transacetylase-like fold
To Be Published
6WFO
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BU of 6wfo by Molmil
Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology
Descriptor: (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
2GQD
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BU of 2gqd by Molmil
The crystal structure of B-ketoacyl-ACP synthase II (FabF) from Staphylococcus aureus
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Miller, D.J, White, S.W, Zhang, Y.M, Rock, C.O.
Deposit date:2006-04-20
Release date:2006-05-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of B-ketoacyl-ACP synthase II (FabF) from Staphylococcus aureus
To be Published
5W8O
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BU of 5w8o by Molmil
Homoserine transacetylase MetX from Mycobacterium hassiacum
Descriptor: CALCIUM ION, GLYCEROL, Homoserine O-acetyltransferase, ...
Authors:Reed, R.W, Rodriguez, E.S, Li, J, Korotkov, K.V.
Deposit date:2017-06-22
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site.
Sci Rep, 9, 2019
2OI5
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BU of 2oi5 by Molmil
E. coli GlmU- Complex with UDP-GlcNAc and Acetyl-CoA
Descriptor: ACETYL COENZYME *A, Bifunctional protein glmU, MAGNESIUM ION, ...
Authors:Olsen, L.R, Vetting, M.W, Roderick, S.L.
Deposit date:2007-01-10
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of the E. coli bifunctional GlmU acetyltransferase active site with substrates and products.
Protein Sci., 16, 2007
5JPH
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BU of 5jph by Molmil
Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus in complex with CoA
Descriptor: Acetyltransferase SACOL1063, CHLORIDE ION, COENZYME A
Authors:Majorek, K.A, Osinski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-05-03
Release date:2016-06-29
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria.
Biochim.Biophys.Acta, 1865, 2016
2NVU
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BU of 2nvu by Molmil
Structure of APPBP1-UBA3~NEDD8-NEDD8-MgATP-Ubc12(C111A), a trapped ubiquitin-like protein activation complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Maltose binding protein/NEDD8-activating enzyme E1 catalytic subunit chimera, ...
Authors:Huang, D.T, Hunt, H.W, Zhuang, M, Ohi, M.D, Holton, J.M, Schulman, B.A.
Deposit date:2006-11-13
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Basis for a ubiquitin-like protein thioester switch toggling E1-E2 affinity.
Nature, 445, 2007
5JTF
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BU of 5jtf by Molmil
Crystal structure of ArsN N-acetyltransferase from Pseudomonas putida KT2440
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative Phosphinothricin N-acetyltransferase
Authors:Venkadesh, S, Dheeman, D.S, Kandavelu, P, Rosen, B.P.
Deposit date:2016-05-09
Release date:2017-05-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic.
Commun Biol, 2, 2019
5EBV
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BU of 5ebv by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor 11c and CoA
Descriptor: 5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine, CHLORIDE ION, COENZYME A, ...
Authors:Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2015-10-19
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent Inhibitors of Acetyltransferase Eis Overcome Kanamycin Resistance in Mycobacterium tuberculosis.
Acs Chem.Biol., 11, 2016
2O0B
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BU of 2o0b by Molmil
Mycobacterium tuberculosis epsp synthase in complex with S3P (partially photolyzed)
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, PHOSPHATE ION, SHIKIMATE-3-PHOSPHATE, ...
Authors:Burenkov, G.P, Kachalova, G.S, Bartunik, H.D, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2006-11-27
Release date:2008-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Complex of 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE with S3P
To be Published
5EC4
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BU of 5ec4 by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor 13g and CoA
Descriptor: 5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine, COENZYME A, Enhanced intracellular survival protein
Authors:Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2015-10-20
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Potent Inhibitors of Acetyltransferase Eis Overcome Kanamycin Resistance in Mycobacterium tuberculosis.
Acs Chem.Biol., 11, 2016
5DWN
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BU of 5dwn by Molmil
Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis in complex with AcetylCoA
Descriptor: ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-09-22
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis in complex with AcetylCoA
to be published
2O0E
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BU of 2o0e by Molmil
Mycobacterium tuberculosis epsp synthase in complex with S3P and PEP
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, PHOSPHOENOLPYRUVATE, SHIKIMATE-3-PHOSPHATE, ...
Authors:Kachalova, G.S, Bartunik, H.D, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2006-11-27
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Complexes of 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE
To be Published
8BC3
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BU of 8bc3 by Molmil
Cryo-EM Structure of a BmSF-TAL - Sulfofructose Schiff Base Complex
Descriptor: (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid, BmSF-TAL
Authors:Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J.
Deposit date:2022-10-14
Release date:2023-01-18
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism.
Structure, 31, 2023
2HEO
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BU of 2heo by Molmil
General Structure-Based Approach to the Design of Protein Ligands: Application to the Design of Kv1.2 Potassium Channel Blockers.
Descriptor: 5'-D(*TP*CP*GP*CP*GP*CP*G)-3', Z-DNA binding protein 1
Authors:Magis, C, Gasparini, S, Charbonnier, J.B, Stura, E, Le Du, M.H, Menez, A, Cuniasse, P.
Deposit date:2006-06-21
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based secondary structure-independent approach to design protein ligands: Application to the design of Kv1.2 potassium channel blockers.
J.Am.Chem.Soc., 128, 2006
7ZKT
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BU of 7zkt by Molmil
Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with CoA and lysine
Descriptor: 1,2-ETHANEDIOL, COENZYME A, LYSINE, ...
Authors:Morera, S, Kopecny, D, Vigouroux, A, Briozzo, P.
Deposit date:2022-04-13
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize.
Plant J., 114, 2023
2Q7T
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BU of 2q7t by Molmil
Crystal Structure of the F plasmid TraI Relaxase Domain with the Scissile Thymidine Base
Descriptor: MAGNESIUM ION, Protein traI, THYMIDINE-5'-PHOSPHATE
Authors:Lujan, S.A, Redinbo, M.R.
Deposit date:2007-06-07
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Disrupting antibiotic resistance propagation by inhibiting the conjugative DNA relaxase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5H84
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BU of 5h84 by Molmil
Human Gcn5 bound to propionyl-CoA
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase KAT2A, ISOPROPYL ALCOHOL, ...
Authors:Wolberger, C, Ringel, A.E.
Deposit date:2015-12-23
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for acyl-group discrimination by human Gcn5L2.
Acta Crystallogr D Struct Biol, 72, 2016
2Q6L
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BU of 2q6l by Molmil
SalL double mutant Y70T/G131S with CLDA and L-MET
Descriptor: 5'-CHLORO-5'-DEOXYADENOSINE, Hypothetical protein, METHIONINE
Authors:Pojer, F, Noel, J.P.
Deposit date:2007-06-05
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery and characterization of a marine bacterial SAM-dependent chlorinase
Nat.Chem.Biol., 4, 2008
5H86
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BU of 5h86 by Molmil
Human Gcn5 bound to butyryl-CoA
Descriptor: 1,2-ETHANEDIOL, Butyryl Coenzyme A, Histone acetyltransferase KAT2A
Authors:Wolberger, C, Ringel, A.E.
Deposit date:2015-12-23
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis for acyl-group discrimination by human Gcn5L2.
Acta Crystallogr D Struct Biol, 72, 2016
2Q7B
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BU of 2q7b by Molmil
Crystal structure of acetyltransferase (NP_689019.1) from Streptococcus agalactiae 2603 at 2.00 A resolution
Descriptor: Acetyltransferase, GNAT family, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-06-06
Release date:2007-06-26
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of acetyltransferase (NP_689019.1) from Streptococcus agalactiae 2603 at 2.00 A resolution
To be published
5WRN
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BU of 5wrn by Molmil
Human thymidylate synthase complexed with dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Nordlund, P.
Deposit date:2016-12-02
Release date:2016-12-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Human thymidylate synthase complexed with dCMP
To Be Published
5HC7
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BU of 5hc7 by Molmil
Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with S-thiolo-isopentenyldiphosphate
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, prenyltransference for protein
Authors:Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-01-04
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase
Angew.Chem.Int.Ed.Engl., 55, 2016
5B5N
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BU of 5b5n by Molmil
Crystal structure of the Ba-substituted LH1-RC complex from Tch. tepidum
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Wang-Otomo, Z.-Y, Yu, L.-J.
Deposit date:2016-05-12
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Basis for the Unusual Qy Red-Shift and Enhanced Thermostability of the LH1 Complex from Thermochromatium tepidum.
Biochemistry, 55, 2016

223790

数据于2024-08-14公开中

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