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PDB: 323 件

6D9F
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Protein 60 with aldehyde deformylating oxidase activity from Kitasatospora setae
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Putative VlmB homolog, ...
著者Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
登録日2018-04-28
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery, Design, and Structural Characterization of Alkane-Producing Enzymes across the Ferritin-like Superfamily.
Biochemistry, 59, 2020
6EU5
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BU of 6eu5 by Molmil
Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor
分子名称: 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
著者Brenk, R, Kehrein, J, Kersten, C.
登録日2017-10-27
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.496083 Å)
主引用文献How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 2019
6EWF
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BU of 6ewf by Molmil
Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor
分子名称: Glycylpeptide N-tetradecanoyltransferase, N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, TETRADECANOYL-COA
著者Brenk, R, Kehrein, J, Kersten, C.
登録日2017-11-03
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5351733 Å)
主引用文献How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 2019
6F56
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BU of 6f56 by Molmil
Mutant of Human N-myristoyltransferase with bound myristoyl-CoA
分子名称: GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ...
著者Brenk, R, Kehrein, J, Kersten, C.
登録日2017-11-30
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94019878 Å)
主引用文献How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 2019
8FMJ
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BU of 8fmj by Molmil
Crystal structure of human KRAS in space group R32
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O.
登録日2022-12-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
8FMI
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BU of 8fmi by Molmil
Crystal structure of human KRAS at 1.12 A
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
著者Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O.
登録日2022-12-23
公開日2023-11-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
8FMK
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BU of 8fmk by Molmil
Crystal structure of human KRAS with extended switch I loop
分子名称: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O.
登録日2022-12-23
公開日2023-11-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
8QAG
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BU of 8qag by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 6 inner helices, sc-CC-6-95
分子名称: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, sc-CC-6-95
著者Petrenas, R, Albanese, K.I, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
6B6G
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BU of 6b6g by Molmil
Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction
分子名称: (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
著者Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D.
登録日2017-10-02
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction.
J. Am. Chem. Soc., 140, 2018
8QAH
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BU of 8qah by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 8 inner helices, sc-CC-8-58
分子名称: sc-CC-8-58
著者Petrenas, R, Albanese, K.I, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
5KJX
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BU of 5kjx by Molmil
Co-crystal Structure of PKA RI alpha CNB-B domain with cAMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W.
登録日2016-06-20
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
5KJY
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BU of 5kjy by Molmil
Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cAMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W.
登録日2016-06-20
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
5KJZ
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BU of 5kjz by Molmil
Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cGMP
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W.
登録日2016-06-20
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.347 Å)
主引用文献Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
4ZO2
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BU of 4zo2 by Molmil
AidC, a Dizinc Quorum-Quenching Lactonase
分子名称: Acylhomoserine lactonase, ZINC ION
著者Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D.
登録日2015-05-05
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
4ZO3
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BU of 4zo3 by Molmil
AidC, a Dizinc Quorum-Quenching Lactonase, in complex with a product N-hexnoyl-L-homoserine
分子名称: Acylhomoserine lactonase, N-hexanoyl-L-homoserine, ZINC ION
著者Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D.
登録日2015-05-05
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
4FSC
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BU of 4fsc by Molmil
Crystal Structure of Bacillus thuringiensis PlcR in its apo form
分子名称: Transcriptional activator PlcR protein
著者Grenha, R, Slamti, L, Bouillaut, L, Lereclus, D, Nessler, S.
登録日2012-06-27
公開日2013-03-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Structural basis for the activation mechanism of the PlcR virulence regulator by the quorum-sensing signal peptide PapR.
Proc.Natl.Acad.Sci.USA, 110, 2013
5SNH
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BU of 5snh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198194394
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-(4-fluorophenyl)piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNT
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BU of 5snt by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30820160
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-methyl-1,3-thiazol-2-yl)propanamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SN7
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BU of 5sn7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z32327641
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SOC
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BU of 5soc by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1530301542
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNL
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BU of 5snl by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2027049478
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SO2
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BU of 5so2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31504642
分子名称: 2-methoxy-N-phenylacetamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNF
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BU of 5snf by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z87615031
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[4-(2-amino-2-oxoethyl)phenyl]acetamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNZ
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BU of 5snz by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z44567722
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNB
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BU of 5snb by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1545313172
分子名称: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023

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件を2024-08-21に公開中

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