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PDB: 16 件
5JA1
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EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the MbtH-Like Protein YbdZ
分子名称: 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine, CHLORIDE ION, Enterobactin biosynthesis protein YbdZ, ...
著者Miller, B.R, Gulick, A.M.
登録日2016-04-11
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of a Nonribosomal Peptide Synthetase Module Bound to MbtH-like Proteins Support a Highly Dynamic Domain Architecture.
J.Biol.Chem., 291, 2016
5JA2
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EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the non-Native MbtH-Like Protein PA2412
分子名称: 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine, Enterobactin synthase component F, MbtH-Like Protein PA2412, ...
著者Miller, B.R, Gulick, A.M.
登録日2016-04-11
公開日2016-09-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of a Nonribosomal Peptide Synthetase Module Bound to MbtH-like Proteins Support a Highly Dynamic Domain Architecture.
J.Biol.Chem., 291, 2016
8SVY
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MBP-Mcl1 in complex with ligand 10
分子名称: (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Miller, B.R, Shaffer, P.
登録日2023-05-17
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1.
Acs Med.Chem.Lett., 14, 2023
5T3D
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Crystal structure of holo-EntF a nonribosomal peptide synthetase in the thioester-forming conformation
分子名称: 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine, Enterobactin synthase component F
著者Miller, B.R, Drake, E.J, Sundlov, J.A, Gulick, A.M.
登録日2016-08-25
公開日2016-09-21
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
5WPJ
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Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to NADPH in open conformations
分子名称: 3-hydroxy-3-methylglutaryl coenzyme A reductase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Miller, B.R, Kung, Y.
登録日2017-08-04
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Features and Domain Movements Controlling Substrate Binding and Cofactor Specificity in Class II HMG-CoA Reductase.
Biochemistry, 57, 2018
5WPK
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Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to HMG-CoA and in a partially closed conformation
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl coenzyme A reductase, ...
著者Miller, B.R, Kung, Y.
登録日2017-08-04
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Features and Domain Movements Controlling Substrate Binding and Cofactor Specificity in Class II HMG-CoA Reductase.
Biochemistry, 57, 2018
8G3W
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MBP-Mcl1 in complex with ligand 28
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Maltodextrin-binding protein, ...
著者Miller, B.R, Shaffer, P.
登録日2023-02-08
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies.
J.Med.Chem., 66, 2023
8G3T
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MBP-Mcl1 in complex with ligand 12
分子名称: (1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Miller, B.R, Shaffer, P.
登録日2023-02-08
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies.
J.Med.Chem., 66, 2023
8G3U
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MBP-Mcl1 in complex with ligand 21
分子名称: (1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, 1,2-ETHANEDIOL, Maltodextrin-binding protein, ...
著者Miller, B.R, Shaffer, P.
登録日2023-02-08
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies.
J.Med.Chem., 66, 2023
8G3S
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MBP-Mcl1 in complex with ligand 11
分子名称: (1'S,3aS,5R,16R,17S,19E,21S,21aR)-6'-chloro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, FORMIC ACID, Maltodextrin-binding protein, ...
著者Miller, B.R, Shaffer, P.
登録日2023-02-08
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies.
J.Med.Chem., 66, 2023
8G3X
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BU of 8g3x by Molmil
MBP-Mcl1 in complex with ligand 32
分子名称: 1,2-ETHANEDIOL, Maltodextrin-binding protein, Induced myeloid leukemia cell differentiation protein Mcl-1 chimera, ...
著者Miller, B.R, Shaffer, P.
登録日2023-02-08
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies.
J.Med.Chem., 66, 2023
8G3Y
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BU of 8g3y by Molmil
MBP-Mcl1 in complex with ligand 34
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Miller, B.R, Shaffer, P.
登録日2023-02-08
公開日2023-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies.
J.Med.Chem., 66, 2023
6MDE
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BU of 6mde by Molmil
Mevalonate kinase from Methanosarcina mazei with mevalonate bound
分子名称: (R)-MEVALONATE, GLYCEROL, Mevalonate kinase, ...
著者Miller, B.R, Kung, Y.
登録日2018-09-04
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insight into substrate and product binding in an archaeal mevalonate kinase.
PLoS ONE, 13, 2018
6MDF
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Mevalonate kinase from Methanosarcina mazei with 5-phosphomevalonate bound
分子名称: (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID, GLYCEROL, Mevalonate kinase
著者Miller, B.R, Kung, Y.
登録日2018-09-04
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural insight into substrate and product binding in an archaeal mevalonate kinase.
PLoS ONE, 13, 2018
4ZXH
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BU of 4zxh by Molmil
Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase from Acinetobacter Baumanii
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4'-PHOSPHOPANTETHEINE, ABBFA_003403, ...
著者Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M.
登録日2015-05-20
公開日2015-12-30
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
4ZXI
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Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase bound to AMP and Glycine
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ...
著者Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M.
登録日2015-05-20
公開日2015-12-30
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016

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件を2024-11-06に公開中

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