5JA1
 
 | | EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the MbtH-Like Protein YbdZ | | Descriptor: | 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, ... | | Authors: | Miller, B.R, Gulick, A.M. | | Deposit date: | 2016-04-11 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of a Nonribosomal Peptide Synthetase Module Bound to MbtH-like Proteins Support a Highly Dynamic Domain Architecture.
J.Biol.Chem., 291, 2016
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5JA2
 | | EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the non-Native MbtH-Like Protein PA2412 | | Descriptor: | 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, ... | | Authors: | Miller, B.R, Gulick, A.M. | | Deposit date: | 2016-04-11 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of a Nonribosomal Peptide Synthetase Module Bound to MbtH-like Proteins Support a Highly Dynamic Domain Architecture.
J.Biol.Chem., 291, 2016
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5WPJ
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5WPK
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6MDE
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6MDF
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5T3D
 | | Crystal structure of holo-EntF a nonribosomal peptide synthetase in the thioester-forming conformation | | Descriptor: | 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 | | Authors: | Miller, B.R, Drake, E.J, Sundlov, J.A, Gulick, A.M. | | Deposit date: | 2016-08-25 | | Release date: | 2016-09-21 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
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4ZXI
 | | Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase bound to AMP and Glycine | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M. | | Deposit date: | 2015-05-20 | | Release date: | 2015-12-30 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
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4ZXH
 | | Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase from Acinetobacter Baumanii | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4'-PHOSPHOPANTETHEINE, ABBFA_003403, ... | | Authors: | Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M. | | Deposit date: | 2015-05-20 | | Release date: | 2015-12-30 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
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8SVY
 | | MBP-Mcl1 in complex with ligand 10 | | Descriptor: | (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, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-05-17 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1.
Acs Med.Chem.Lett., 14, 2023
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4YFU
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8G3W
 | | MBP-Mcl1 in complex with ligand 28 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Maltodextrin-binding protein, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | 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
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8G3S
 | | MBP-Mcl1 in complex with ligand 11 | | Descriptor: | (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, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 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
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8G3T
 | | MBP-Mcl1 in complex with ligand 12 | | Descriptor: | (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, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | 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
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8G3U
 | | MBP-Mcl1 in complex with ligand 21 | | Descriptor: | (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, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | 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
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8G3X
 | | MBP-Mcl1 in complex with ligand 32 | | Descriptor: | 1,2-ETHANEDIOL, Maltodextrin-binding protein, Induced myeloid leukemia cell differentiation protein Mcl-1 chimera, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | 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
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8G3Y
 | | MBP-Mcl1 in complex with ligand 34 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, B.R, Shaffer, P. | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
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4XIU
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4N56
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4N5S
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