6QZ5
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![BU of 6qz5 by Molmil](/molmil-images/mine/6qz5) | Structure of Mcl-1 in complex with compound 8a | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-11 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QYK
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![BU of 6qyk by Molmil](/molmil-images/mine/6qyk) | Structure of MBP-Mcl-1 in complex with compound 7a | 分子名称: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-09 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QZ6
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![BU of 6qz6 by Molmil](/molmil-images/mine/6qz6) | Structure of Mcl-1 in complex with compound 8b | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-11 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5N4D
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![BU of 5n4d by Molmil](/molmil-images/mine/5n4d) | Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - D661A mutant | 分子名称: | Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase | 著者 | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | 登録日 | 2017-02-10 | 公開日 | 2017-11-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates. Nat Commun, 8, 2017
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6QYN
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![BU of 6qyn by Molmil](/molmil-images/mine/6qyn) | Structure of MBP-Mcl-1 in complex with compound 10d | 分子名称: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-09 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5N0R
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![BU of 5n0r by Molmil](/molmil-images/mine/5n0r) | |
6QYO
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![BU of 6qyo by Molmil](/molmil-images/mine/6qyo) | Structure of MBP-Mcl-1 in complex with compound 18a | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-09 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5VE3
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![BU of 5ve3 by Molmil](/molmil-images/mine/5ve3) | Crystal structure of wild-type persulfide dioxygenase-rhodanese fusion protein from Burkholderia phytofirmans | 分子名称: | BpPRF, FE (III) ION | 著者 | Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R. | 登録日 | 2017-04-03 | 公開日 | 2017-07-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.793 Å) | 主引用文献 | Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation. J. Biol. Chem., 292, 2017
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6QZ7
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![BU of 6qz7 by Molmil](/molmil-images/mine/6qz7) | Structure of MBP-Mcl-1 in complex with compound 8b | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-11 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QZB
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![BU of 6qzb by Molmil](/molmil-images/mine/6qzb) | Structure of Mcl-1 in complex with compound 8d | 分子名称: | (2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-11 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QXJ
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![BU of 6qxj by Molmil](/molmil-images/mine/6qxj) | Structure of MBP-Mcl-1 in complex with compound 6a | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | 登録日 | 2019-03-07 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6NQC
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4AKS
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![BU of 4aks by Molmil](/molmil-images/mine/4aks) | PatG macrocyclase domain | 分子名称: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | 著者 | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | 登録日 | 2012-02-28 | 公開日 | 2012-07-18 | 最終更新日 | 2013-11-06 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain. Nat.Struct.Mol.Biol., 19, 2012
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4AKT
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![BU of 4akt by Molmil](/molmil-images/mine/4akt) | PatG macrocyclase in complex with peptide | 分子名称: | SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | 著者 | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | 登録日 | 2012-02-28 | 公開日 | 2012-07-18 | 最終更新日 | 2013-11-06 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain. Nat.Struct.Mol.Biol., 19, 2012
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7ZB0
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![BU of 7zb0 by Molmil](/molmil-images/mine/7zb0) | macrocyclase OphP with 15mer | 分子名称: | 1,2-ETHANEDIOL, 15mer, BICARBONATE ION, ... | 著者 | Song, H, Naismith, J.H. | 登録日 | 2022-03-23 | 公開日 | 2022-07-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides Biorxiv, 2022
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3ZXY
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![BU of 3zxy by Molmil](/molmil-images/mine/3zxy) | Structure of S218A mutant of the protease domain of PatA | 分子名称: | SUBTILISIN-LIKE PROTEIN | 著者 | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | 登録日 | 2011-08-16 | 公開日 | 2012-08-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides. Chembiochem, 13, 2012
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3ZXX
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![BU of 3zxx by Molmil](/molmil-images/mine/3zxx) | Structure of self-cleaved protease domain of PatA | 分子名称: | SUBTILISIN-LIKE PROTEIN | 著者 | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | 登録日 | 2011-08-16 | 公開日 | 2012-08-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides. Chembiochem, 13, 2012
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7R7G
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![BU of 7r7g by Molmil](/molmil-images/mine/7r7g) | |
7R7F
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![BU of 7r7f by Molmil](/molmil-images/mine/7r7f) | |
7R7E
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![BU of 7r7e by Molmil](/molmil-images/mine/7r7e) | |
7ZAZ
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![BU of 7zaz by Molmil](/molmil-images/mine/7zaz) | macrocyclase OphP with ZPP | 分子名称: | 1,2-ETHANEDIOL, BICARBONATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Song, H, Naismith, J.H. | 登録日 | 2022-03-23 | 公開日 | 2022-07-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides Biorxiv, 2022
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6QZY
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![BU of 6qzy by Molmil](/molmil-images/mine/6qzy) | full length OphA V406P in complex with SAH | 分子名称: | ASN-GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-PRO-ILE-GLY, MAGNESIUM ION, Peptide N-methyltransferase, ... | 著者 | Song, H, Naismith, J.H. | 登録日 | 2019-03-12 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase. Acs Chem.Biol., 15, 2020
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6QZZ
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7ZB2
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![BU of 7zb2 by Molmil](/molmil-images/mine/7zb2) | apo macrocyclase OphP | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Song, H, Naismith, J.H. | 登録日 | 2022-03-23 | 公開日 | 2022-07-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides Biorxiv, 2022
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7ZB1
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![BU of 7zb1 by Molmil](/molmil-images/mine/7zb1) | S580A with 18mer | 分子名称: | 1,2-ETHANEDIOL, 18mer, BICARBONATE ION, ... | 著者 | Song, H, Naismith, J.H. | 登録日 | 2022-03-23 | 公開日 | 2022-07-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides Biorxiv, 2022
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