4XTW
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![BU of 4xtw by Molmil](/molmil-images/mine/4xtw) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH | Descriptor: | 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.30014467 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XTZ
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4XU2
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![BU of 4xu2 by Molmil](/molmil-images/mine/4xu2) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose | Descriptor: | 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8500284 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XU0
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![BU of 4xu0 by Molmil](/molmil-images/mine/4xu0) | |
4XU3
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![BU of 4xu3 by Molmil](/molmil-images/mine/4xu3) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has an acyclic ether in place of the ribose | Descriptor: | Bifunctional ligase/repressor BirA, CHLORIDE ION, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.242677 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XTV
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![BU of 4xtv by Molmil](/molmil-images/mine/4xtv) | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36 (N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) | Descriptor: | Bifunctional ligase/repressor BirA, N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45000839 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XU1
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![BU of 4xu1 by Molmil](/molmil-images/mine/4xu1) | |
3B7V
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![BU of 3b7v by Molmil](/molmil-images/mine/3b7v) | HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate NLLTQI | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Kovalevsky, A.Y, Chumanevich, A.A, Weber, I.T. | Deposit date: | 2007-10-31 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate. Biochemistry, 46, 2007
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4WYC
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![BU of 4wyc by Molmil](/molmil-images/mine/4wyc) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole benzamide inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-(1H-imidazol-1-yl)benzamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R, Geders, T.W. | Deposit date: | 2014-11-17 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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4WYF
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4WYD
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![BU of 4wyd by Molmil](/molmil-images/mine/4wyd) | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Mycobacterium tuberculosis complexed with a fragment from DSF screening | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Dai, R, Finzel, B.C, Geders, T.W. | Deposit date: | 2014-11-17 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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3B80
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![BU of 3b80 by Molmil](/molmil-images/mine/3b80) | HIV-1 protease mutant I54V complexed with gem-diol-amine intermediate NLLTQI | Descriptor: | CHLORIDE ION, Protease, SODIUM ION, ... | Authors: | Chumanevich, A.A, Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2007-10-31 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate. Biochemistry, 46, 2007
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4WYA
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![BU of 4wya by Molmil](/molmil-images/mine/4wya) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a fragment hit | Descriptor: | 5-(pyridin-2-yl)thiophene-2-carboxamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Finzel, B.C, Dai, D, Geders, T.W. | Deposit date: | 2014-11-17 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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4WYG
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![BU of 4wyg by Molmil](/molmil-images/mine/4wyg) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a fragment hit | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Dai, R, Finzel, B.C. | Deposit date: | 2014-11-17 | Release date: | 2015-07-08 | Last modified: | 2015-07-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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3C5L
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![BU of 3c5l by Molmil](/molmil-images/mine/3c5l) | |
3FVH
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![BU of 3fvh by Molmil](/molmil-images/mine/3fvh) | |
3HIH
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![BU of 3hih by Molmil](/molmil-images/mine/3hih) | |
3HIK
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![BU of 3hik by Molmil](/molmil-images/mine/3hik) | Structure of human Plk1-PBD in complex with PLHSpT | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pentamer phosphopeptide, ... | Authors: | Wlodawer, A, Moulaei, T. | Deposit date: | 2009-05-20 | Release date: | 2009-06-09 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1. Nat.Struct.Mol.Biol., 16, 2009
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3P9H
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![BU of 3p9h by Molmil](/molmil-images/mine/3p9h) | |
7BI9
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![BU of 7bi9 by Molmil](/molmil-images/mine/7bi9) | PI3KC2a core in complex with PIK90 | Descriptor: | 1,2-ETHANEDIOL, N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2021-01-12 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function. Nat.Struct.Mol.Biol., 29, 2022
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7BI6
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![BU of 7bi6 by Molmil](/molmil-images/mine/7bi6) | PI3KC2a core in complex with ATP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2021-01-12 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function. Nat.Struct.Mol.Biol., 29, 2022
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7BI4
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![BU of 7bi4 by Molmil](/molmil-images/mine/7bi4) | PI3KC2a core apo | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2021-01-12 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function. Nat.Struct.Mol.Biol., 29, 2022
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7BI2
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![BU of 7bi2 by Molmil](/molmil-images/mine/7bi2) | PI3KC2aDeltaN and DeltaC-C2 | Descriptor: | 1,2-ETHANEDIOL, 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, IODIDE ION, ... | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2021-01-12 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function. Nat.Struct.Mol.Biol., 29, 2022
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7UE9
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![BU of 7ue9 by Molmil](/molmil-images/mine/7ue9) | Structure of anti-C3d Fab(3d8b) in complex with C3d | Descriptor: | Complement C3dg fragment, Fab heavy chain, Fab light chain, ... | Authors: | Olland, A.M, White, A, Suto, R.K. | Deposit date: | 2022-03-21 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development and Optimization of Bifunctional Fusion Proteins to Locally Modulate Complement Activation in Diseased Tissue. Front Immunol, 13, 2022
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3P9G
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![BU of 3p9g by Molmil](/molmil-images/mine/3p9g) | |