6EXM
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![BU of 6exm by Molmil](/molmil-images/mine/6exm) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-11-08 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EUT
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![BU of 6eut by Molmil](/molmil-images/mine/6eut) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67) | Descriptor: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-10-31 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EUZ
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![BU of 6euz by Molmil](/molmil-images/mine/6euz) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | Descriptor: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-10-31 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EXL
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![BU of 6exl by Molmil](/molmil-images/mine/6exl) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - folded HTH motif | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-11-08 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EUU
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![BU of 6euu by Molmil](/molmil-images/mine/6euu) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29) | Descriptor: | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-10-31 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EV0
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![BU of 6ev0 by Molmil](/molmil-images/mine/6ev0) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129) | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-10-31 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EXK
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![BU of 6exk by Molmil](/molmil-images/mine/6exk) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - unfolded HTH motif | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION, ... | Authors: | Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-11-08 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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7NAB
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![BU of 7nab by Molmil](/molmil-images/mine/7nab) | Crystal structure of human neutralizing mAb CV3-25 binding to SARS-CoV-2 S MPER peptide 1140-1165 | Descriptor: | CITRIC ACID, CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, ... | Authors: | Chen, Y, Tolbert, W.D, Pazgier, M. | Deposit date: | 2021-06-21 | Release date: | 2021-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern. Cell Rep, 38, 2022
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6R9W
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![BU of 6r9w by Molmil](/molmil-images/mine/6r9w) | Crystal structure of InhA in complex with AP-124 inhibitor | Descriptor: | (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Takebayashi, Y, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-04-04 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography. J.Chem.Inf.Model., 60, 2020
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7KMG
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![BU of 7kmg by Molmil](/molmil-images/mine/7kmg) | LY-CoV555 neutralizing antibody against SARS-CoV-2 | Descriptor: | GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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7KMH
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![BU of 7kmh by Molmil](/molmil-images/mine/7kmh) | LY-CoV488 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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7KMI
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![BU of 7kmi by Molmil](/molmil-images/mine/7kmi) | LY-CoV481 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV481 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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6MX8
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![BU of 6mx8 by Molmil](/molmil-images/mine/6mx8) | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | Authors: | Dougan, D.R, Zhou, T. | Deposit date: | 2018-10-30 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J. Med. Chem., 59, 2016
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3RIG
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![BU of 3rig by Molmil](/molmil-images/mine/3rig) | |
3OEI
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![BU of 3oei by Molmil](/molmil-images/mine/3oei) | Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3) | Descriptor: | CITRATE ANION, RelJ (Antitoxin Rv3357), RelK (Toxin Rv3358) | Authors: | Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-08-12 | Release date: | 2011-03-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.145 Å) | Cite: | Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes. Structure, 21, 2013
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3RIY
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3E88
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![BU of 3e88 by Molmil](/molmil-images/mine/3e88) | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | Descriptor: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | Deposit date: | 2008-08-19 | Release date: | 2008-10-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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3E8C
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![BU of 3e8c by Molmil](/molmil-images/mine/3e8c) | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | Descriptor: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | Deposit date: | 2008-08-19 | Release date: | 2008-11-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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3E87
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![BU of 3e87 by Molmil](/molmil-images/mine/3e87) | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | Descriptor: | Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | Deposit date: | 2008-08-19 | Release date: | 2008-10-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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1F46
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![BU of 1f46 by Molmil](/molmil-images/mine/1f46) | THE BACTERIAL CELL-DIVISION PROTEIN ZIPA AND ITS INTERACTION WITH AN FTSZ FRAGMENT REVEALED BY X-RAY CRYSTALLOGRAPHY | Descriptor: | CELL DIVISION PROTEIN ZIPA | Authors: | Mosyak, L, Zhang, Y, Glasfeld, E, Stahl, M, Somers, W.S. | Deposit date: | 2000-06-07 | Release date: | 2001-06-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The bacterial cell-division protein ZipA and its interaction with an FtsZ fragment revealed by X-ray crystallography. EMBO J., 19, 2000
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1F47
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![BU of 1f47 by Molmil](/molmil-images/mine/1f47) | THE BACTERIAL CELL-DIVISION PROTEIN ZIPA AND ITS INTERACTION WITH AN FTSZ FRAGMENT REVEALED BY X-RAY CRYSTALLOGRAPHY | Descriptor: | CELL DIVISION PROTEIN FTSZ, CELL DIVISION PROTEIN ZIPA | Authors: | Mosyak, L, Zhang, Y, Glasfeld, E, Stahl, M, Somers, W.S. | Deposit date: | 2000-06-07 | Release date: | 2001-06-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The bacterial cell-division protein ZipA and its interaction with an FtsZ fragment revealed by X-ray crystallography. EMBO J., 19, 2000
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8JMI
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8JM9
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![BU of 8jm9 by Molmil](/molmil-images/mine/8jm9) | |
8JMA
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8JME
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![BU of 8jme by Molmil](/molmil-images/mine/8jme) | |