4EYU
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4CFL
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![BU of 4cfl by Molmil](/molmil-images/mine/4cfl) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511 | Descriptor: | 1,2-ETHANEDIOL, 8-phenyl-2-piperazin-1-yl-chromen-4-one, BRD4 PROTEIN, ... | Authors: | Chung, C, Dittmann, A, Drewes, G. | Deposit date: | 2013-11-18 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains. Acs Chem.Biol., 9, 2014
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4EZ4
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![BU of 4ez4 by Molmil](/molmil-images/mine/4ez4) | free KDM6B structure | Descriptor: | Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ... | Authors: | Cheng, Z.J, Patel, D.J. | Deposit date: | 2012-05-02 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response. Nature, 488, 2012
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4CFK
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![BU of 4cfk by Molmil](/molmil-images/mine/4cfk) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002 | Descriptor: | 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, BRD4 PROTEIN, ... | Authors: | Chung, C, Dittmann, A, Drewes, G. | Deposit date: | 2013-11-18 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains. Acs Chem.Biol., 9, 2014
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2PI6
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![BU of 2pi6 by Molmil](/molmil-images/mine/2pi6) | Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chitinase-3-like protein 1, ETHANOL, ... | Authors: | Sharma, P, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P. | Deposit date: | 2007-04-13 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Tryptophan as a three-way switch in regulating the function of the secretory signalling glycoprotein (SPS-40) from mammary glands: structure of SPS-40 complexed with 2-methylpentane-2,4-diol at 1.6 A resolution. Acta Crystallogr.,Sect.D, 65, 2009
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353D
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![BU of 353d by Molmil](/molmil-images/mine/353d) | CRYSTAL STRUCTURE OF DOMAIN A OF THERMUS FLAVUS 5S RRNA AND THE CONTRIBUTION OF WATER MOLECULES TO ITS STRUCTURE | Descriptor: | RNA (5'-R(*AP*UP*CP*CP*CP*CP*CP*GP*UP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*UP*GP*CP*GP*GP*GP*GP*GP*AP*U)-3') | Authors: | Betzel, C, Lorenz, S, Furste, J.P, Bald, R, Zhang, M, Schneider, T.R, Wilson, K.S, Erdmann, V.A. | Deposit date: | 1997-09-29 | Release date: | 1997-11-10 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of domain A of Thermus flavus 5S rRNA and the contribution of water molecules to its structure. FEBS Lett., 351, 1994
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4EZH
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2XUE
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![BU of 2xue by Molmil](/molmil-images/mine/2xue) | CRYSTAL STRUCTURE OF JMJD3 | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | Authors: | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | Deposit date: | 2010-10-19 | Release date: | 2011-12-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
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6G5S
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![BU of 6g5s by Molmil](/molmil-images/mine/6g5s) | Solution structure of the TPR domain of the cell division coordinator, CpoB | Descriptor: | Cell division coordinator CpoB | Authors: | Simorre, J.P, Maya Martinez, R.C, Bougault, C, Vollmer, W, Egan, A. | Deposit date: | 2018-03-29 | Release date: | 2018-08-08 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Induced conformational changes activate the peptidoglycan synthase PBP1B. Mol. Microbiol., 110, 2018
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6FZK
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![BU of 6fzk by Molmil](/molmil-images/mine/6fzk) | NMR structure of UB2H, regulatory domain of PBP1b from E. coli | Descriptor: | Penicillin-binding protein 1B | Authors: | Simorre, J.P, Maya Martinez, R.C, Bougault, C, Egan, A.J.F, Vollmer, W. | Deposit date: | 2018-03-15 | Release date: | 2019-02-20 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Induced conformational changes activate the peptidoglycan synthase PBP1B. Mol. Microbiol., 110, 2018
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4NY3
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![BU of 4ny3 by Molmil](/molmil-images/mine/4ny3) | Human PTPA in complex with peptide | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein phosphatase 2A activator, ... | Authors: | Loew, C, Quistgaard, E.M, Nordlund, P. | Deposit date: | 2013-12-10 | Release date: | 2014-07-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Structural basis for PTPA interaction with the invariant C-terminal tail of PP2A. Biol.Chem., 395, 2014
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6SAR
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![BU of 6sar by Molmil](/molmil-images/mine/6sar) | E coli BepA/YfgC | Descriptor: | Beta-barrel assembly-enhancing protease, SULFATE ION, ZINC ION | Authors: | Lovering, A.L, Cadby, I.T. | Deposit date: | 2019-07-17 | Release date: | 2020-08-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-Function Characterization of the Conserved Regulatory Mechanism of the Escherichia coli M48 Metalloprotease BepA. J.Bacteriol., 203, 2020
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7P6V
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![BU of 7p6v by Molmil](/molmil-images/mine/7p6v) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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7P6Y
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![BU of 7p6y by Molmil](/molmil-images/mine/7p6y) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef | Descriptor: | 4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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7P6W
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![BU of 7p6w by Molmil](/molmil-images/mine/7p6w) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3bg | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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7PJF
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![BU of 7pjf by Molmil](/molmil-images/mine/7pjf) | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | Descriptor: | Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | Deposit date: | 2021-08-24 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.862 Å) | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent. Embo Mol Med, 13, 2021
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7PJE
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![BU of 7pje by Molmil](/molmil-images/mine/7pje) | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | Descriptor: | Darpin D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | Deposit date: | 2021-08-24 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent. Embo Mol Med, 13, 2021
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4XTQ
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![BU of 4xtq by Molmil](/molmil-images/mine/4xtq) | Crystal structure of a mutant (C20S) of a near-infrared fluorescent protein BphP1-FP | Descriptor: | 3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, BphP1-FP/C20S, CHLORIDE ION | Authors: | Pletnev, S, Malashkevich, V.N. | Deposit date: | 2015-01-23 | Release date: | 2015-12-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Molecular Basis of Spectral Diversity in Near-Infrared Phytochrome-Based Fluorescent Proteins. Chem.Biol., 22, 2015
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1L3P
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![BU of 1l3p by Molmil](/molmil-images/mine/1l3p) | CRYSTAL STRUCTURE OF THE FUNCTIONAL DOMAIN OF THE MAJOR GRASS POLLEN ALLERGEN Phl p 5b | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, POLLEN ALLERGEN Phl p 5b | Authors: | Rajashankar, K.R, Bufe, A, Weber, W, Eschenburg, S, Lindner, B, Betzel, C. | Deposit date: | 2002-02-28 | Release date: | 2003-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the functional domain of the major grass-pollen allergen Phlp 5b. Acta Crystallogr.,Sect.D, 58, 2002
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6J42
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![BU of 6j42 by Molmil](/molmil-images/mine/6j42) | Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena | Descriptor: | Alr3090 protein, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Bihani, S.C, Chakravarty, D, Ballal, A. | Deposit date: | 2019-01-07 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | Novel molecular insights into the anti-oxidative stress response and structure-function of a salt-inducible cyanobacterial Mn-catalase. Plant Cell Environ, 42, 2019
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2NUV
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![BU of 2nuv by Molmil](/molmil-images/mine/2nuv) | Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution | Descriptor: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | Authors: | Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2006-11-10 | Release date: | 2006-12-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution To be Published
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1LDG
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![BU of 1ldg by Molmil](/molmil-images/mine/1ldg) | PLASMODIUM FALCIPARUM L-LACTATE DEHYDROGENASE COMPLEXED WITH NADH AND OXAMATE | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE, OXAMIC ACID | Authors: | Dunn, C, Banfield, M, Barker, J, Higham, C, Moreton, K, Turgut-Balik, D, Brady, L, Holbrook, J.J. | Deposit date: | 1996-09-10 | Release date: | 1997-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The structure of lactate dehydrogenase from Plasmodium falciparum reveals a new target for anti-malarial design. Nat.Struct.Biol., 3, 1996
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7LSD
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5LLI
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![BU of 5lli by Molmil](/molmil-images/mine/5lli) | pVHL:EloB:EloC in complex with VH298 | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A. | Deposit date: | 2016-07-27 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Potent and selective chemical probe of hypoxic signalling downstream of HIF-alpha hydroxylation via VHL inhibition. Nat Commun, 7, 2016
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8RI9
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![BU of 8ri9 by Molmil](/molmil-images/mine/8ri9) | Late alpha-Synuclein fibril structure from liquid-liquid phase separations. | Descriptor: | Alpha-synuclein | Authors: | De Simone, A, Barritt, J.D, Chen, S, Cascella, R, Cecchi, C, Bigi, A, Jarvis, J.A, Chiti, F, Dobson, C.M, Fusco, G. | Deposit date: | 2023-12-18 | Release date: | 2024-03-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-Toxicity Relationship in Intermediate Fibrils from alpha-Synuclein Condensates. J.Am.Chem.Soc., 146, 2024
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