7FEH
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![BU of 7feh by Molmil](/molmil-images/mine/7feh) | Crystal structure of human DDR1 in complex with CH5541127 | Descriptor: | Epithelial discoidin domain-containing receptor 1, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide, NITRATE ION | Authors: | Fukami, T.A, Kadono, S, Matsuura, T. | Deposit date: | 2021-07-20 | Release date: | 2022-07-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Novel potent and highly selective DDR1 inhibitors from integrated lead finding Medicinal Chemistry Research, 32, 2023
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4N0S
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![BU of 4n0s by Molmil](/molmil-images/mine/4n0s) | Complex of ERK2 with caffeic acid | Descriptor: | CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Kurinov, I, Malakhova, M. | Deposit date: | 2013-10-02 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7992 Å) | Cite: | Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis. Cancer Prev Res (Phila), 7, 2014
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8D47
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![BU of 8d47 by Molmil](/molmil-images/mine/8d47) | |
8D48
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![BU of 8d48 by Molmil](/molmil-images/mine/8d48) | sd1.040 Fab in complex with SARS-CoV-2 Spike 2P glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, sd1.040 Fab heavy chain, ... | Authors: | Abernathy, M.E, Barnes, C.O. | Deposit date: | 2022-06-01 | Release date: | 2023-01-25 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein. Sci Immunol, 8, 2023
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1TRH
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![BU of 1trh by Molmil](/molmil-images/mine/1trh) | |
4MEY
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![BU of 4mey by Molmil](/molmil-images/mine/4mey) | Crystal structure of Escherichia coli RNA polymerase holoenzyme | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H. | Deposit date: | 2013-08-27 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.948 Å) | Cite: | Transcription inhibition by the depsipeptide antibiotic salinamide A. Elife, 3, 2014
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1CHC
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![BU of 1chc by Molmil](/molmil-images/mine/1chc) | |
5UHG
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![BU of 5uhg by Molmil](/molmil-images/mine/5uhg) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 and Rifampin | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.971 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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5UH6
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![BU of 5uh6 by Molmil](/molmil-images/mine/5uh6) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2ntRNA in complex with Rifampin | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.837 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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5UH8
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![BU of 5uh8 by Molmil](/molmil-images/mine/5uh8) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (4.176 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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5UH9
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![BU of 5uh9 by Molmil](/molmil-images/mine/5uh9) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2nt RNA | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (4.402 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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5UHE
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![BU of 5uhe by Molmil](/molmil-images/mine/5uhe) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.039 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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5UH7
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![BU of 5uh7 by Molmil](/molmil-images/mine/5uh7) | |
5UHD
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![BU of 5uhd by Molmil](/molmil-images/mine/5uhd) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA in complex with Rifampin | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.01 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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5UHC
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![BU of 5uhc by Molmil](/molmil-images/mine/5uhc) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3nt RNA in complex with Rifampin | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.796 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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5UH5
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![BU of 5uh5 by Molmil](/molmil-images/mine/5uh5) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3 nt of RNA | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-10 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.746 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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6TLG
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![BU of 6tlg by Molmil](/molmil-images/mine/6tlg) | Ligand-free state of human 14-3-3 sigma isoform | Descriptor: | 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-12-02 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction. Acs Chem.Biol., 15, 2020
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2IUM
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![BU of 2ium by Molmil](/molmil-images/mine/2ium) | |
1URR
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![BU of 1urr by Molmil](/molmil-images/mine/1urr) | |
5FPV
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![BU of 5fpv by Molmil](/molmil-images/mine/5fpv) | Crystal structure of human JMJD2A in complex with compound KDOAM20A | Descriptor: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ... | Authors: | Srikannathasan, V, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2015-12-03 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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4MR3
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![BU of 4mr3 by Molmil](/molmil-images/mine/4mr3) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MR5
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![BU of 4mr5 by Molmil](/molmil-images/mine/4mr5) | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MZE
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![BU of 4mze by Molmil](/molmil-images/mine/4mze) | Crystal structure of hPIV3 hemagglutinin-neuraminidase, H552Q/Q559R mutant | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2013-09-30 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interaction between the hemagglutinin-neuraminidase and fusion glycoproteins of human parainfluenza virus type III regulates viral growth in vivo. MBio, 4, 2013
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3FTZ
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![BU of 3ftz by Molmil](/molmil-images/mine/3ftz) | Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline | Descriptor: | 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ... | Authors: | Davies, D.R. | Deposit date: | 2009-01-13 | Release date: | 2010-01-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. J.Med.Chem., 53, 2010
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3FUL
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![BU of 3ful by Molmil](/molmil-images/mine/3ful) | |