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7FEH
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BU of 7feh by Molmil
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
4N0S
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BU of 4n0s by Molmil
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
8D47
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BU of 8d47 by Molmil
fp.006 Fab in complex with SARS-CoV-2 Fusion Peptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Abernathy, M.E, Barnes, C.O.
Deposit date:2022-06-01
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein.
Sci Immunol, 8, 2023
8D48
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BU of 8d48 by Molmil
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
1TRH
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BU of 1trh by Molmil
TWO CONFORMATIONAL STATES OF CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
Authors:Grochulski, P, Cygler, M.
Deposit date:1993-11-18
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two conformational states of Candida rugosa lipase.
Protein Sci., 3, 1994
4MEY
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BU of 4mey by Molmil
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
1CHC
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BU of 1chc by Molmil
STRUCTURE OF THE C3HC4 DOMAIN BY 1H-NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; A NEW STRUCTURAL CLASS OF ZINC-FINGER
Descriptor: EQUINE HERPES VIRUS-1 RING DOMAIN, ZINC ION
Authors:Barlow, P.N, Everett, R.D, Luisi, B.
Deposit date:1994-02-02
Release date:1994-04-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the C3HC4 domain by 1H-nuclear magnetic resonance spectroscopy. A new structural class of zinc-finger.
J.Mol.Biol., 237, 1994
5UHG
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BU of 5uhg by Molmil
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
5UH6
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BU of 5uh6 by Molmil
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
5UH8
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BU of 5uh8 by Molmil
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
5UH9
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BU of 5uh9 by Molmil
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
5UHE
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BU of 5uhe by Molmil
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
5UH7
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BU of 5uh7 by Molmil
Crystal structure of beta'MtbSI of Mycobacterium tuberculosis RNA polymerase
Descriptor: DNA-directed RNA polymerase subunit beta'
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHD
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BU of 5uhd by Molmil
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
5UHC
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BU of 5uhc by Molmil
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
5UH5
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BU of 5uh5 by Molmil
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
6TLG
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BU of 6tlg by Molmil
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
2IUM
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BU of 2ium by Molmil
Structure of the C-terminal head domain of the avian adenovirus CELO long fibre (C2 crystal form)
Descriptor: AVIAN ADENOVIRUS CELO LONG FIBRE
Authors:Guardado-Calvo, P, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J.
Deposit date:2006-06-06
Release date:2007-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber.
J. Gen. Virol., 88, 2007
1URR
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BU of 1urr by Molmil
A novel Drosophila Melanogaster Acylphosphatase (AcPDro2)
Descriptor: CG18505 PROTEIN, GLYCEROL
Authors:Rosano, C, Zuccotti, S, Bolognesi, M.
Deposit date:2003-11-03
Release date:2004-05-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Three-Dimensional Structural Characterization of a Novel Drosophila Melanogaster Acylphosphatase
Acta Crystallogr.,Sect.D, 60, 2004
5FPV
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BU of 5fpv by Molmil
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
4MR3
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BU of 4mr3 by Molmil
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
4MR5
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BU of 4mr5 by Molmil
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
4MZE
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BU of 4mze by Molmil
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
3FTZ
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BU of 3ftz by Molmil
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
3FUL
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BU of 3ful by Molmil
Leukotriene A4 hydrolase in complex with pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Descriptor: IMIDAZOLE, Leukotriene A-4 hydrolase, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.39 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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