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7FEH
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BU of 7feh by Molmil
Crystal structure of human DDR1 in complex with CH5541127
分子名称: Epithelial discoidin domain-containing receptor 1, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide, NITRATE ION
著者Fukami, T.A, Kadono, S, Matsuura, T.
登録日2021-07-20
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献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
分子名称: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Kurinov, I, Malakhova, M.
登録日2013-10-02
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7992 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Abernathy, M.E, Barnes, C.O.
登録日2022-06-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, sd1.040 Fab heavy chain, ...
著者Abernathy, M.E, Barnes, C.O.
登録日2022-06-01
公開日2023-01-25
最終更新日2023-03-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
著者Grochulski, P, Cygler, M.
登録日1993-11-18
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H.
登録日2013-08-27
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.948 Å)
主引用文献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
分子名称: EQUINE HERPES VIRUS-1 RING DOMAIN, ZINC ION
著者Barlow, P.N, Everett, R.D, Luisi, B.
登録日1994-02-02
公開日1994-04-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
分子名称: 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, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.971 Å)
主引用文献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
分子名称: 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, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.837 Å)
主引用文献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
分子名称: 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, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.176 Å)
主引用文献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
分子名称: 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, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.402 Å)
主引用文献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
分子名称: 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, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.039 Å)
主引用文献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
分子名称: DNA-directed RNA polymerase subunit beta'
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献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
分子名称: 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, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献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
分子名称: 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, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.796 Å)
主引用文献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
分子名称: 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, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-10
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.746 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-02
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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)
分子名称: AVIAN ADENOVIRUS CELO LONG FIBRE
著者Guardado-Calvo, P, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J.
登録日2006-06-06
公開日2007-06-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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)
分子名称: CG18505 PROTEIN, GLYCEROL
著者Rosano, C, Zuccotti, S, Bolognesi, M.
登録日2003-11-03
公開日2004-05-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ...
著者Srikannathasan, V, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2015-12-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献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)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
著者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)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献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)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
著者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)
登録日2013-09-17
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Xu, R, Wilson, I.A.
登録日2013-09-30
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-13
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, YTTERBIUM (III) ION, ...
著者Davies, D.R.
登録日2009-01-14
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献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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