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4HXS
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BU of 4hxs by Molmil
Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor
分子名称: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXM
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BU of 4hxm by Molmil
Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor
分子名称: Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXL
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BU of 4hxl by Molmil
Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor
分子名称: 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
6WKY
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BU of 6wky by Molmil
Cryo-EM of Form 1 related peptide filament, 29-24-3
分子名称: peptide 29-24-3
著者Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
登録日2020-04-17
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
3PMT
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BU of 3pmt by Molmil
Crystal structure of the Tudor domain of human Tudor domain-containing protein 3
分子名称: TETRAETHYLENE GLYCOL, Tudor domain-containing protein 3
著者Lam, R, Bian, C.B, Guo, Y.H, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-11-18
公開日2010-12-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of TDRD3 and Methyl-Arginine Binding Characterization of TDRD3, SMN and SPF30.
Plos One, 7, 2012
6OMT
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BU of 6omt by Molmil
HIV-1 capsid hexamer R18D mutant
分子名称: Capsid protein
著者Huang, P, Summers, B.J, Xiong, Y.
登録日2019-04-19
公開日2019-08-21
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献FEZ1 Is Recruited to a Conserved Cofactor Site on Capsid to Promote HIV-1 Trafficking.
Cell Rep, 28, 2019
4J2M
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BU of 4j2m by Molmil
Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template
分子名称: COBALT (II) ION, Phosphotriesterase, putative
著者Rajendran, C, Meier, M, Reinhard, S.
登録日2013-02-04
公開日2013-07-24
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template.
J.Am.Chem.Soc., 135, 2013
5ZKQ
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BU of 5zkq by Molmil
Crystal structure of the human platelet-activating factor receptor in complex with ABT-491
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, ...
著者Cao, C, Zhao, Q, Zhang, X.C, Wu, B.
登録日2018-03-25
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
5ZKP
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Crystal structure of the human platelet-activating factor receptor in complex with SR 27417
分子名称: FLAVIN MONONUCLEOTIDE, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor
著者Cao, C, Zhao, Q, Zhang, X.C, Wu, B.
登録日2018-03-25
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
5WP3
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BU of 5wp3 by Molmil
Crystal Structure of EED in complex with EB22
分子名称: EB22, Polycomb protein EED, UNKNOWN ATOM OR ION
著者Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-08-03
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5JQZ
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BU of 5jqz by Molmil
Designed two-ring homotetramer at 3.8A resolution
分子名称: De novo designed homotetramer
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Oberdorfer, G, Boyken, S.E, Chen, Z.
登録日2016-05-05
公開日2016-06-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.83 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
6M1I
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BU of 6m1i by Molmil
CryoEM structure of human PAC1 receptor in complex with PACAP38
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
登録日2020-02-26
公開日2020-03-11
最終更新日2020-05-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
7MDY
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BU of 7mdy by Molmil
LolCDE nucleotide-bound
分子名称: ADP ORTHOVANADATE, Lipo-releasing system transmembrane protein lolC, Lipoprotein transporter subunit LolE, ...
著者Sharma, S, Liao, M.
登録日2021-04-06
公開日2021-08-11
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
7MDX
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BU of 7mdx by Molmil
LolCDE nucleotide-free
分子名称: (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ...
著者Sharma, S, Liao, M.
登録日2021-04-06
公開日2021-08-11
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
7MET
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BU of 7met by Molmil
A. baumannii MsbA in complex with TBT1 decoupler
分子名称: 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, ATP-dependent lipid A-core flippase
著者Thelot, F, Liao, M.
登録日2021-04-07
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
7MEW
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BU of 7mew by Molmil
E. coli MsbA in complex with G247
分子名称: (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase
著者Thelot, F, Liao, M.
登録日2021-04-08
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
6M1H
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BU of 6m1h by Molmil
CryoEM structure of human PAC1 receptor in complex with maxadilan
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
登録日2020-02-26
公開日2020-03-11
最終更新日2020-05-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
2ZBG
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BU of 2zbg by Molmil
Calcium pump crystal structure with bound AlF4 and TG in the absence of calcium
分子名称: MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
著者Toyoshima, C, Ogawa, H, Norimatsu, Y.
登録日2007-10-20
公開日2007-12-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007
2ZBD
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BU of 2zbd by Molmil
Crystal Structure of the SR Calcium Pump with Bound Aluminium Fluoride, ADP and Calcium
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Toyoshima, C, Nomura, H, Tsuda, T, Ogawa, H, Norimatsu, Y.
登録日2007-10-20
公開日2007-11-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues
Nature, 432, 2004
2ZBE
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BU of 2zbe by Molmil
Calcium pump crystal structure with bound BeF3 in the absence of calcium and TG
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
著者Toyoshima, C, Ogawa, H, Norimatsu, Y.
登録日2007-10-20
公開日2007-12-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007
5VOX
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BU of 5vox by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 1)
分子名称: V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
著者Zhao, J.
登録日2017-05-03
公開日2017-06-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
5VOZ
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BU of 5voz by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 3)
分子名称: Uncharacterized protein, V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, ...
著者Zhao, J.
登録日2017-05-03
公開日2017-06-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
2ZBF
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BU of 2zbf by Molmil
Calcium pump crystal structure with bound BeF3 and TG in the absence of calcium
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
著者Toyoshima, C, Ogawa, H, Norimatsu, Y.
登録日2007-10-20
公開日2007-12-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007

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