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3SL8
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BU of 3sl8 by Molmil
Crystal structure of the catalytic domain of PDE4D2 with compound 10o
分子名称: 1,2-ETHANEDIOL, 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate, DI(HYDROXYETHYL)ETHER, ...
著者Feil, S.F.
登録日2011-06-24
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
3SL5
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BU of 3sl5 by Molmil
Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Feil, S.F.
登録日2011-06-24
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
3SL3
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BU of 3sl3 by Molmil
Crystal structure of the apo form of the catalytic domain of PDE4D2
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Feil, S.F.
登録日2011-06-24
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
1NXJ
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BU of 1nxj by Molmil
Structure of Rv3853 from Mycobacterium tuberculosis
分子名称: GLYOXYLIC ACID, L(+)-TARTARIC ACID, Probable S-adenosylmethionine:2-demethylmenaquinone methyltransferase
著者Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2003-02-10
公開日2003-07-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a Putative Methyltransferase from Mycobacterium tuberculosis: Misannotation of a Genome Clarified by Protein Structural Analysis
J.Bacteriol., 185, 2003
6CT2
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BU of 6ct2 by Molmil
MYST histone acetyltransferase KAT6A/B in complex with WM-1119
分子名称: 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ...
著者Ren, B, Peat, T.S.
登録日2018-03-22
公開日2018-08-01
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.128 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
6VKA
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BU of 6vka by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
分子名称: 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-01-19
公開日2021-01-20
実験手法X-RAY DIFFRACTION (1.863 Å)
主引用文献HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
6VLH
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BU of 6vlh by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
分子名称: (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-01-24
公開日2021-01-27
実験手法X-RAY DIFFRACTION (2.036 Å)
主引用文献HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
3C0N
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BU of 3c0n by Molmil
Crystal structure of the proaerolysin mutant Y221G at 2.2 A
分子名称: Aerolysin
著者Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
登録日2008-01-21
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
3C0O
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BU of 3c0o by Molmil
Crystal structure of the proaerolysin mutant Y221G complexed with mannose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Aerolysin
著者Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
登録日2008-01-21
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
3C0M
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BU of 3c0m by Molmil
Crystal structure of the proaerolysin mutant Y221G
分子名称: Aerolysin
著者Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
登録日2008-01-21
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
7L23
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BU of 7l23 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
分子名称: 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-12-16
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
To Be Published
3PGT
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BU of 3pgt by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1[I104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ...
著者Ji, X, Xiao, B.
登録日1999-03-22
公開日1999-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
2BK1
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BU of 2bk1 by Molmil
The pore structure of pneumolysin, obtained by fitting the alpha carbon trace of perfringolysin O into a cryo-EM map
分子名称: PERFRINGOLYSIN O
著者Tilley, S.J, Orlova, E.V, Gilbert, R.J.C, Andrew, P.W, Saibil, H.R.
登録日2005-02-10
公開日2005-05-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (29 Å)
主引用文献Structural Basis of Pore Formation by the Bacterial Toxin Pneumolysin
Cell(Cambridge,Mass.), 121, 2005
2BK2
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BU of 2bk2 by Molmil
The prepore structure of pneumolysin, obtained by fitting the alpha carbon trace of perfringolysin O into a cryo-EM map
分子名称: PERFRINGOLYSIN O
著者Tilley, S.J, Orlova, E.V, Gilbert, R.J.C, Andrew, P.W, Saibil, H.R.
登録日2005-02-10
公開日2005-05-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (28 Å)
主引用文献Structural Basis of Pore Formation by the Bacterial Toxin Pneumolysin
Cell(Cambridge,Mass.), 121, 2005
5BUO
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BU of 5buo by Molmil
A receptor molecule
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETATE ION, Amyloid beta A4 protein, ...
著者Gao, C, Crespi, G.A.N, Gorman, M.A, Nero, T.L, Parker, M.W, Miles, L.A.
登録日2015-06-04
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献NULL
To Be Published
2PHM
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BU of 2phm by Molmil
STRUCTURE OF PHENYLALANINE HYDROXYLASE DEPHOSPHORYLATED
分子名称: FE (III) ION, PROTEIN (PHENYLALANINE-4-HYDROXYLASE)
著者Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E.
登録日1998-11-11
公開日1999-04-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of autoregulation of phenylalanine hydroxylase.
Nat.Struct.Biol., 6, 1999
2PGT
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BU of 2pgt by Molmil
CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
分子名称: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, ...
著者Ji, X.
登録日1997-02-17
公開日1997-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
Biochemistry, 36, 1997
1AQW
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BU of 1aqw by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
著者Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
登録日1997-08-03
公開日1998-03-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1AQX
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BU of 1aqx by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX
分子名称: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE
著者Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
登録日1997-08-03
公開日1998-03-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1GNE
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BU of 1gne by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
分子名称: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
著者Lim, K, Ho, J.X, Keeling, K, Gilliland, G.L, Ji, X, Ruker, F, Carter, D.C.
登録日1994-06-16
公開日1994-11-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV.
Protein Sci., 3, 1994
3G4O
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BU of 3g4o by Molmil
Crystal structure of the activated aerolysin mutant H132N
分子名称: Aerolysin
著者Pernot, L, Schiltz, M, van der Goot, G.
登録日2009-02-04
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011
3G4N
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BU of 3g4n by Molmil
Crystal structure of the activated aerolysin mutant H132D
分子名称: Aerolysin
著者Pernot, L, Schiltz, M, van der Goot, G.
登録日2009-02-04
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011
4PGT
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BU of 4pgt by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ...
著者Ji, X, Blaszczyk, J.
登録日1999-03-22
公開日1999-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
1OPF
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BU of 1opf by Molmil
THE STRUCTURE OF OMPF PORIN IN A TETRAGONAL CRYSTAL FORM
分子名称: MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Cowan, S.W, Schirmer, T, Pauptit, R.A, Jansonius, J.N.
登録日1994-11-21
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structure of OmpF porin in a tetragonal crystal form.
Structure, 3, 1995
1PHZ
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BU of 1phz by Molmil
STRUCTURE OF PHOSPHORYLATED PHENYLALANINE HYDROXYLASE
分子名称: FE (III) ION, PROTEIN (PHENYLALANINE HYDROXYLASE)
著者Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E.
登録日1998-11-11
公開日1999-04-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of autoregulation of phenylalanine hydroxylase.
Nat.Struct.Biol., 6, 1999

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