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3SL6
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BU of 3sl6 by Molmil
Crystal structure of the catalytic domain of PDE4D2 with compound 12c
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Feil, S.F.
Deposit date:2011-06-24
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
3EIN
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BU of 3ein by Molmil
Delta class GST
Descriptor: GLUTATHIONE, Glutathione S-transferase 1-1
Authors:Feil, S.C.
Deposit date:2008-09-17
Release date:2009-09-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.126 Å)
Cite:Probing insect detoxification systems
To be Published
3SL5
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BU of 3sl5 by Molmil
Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Feil, S.F.
Deposit date:2011-06-24
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
6CT2
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BU of 6ct2 by Molmil
MYST histone acetyltransferase KAT6A/B in complex with WM-1119
Descriptor: 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ...
Authors:Ren, B, Peat, T.S.
Deposit date:2018-03-22
Release date:2018-08-01
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.128 Å)
Cite:Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
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
Descriptor: 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-12-16
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
To Be Published
1NXJ
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BU of 1nxj by Molmil
Structure of Rv3853 from Mycobacterium tuberculosis
Descriptor: GLYOXYLIC ACID, L(+)-TARTARIC ACID, Probable S-adenosylmethionine:2-demethylmenaquinone methyltransferase
Authors:Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-02-10
Release date:2003-07-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a Putative Methyltransferase from Mycobacterium tuberculosis: Misannotation of a Genome Clarified by Protein Structural Analysis
J.Bacteriol., 185, 2003
4RKK
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BU of 4rkk by Molmil
Structure of a product bound phosphatase
Descriptor: Laforin, PHOSPHATE ION, alpha-D-glucopyranose, ...
Authors:Vander Kooi, C.W.
Deposit date:2014-10-13
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism of laforin function in glycogen dephosphorylation and lafora disease.
Mol.Cell, 57, 2015
6VKA
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BU of 6vka by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
Descriptor: 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, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-01-19
Release date:2021-01-20
Method:X-RAY DIFFRACTION (1.863 Å)
Cite: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
Descriptor: (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, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-01-24
Release date:2021-01-27
Method:X-RAY DIFFRACTION (2.036 Å)
Cite: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
Descriptor: Aerolysin
Authors:Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
Deposit date:2008-01-21
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Aerolysin
Authors:Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
Deposit date:2008-01-21
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Aerolysin
Authors:Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
Deposit date:2008-01-21
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
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
Descriptor: PERFRINGOLYSIN O
Authors:Tilley, S.J, Orlova, E.V, Gilbert, R.J.C, Andrew, P.W, Saibil, H.R.
Deposit date:2005-02-10
Release date:2005-05-04
Last modified:2017-04-19
Method:ELECTRON MICROSCOPY (29 Å)
Cite: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
Descriptor: PERFRINGOLYSIN O
Authors:Tilley, S.J, Orlova, E.V, Gilbert, R.J.C, Andrew, P.W, Saibil, H.R.
Deposit date:2005-02-10
Release date:2005-05-04
Last modified:2013-01-16
Method:ELECTRON MICROSCOPY (28 Å)
Cite:Structural Basis of Pore Formation by the Bacterial Toxin Pneumolysin
Cell(Cambridge,Mass.), 121, 2005
2PHM
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BU of 2phm by Molmil
STRUCTURE OF PHENYLALANINE HYDROXYLASE DEPHOSPHORYLATED
Descriptor: FE (III) ION, PROTEIN (PHENYLALANINE-4-HYDROXYLASE)
Authors:Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E.
Deposit date:1998-11-11
Release date:1999-04-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of autoregulation of phenylalanine hydroxylase.
Nat.Struct.Biol., 6, 1999
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
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Lim, K, Ho, J.X, Keeling, K, Gilliland, G.L, Ji, X, Ruker, F, Carter, D.C.
Deposit date:1994-06-16
Release date:1994-11-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
1AQW
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BU of 1aqw by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
Deposit date:1997-08-03
Release date:1998-03-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE
Authors:Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
Deposit date:1997-08-03
Release date:1998-03-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
3PGT
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BU of 3pgt by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1[I104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE
Descriptor: 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), ...
Authors:Ji, X, Xiao, B.
Deposit date:1999-03-22
Release date:1999-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite: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
3G4N
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BU of 3g4n by Molmil
Crystal structure of the activated aerolysin mutant H132D
Descriptor: Aerolysin
Authors:Pernot, L, Schiltz, M, van der Goot, G.
Deposit date:2009-02-04
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011
3G4O
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BU of 3g4o by Molmil
Crystal structure of the activated aerolysin mutant H132N
Descriptor: Aerolysin
Authors:Pernot, L, Schiltz, M, van der Goot, G.
Deposit date:2009-02-04
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011
5BUO
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BU of 5buo by Molmil
A receptor molecule
Descriptor: 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, ...
Authors:Gao, C, Crespi, G.A.N, Gorman, M.A, Nero, T.L, Parker, M.W, Miles, L.A.
Deposit date:2015-06-04
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:NULL
To Be Published
1OPF
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BU of 1opf by Molmil
THE STRUCTURE OF OMPF PORIN IN A TETRAGONAL CRYSTAL FORM
Descriptor: MATRIX PORIN OUTER MEMBRANE PROTEIN F
Authors:Cowan, S.W, Schirmer, T, Pauptit, R.A, Jansonius, J.N.
Deposit date:1994-11-21
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: FE (III) ION, PROTEIN (PHENYLALANINE HYDROXYLASE)
Authors:Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E.
Deposit date:1998-11-11
Release date:1999-04-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of autoregulation of phenylalanine hydroxylase.
Nat.Struct.Biol., 6, 1999
1PGT
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BU of 1pgt by Molmil
CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH S-HEXYLGLUTATHIONE
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
Authors:Ji, X.
Deposit date:1997-02-17
Release date:1997-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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

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