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6AP9
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BU of 6ap9 by Molmil
Crystal Structure of hGSTP1-1 with S-nitrosation of Cys101
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-17
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Cysteine S-nitrosylation of hGSTP1-1 by nitric oxide (NO)-releasing prodrugs
to be published
8SC9
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BU of 8sc9 by Molmil
Structure of PPARG in complex with MTX-531
Descriptor: N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ...
Authors:Whitehead, C.E, Leopold, J.
Deposit date:2023-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Structure of PPARG in complex with MTX-531
To Be Published
5FLX
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BU of 5flx by Molmil
Mammalian 40S HCV-IRES complex
Descriptor: 18S RRNA, 40S RIBOSOMAL PROTEIN S10, 40S RIBOSOMAL PROTEIN S11, ...
Authors:Yamamoto, H, Collier, M, Loerke, J, Ismer, J, Schmidt, A, Hilal, T, Sprink, T, Yamamoto, K, Mielke, T, Burger, J, Shaikh, T.R, Dabrowski, M, Hildebrand, P.W, Scheerer, P, Spahn, C.M.T.
Deposit date:2015-10-28
Release date:2015-12-23
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular Architecture of the Ribosome-Bound Hepatitis C Virus Internal Ribosomal Entry Site RNA.
Embo J., 34, 2015
6ZMN
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BU of 6zmn by Molmil
Crystal structure of the Smad3-Smad5 MH1 domain chimera bound to the GGCGC site
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*GP*CP*GP*CP*CP*TP*GP*CP*A)-3'), ...
Authors:Pluta, R, Macias, M.J.
Deposit date:2020-07-03
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.333 Å)
Cite:Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes.
Comput Struct Biotechnol J, 19, 2021
3CGO
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BU of 3cgo by Molmil
IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding
Descriptor: 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide, Mitogen-activated protein kinase 10
Authors:Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Beevers, R.
Deposit date:2008-03-06
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:IRAK-4 inhibitors. Part II: A structure-based assessment of imidazo[1,2-a]pyridine binding
Bioorg.Med.Chem.Lett., 18, 2008
7SFT
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BU of 7sft by Molmil
Filamin complex-2
Descriptor: Filamin-A, Integrin alpha-IIb light chain, form 2
Authors:Liu, J, Qin, J.
Deposit date:2021-10-04
Release date:2023-04-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A mechanism of platelet integrin alpha IIb beta 3 outside-in signaling through a novel integrin alpha IIb subunit-filamin-actin linkage.
Blood, 141, 2023
3ELJ
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BU of 3elj by Molmil
Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor.
Descriptor: 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Mitogen-activated protein kinase 8
Authors:Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L, Vicentini, G, Mosley, J.
Deposit date:2008-09-22
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009
3DD3
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BU of 3dd3 by Molmil
Crystal Structure of the Glutathione Transferase Pi enzyme in complex with the bifunctional inhibitor, Etharapta
Descriptor: (eta6-benzene)ruthenium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, ...
Authors:Parker, L.J.
Deposit date:2008-06-05
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rational design of an organometallic glutathione transferase inhibitor
Angew.Chem.Int.Ed.Engl., 48, 2009
3CSH
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BU of 3csh by Molmil
Crystal Structure of Glutathione Transferase Pi in complex with the Chlorambucil-Glutathione Conjugate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
3CSJ
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BU of 3csj by Molmil
Human glutathione s-transferase p1-1 in complex with chlorambucil
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
3CSI
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BU of 3csi by Molmil
Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
3DGQ
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BU of 3dgq by Molmil
Crystal structure of the glutathione transferase PI enzyme in complex with the bifunctional inhibitor, etharapta
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2008-06-15
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rational design of an organometallic glutathione transferase inhibitor
Angew.Chem.Int.Ed.Engl., 48, 2009
2MAJ
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BU of 2maj by Molmil
Solution Structure of the STIM1 CC1-CC2 homodimer.
Descriptor: Stromal interaction molecule 1
Authors:Stathopulos, P.B, Ikura, M.
Deposit date:2013-07-12
Release date:2014-01-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:STIM1/Orai1 coiled-coil interplay in the regulation of store-operated calcium entry.
Nat Commun, 4, 2013
2MAK
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BU of 2mak by Molmil
Solution structure of the STIM1 CC1-CC2 homodimer in complex with two Orai1 C-terminal domains.
Descriptor: Calcium release-activated calcium channel protein 1, Stromal interaction molecule 1
Authors:Stathopulos, P.B, Ikura, M.
Deposit date:2013-07-12
Release date:2014-01-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:STIM1/Orai1 coiled-coil interplay in the regulation of store-operated calcium entry.
Nat Commun, 4, 2013
2OAD
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BU of 2oad by Molmil
Structure of Glutathione-S-Transferase C169A Mutant
Descriptor: Glutathione S-transferase P 1, S-(P-NITROBENZYL)GLUTATHIONE
Authors:Kyrieleis, O.J, McManus, G, Mantle, T.J, Khan, A.R.
Deposit date:2006-12-15
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Kinetic Analyses of Glutathione S-Transferase Mutations
TO BE PUBLISHED
2OAC
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BU of 2oac by Molmil
Mouse C14A Glutathione-S-Transferase Mutant in Complex with S-(p-nitrobenzyl) Glutathione
Descriptor: Glutathione S-transferase P 1, S-(P-NITROBENZYL)GLUTATHIONE
Authors:Kyrieleis, O.J, McManus, G, Mantle, T.J, Khan, A.R.
Deposit date:2006-12-15
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Kinetic Analyses of Glutathione S-Transferase Mutants
TO BE PUBLISHED
2OA7
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BU of 2oa7 by Molmil
Mouse C14A Glutathione-S-Transferase Mutant in Complex with S-hexyl glutathione
Descriptor: Glutathione S-transferase P 1, S-HEXYLGLUTATHIONE
Authors:Kyrieleis, O.J, McManus, G, Mantle, T.J, Khan, A.R.
Deposit date:2006-12-15
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mouse C14A Glutathione-S-Transferase Mutant in Complex with S-hexyl glutathione
TO BE PUBLISHED
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
Descriptor: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, ...
Authors:Ji, X.
Deposit date:1997-02-17
Release date:1997-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 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
2M6Y
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BU of 2m6y by Molmil
The solution structure of the J-domain of human DnaJA1
Descriptor: DnaJ homolog subfamily A member 1
Authors:Stark, J.L, Mehla, K, Chaika, N, Acton, T.B, Xiao, R, Singh, P.K, Montelione, G.T, Powers, R, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-14
Release date:2013-06-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and function of human DnaJ homologue subfamily a member 1 (DNAJA1) and its relationship to pancreatic cancer.
Biochemistry, 53, 2014
6Y1E
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BU of 6y1e by Molmil
Crystal structure of human glutathione transferase P1-1 (hGSTP1-1) that was co-crystallised in the presence of indanyloxyacetic acid-94 (IAA-94)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid, GLUTATHIONE, ...
Authors:Pandian, R, Worth, R, Thangaraj, V, Sayed, Y, Dirr, H.W.
Deposit date:2020-02-12
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:The interaction of IAA-94 with the soluble conformation of the CLIC1 protein and its structural homolog hGSTP1-1
To Be Published
6GSS
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BU of 6gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-13
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
7GSS
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BU of 7gss by Molmil
Human glutathione S-transferase P1-1, complex with glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-13
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
7KSJ
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BU of 7ksj by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSI
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BU of 7ksi by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSK
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BU of 7ksk by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021

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