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5SY6
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BU of 5sy6 by Molmil
Atomic resolution structure of human DJ-1, DTT bound
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
2Y5K
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BU of 2y5k by Molmil
Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
Descriptor: 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA, FRUCTOSE-1,6-BISPHOSPHATASE 1
Authors:Ruf, A, Hebeisen, P, Haap, W, Kuhn, B, Mohr, P, Wessel, H.P, Zutter, U, Kirchner, S, Benz, J, Joseph, C, Alvarez-Sanchez, R, Gubler, M, Schott, B, Benardeau, A, Tozzo, E, Kitas, E.
Deposit date:2011-01-14
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
1OB3
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BU of 1ob3 by Molmil
Structure of P. falciparum PfPK5
Descriptor: CELL DIVISION CONTROL PROTEIN 2 HOMOLOG
Authors:Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J.
Deposit date:2003-01-24
Release date:2004-01-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
6V62
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BU of 6v62 by Molmil
SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine
Descriptor: 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2019-12-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
1J5N
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BU of 1j5n by Molmil
Solution Structure of the Non-Sequence-Specific HMGB protein NHP6A in complex with SRY DNA
Descriptor: 5'-D(*CP*TP*GP*AP*AP*CP*AP*AP*TP*CP*AP*CP*CP*CP*C)-3', 5'-D(*GP*GP*GP*GP*TP*GP*AP*TP*TP*GP*TP*TP*CP*AP*G)-3', Nonhistone chromosomal protein 6A
Authors:Masse, J.E, Wong, B, Yen, Y.-M, Allain, F.H.-T, Johnson, R.C, Feigon, J.
Deposit date:2002-05-15
Release date:2002-10-16
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The S. cerevisiae architectural HMGB protein NHP6A complexed with DNA: DNA and protein conformational changes upon binding
J.Mol.Biol., 323, 2002
2YPB
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BU of 2ypb by Molmil
Structure of the SCL:E47 complex bound to DNA
Descriptor: EBOX FORWARD, EBOX REVERSE, T-CELL ACUTE LYMPHOCYTIC LEUKEMIA PROTEIN 1, ...
Authors:El Omari, K, Hoosdally, S.J, Tuladhar, K, Karia, D, Ponsele, E, Platonova, O, Vyas, P, Patient, R, Porcher, C, Mancini, E.J.
Deposit date:2012-10-30
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural Basis for Lmo2-Driven Recruitment of the Scl:E47bHLH Heterodimer to Hematopoietic-Specific Transcriptional Targets.
Cell Rep., 4, 2013
2Y5L
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BU of 2y5l by Molmil
orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
Descriptor: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
Authors:ruf, a, hebeisen, p, haap, w, kuhn, b, mohr, p, wessel, h.p, zutter, u, kirchner, s, benz, j, joseph, c, alvarez-sanchez, r, gubler, m, schott, b, benardeau, a, tozzo, e, kitas, e.
Deposit date:2011-01-14
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
3F71
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BU of 3f71 by Molmil
Crystal structure of E18D DJ-1 with oxidized C106
Descriptor: Protein DJ-1
Authors:Lakshminarasimhan, M, Wilson, M.A.
Deposit date:2008-11-07
Release date:2008-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Formation of a Stabilized Cysteine Sulfinic Acid Is Critical for the Mitochondrial Function of the Parkinsonism Protein DJ-1.
J.Biol.Chem., 284, 2009
3I60
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BU of 3i60 by Molmil
Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
Descriptor: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
2HAP
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BU of 2hap by Molmil
STRUCTURE OF A HAP1-18/DNA COMPLEX REVEALS THAT PROTEIN/DNA INTERACTIONS CAN HAVE DIRECT ALLOSTERIC EFFECTS ON TRANSCRIPTIONAL ACTIVATION
Descriptor: DNA (5'-D(*AP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*T)-3'), PROTEIN (HEME ACTIVATOR PROTEIN), ...
Authors:King, D.A, Zhang, L, Guarente, L, Marmorstein, R.
Deposit date:1998-09-17
Release date:1999-11-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of HAP1-18-DNA implicates direct allosteric effect of protein-DNA interactions on transcriptional activation.
Nat.Struct.Biol., 6, 1999
1KO9
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BU of 1ko9 by Molmil
Native Structure of the Human 8-oxoguanine DNA Glycosylase hOGG1
Descriptor: 8-oxoguanine DNA glycosylase, SULFATE ION
Authors:Bjoras, M, Seeberg, E, Luna, L, Pearl, L.H, Barrett, T.E.
Deposit date:2001-12-20
Release date:2002-01-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Reciprocal "flipping" underlies substrate recognition and catalytic activation by the human 8-oxo-guanine DNA glycosylase.
J.Mol.Biol., 317, 2002
4BTE
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BU of 4bte by Molmil
DJ-1 Cu(I) complex
Descriptor: COPPER (I) ION, PROTEIN DJ-1
Authors:Puno, M.R.A, Odell, M, Moody, P.C.E.
Deposit date:2013-06-14
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of Cu(I)-Bound Dj-1 Reveals a Biscysteinate Metal Binding Site at the Homodimer Interface: Insights Into Mutational Inactivation of Dj-1 in Parkinsonism.
J.Am.Chem.Soc., 135, 2013
3A29
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BU of 3a29 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor
Descriptor: 2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate, Fructose-1,6-bisphosphatase 1
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-05-08
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
2HWM
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BU of 2hwm by Molmil
Crystal structure of Lys12Val/Cys117Val mutant of human acidic fibroblast growth factor at 1.60 angstrom resolution
Descriptor: FORMIC ACID, Heparin-binding growth factor 1
Authors:Dubey, V.K, Lee, J, Somasundaram, T, Blaber, M.
Deposit date:2006-08-01
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Spackling the crack: stabilizing human fibroblast growth factor-1 by targeting the N and C terminus beta-strand interactions.
J.Mol.Biol., 371, 2007
2HZ9
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BU of 2hz9 by Molmil
Crystal structure of Lys12Val/Asn95Val/Cys117Val mutant of human acidic fibroblast growth factor at 1.70 angstrom resolution.
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Dubey, V.K, Lee, J, Somasundaram, T, Blaber, M.
Deposit date:2006-08-08
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Spackling the Crack: Stabilizing Human Fibroblast Growth Factor-1 by Targeting the N and C terminus beta-Strand Interactions
J.Mol.Biol., 371, 2007
5MPE
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BU of 5mpe by Molmil
26S proteasome in presence of ATP (s2)
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
Authors:Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
Deposit date:2016-12-16
Release date:2017-03-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
4IZA
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BU of 4iza by Molmil
Structure of Dually Phosphorylated ERK2 bound to the PEA-15 Death Effector Domain
Descriptor: Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1
Authors:Mace, P.D, Robinson, H, Riedl, S.J.
Deposit date:2013-01-29
Release date:2013-04-10
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
5MPD
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BU of 5mpd by Molmil
26S proteasome in presence of ATP (s1)
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
Authors:Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
Deposit date:2016-12-16
Release date:2017-03-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6EKJ
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BU of 6ekj by Molmil
Crystal structure of mammalian Rev7 in complex with human Chromosome alignment-maintaining phosphoprotein 1
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Chromosome alignment-maintaining phosphoprotein 1, Mitotic spindle assembly checkpoint protein MAD2B
Authors:Huber, F, Tropia, L, Emamzadah, S, Halazonetis, T.
Deposit date:2017-09-26
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of mammalian Rev7 in complex with Champ1 - CAPS molecule
To Be Published
4IZ5
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BU of 4iz5 by Molmil
Structure of the complex between ERK2 phosphomimetic mutant and PEA-15
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, ...
Authors:Mace, P.D, Robinson, H, Riedl, S.J.
Deposit date:2013-01-29
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
4IZ7
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BU of 4iz7 by Molmil
Structure of Non-Phosphorylated ERK2 bound to the PEA-15 Death Effector Domain
Descriptor: Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, SODIUM ION
Authors:Mace, P.D, Robinson, H, Riedl, S.J.
Deposit date:2013-01-29
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
3UVN
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BU of 3uvn by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A
Descriptor: Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5
Authors:Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
Deposit date:2011-11-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
6EKL
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BU of 6ekl by Molmil
Crystal structure of mammalian Rev7 in complex with human Chromosome alignment-maintaining phosphoprotein 1
Descriptor: Chromosome alignment-maintaining phosphoprotein 1, Mitotic spindle assembly checkpoint protein MAD2B
Authors:Huber, F, Tropia, L, Emamzadah, S, Halazonetis, T.
Deposit date:2017-09-26
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of mammalian Rev7 in complex with Champ1
To Be Published
3S7D
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BU of 3s7d by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
Descriptor: (R,R)-2,3-BUTANEDIOL, Monomethylated p53 peptide, N-lysine methyltransferase SMYD2, ...
Authors:Ferguson, A.D.
Deposit date:2011-05-26
Release date:2011-08-10
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011

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