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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
1M48
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BU of 1m48 by Molmil
Crystal Structure of Human IL-2 Complexed with (R)-N-[2-[1-(Aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L-phenylalanine methyl ester
Descriptor: 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
3SF8
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BU of 3sf8 by Molmil
Structural insights into thiol stabilization of DJ-1
Descriptor: Protein DJ-1
Authors:Premkumar, L, Dobaczewska, M.K, Riedl, S.J.
Deposit date:2011-06-13
Release date:2011-10-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Identification of an artificial peptide motif that binds and stabilizes reduced human DJ-1.
J.Struct.Biol., 176, 2011
1TTU
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BU of 1ttu by Molmil
Crystal Structure of CSL bound to DNA
Descriptor: 1,2-ETHANEDIOL, 5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3', 5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3', ...
Authors:Kovall, R.A, Hendrickson, W.A.
Deposit date:2004-06-23
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of the nuclear effector of Notch signaling, CSL, bound to DNA
Embo J., 23, 2004
3BAG
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BU of 3bag by Molmil
Crystal structure of K112N/N114A mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1
Authors:Lee, J, Blaber, M.
Deposit date:2007-11-07
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
3EZG
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BU of 3ezg by Molmil
Crystal structure of E18Q DJ-1 with oxidized C106
Descriptor: Protein DJ-1
Authors:Lakshminarasimhan, M, Wilson, M.A.
Deposit date:2008-10-22
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.15 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
3BAU
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BU of 3bau by Molmil
Crystal structure of K12V/L26D/D28A mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Lee, J, Blaber, M.
Deposit date:2007-11-08
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
4NU1
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BU of 4nu1 by Molmil
Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-12-03
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
5I1Q
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BU of 5i1q by Molmil
Second bromodomain of TAF1 bound to a pyrrolopyridone compound
Descriptor: 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1
Authors:Tang, Y, Poy, F, Bellon, S.F.
Deposit date:2016-01-09
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
4NEJ
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BU of 4nej by Molmil
Small molecular fragment bound to crystal contact interface of Interleukin-2
Descriptor: 5-methylfuran-2-carboxylic acid, Interleukin-2
Authors:Brenke, R, Jehle, S, Vajda, S, Allen, K.N, Kozakov, D.
Deposit date:2013-10-29
Release date:2014-11-19
Method:X-RAY DIFFRACTION (1.919 Å)
Cite:Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
To be Published
4S04
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BU of 4s04 by Molmil
Crystal structure of Klebsiella pneumoniae PmrA in complex with PmrA box DNA
Descriptor: BERYLLIUM TRIFLUORIDE ION, DNA (25-MER), DNA-binding transcriptional regulator BasR, ...
Authors:Hsiao, C.D, Weng, T.H, Li, Y.C.
Deposit date:2014-12-30
Release date:2015-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA.
Nat Commun, 6, 2015
5I29
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BU of 5i29 by Molmil
TAF1(2) bound to a pyrrolopyridone compound
Descriptor: CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Tang, Y, Poy, F, Bellon, S.F.
Deposit date:2016-02-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
8GI5
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BU of 8gi5 by Molmil
Cryo-EM of self-assembling pyrene peptide with Ca2+
Descriptor: Pyrene peptide
Authors:Rich-New, S.T, Guo, J, Xu, B, Wang, F.
Deposit date:2023-03-13
Release date:2023-06-14
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Hierarchical Assembly of Intrinsically Disordered Short Peptides.
Chem, 9, 2023
4RUL
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BU of 4rul by Molmil
Crystal structure of full-length E.Coli topoisomerase I in complex with ssDNA
Descriptor: DNA topoisomerase 1, GLYCEROL, SULFATE ION, ...
Authors:Tan, K, Chen, B, Tse-Dinh, Y.C.
Deposit date:2014-11-20
Release date:2015-11-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for suppression of hypernegative DNA supercoiling by E. coli topoisomerase I.
Nucleic Acids Res., 43, 2015
3PKJ
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BU of 3pkj by Molmil
Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose
Descriptor: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2010-11-11
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
4U85
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BU of 4u85 by Molmil
Human Pin1 with cysteine sulfinic acid 113
Descriptor: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
5EYI
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BU of 5eyi by Molmil
Structure of PRRSV apo-NSP11 at 2.16A
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, Non-structural protein 11, ...
Authors:Zhang, M.F, Chen, Z.
Deposit date:2015-11-25
Release date:2016-10-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
4P5O
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BU of 4p5o by Molmil
Structure of an RBX1-UBC12~NEDD8-CUL1-DCN1 complex: a RING-E3-E2~ubiquitin-like protein-substrate intermediate trapped in action
Descriptor: Cullin-1, DCN1-like protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2014-03-18
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1071 Å)
Cite:Structure of a RING E3 Trapped in Action Reveals Ligation Mechanism for the Ubiquitin-like Protein NEDD8.
Cell, 157, 2014
5F17
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BU of 5f17 by Molmil
Structure of EAV NSP11 K170A mutant at 3.19A
Descriptor: Non-structural protein 11
Authors:Zhang, M.F, Chen, Z.Z.
Deposit date:2015-11-30
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of EAV NSP11 K170A mutant at 3.19A
To Be Published
2R5Y
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BU of 2r5y by Molmil
Structure of Scr/Exd complex bound to a consensus Hox-Exd site
Descriptor: DNA (5'-D(*DAP*DCP*DTP*DCP*DTP*DAP*DTP*DGP*DAP*DTP*DTP*DTP*DAP*DTP*DGP*DGP*DGP*DCP*DTP*DG)-3'), DNA (5'-D(*DTP*DCP*DAP*DGP*DCP*DCP*DCP*DAP*DTP*DAP*DAP*DAP*DTP*DCP*DAP*DTP*DAP*DGP*DAP*DG)-3'), Homeobox protein extradenticle, ...
Authors:Aggarwal, A.K, Passner, J.M, Jain, R.
Deposit date:2007-09-04
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional specificity of a Hox protein mediated by the recognition of minor groove structure
Cell(Cambridge,Mass.), 131, 2007
4U86
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BU of 4u86 by Molmil
Human Pin1 with cysteine sulfonic acid 113
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
4U5T
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BU of 4u5t by Molmil
Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid
Descriptor: (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper
Authors:Stagno, J.R, Ji, X.
Deposit date:2014-07-25
Release date:2014-08-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
3PKI
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BU of 3pki by Molmil
Human SIRT6 crystal structure in complex with ADP ribose
Descriptor: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2010-11-11
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
4U84
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BU of 4u84 by Molmil
Human Pin1 with S-hydroxyl-cysteine 113
Descriptor: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
8OK1
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BU of 8ok1 by Molmil
WD repeat containing protein 5 (WDR5)- N225A mutant
Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme,WD repeat-containing protein 5
Authors:Wolf, E, Boergel, A.
Deposit date:2023-03-26
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A structural competition involving WDR5 times circadian oscillations
To Be Published

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