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4PNR
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BU of 4pnr by Molmil
Crystal Structure of human Tankyrase 2 in complex with TIQ-A.
Descriptor: 4H-thieno[2,3-c]isoquinolin-5-one, ETHANOL, GLYCEROL, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-24
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
2JC2
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BU of 2jc2 by Molmil
The crystal structure of the natural F112L human sorcin mutant
Descriptor: SORCIN, SULFATE ION
Authors:Franceschini, S, Ilari, A, Colotti, G, Chiancone, E.
Deposit date:2006-12-19
Release date:2007-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis for the Impaired Function of the Natural F112L Sorcin Mutant: X-Ray Crystal Structure, Calcium Affinity, and Interaction with Annexin Vii and the Ryanodine Receptor.
Faseb J., 22, 2008
4JH0
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BU of 4jh0 by Molmil
Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide
Descriptor: 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4
Authors:Klei, H.E.
Deposit date:2013-03-04
Release date:2013-09-04
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
3C2G
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BU of 3c2g by Molmil
Crystal complex of SYS-1/POP-1 at 2.5A resolution
Descriptor: Pop-1 8-residue peptide, Sys-1 protein
Authors:Liu, J, Phillips, B.T, Amaya, M.F, Kimble, J, Xu, W.
Deposit date:2008-01-24
Release date:2008-05-20
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The C. elegans SYS-1 protein is a bona fide beta-catenin.
Dev.Cell, 14, 2008
4PNT
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BU of 4pnt by Molmil
Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD.
Descriptor: 5-hydroxyisoquinolin-1(4H)-one, Tankyrase-2, ZINC ION
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-25
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4PUG
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BU of 4pug by Molmil
BolA1 from Arabidopsis thaliana
Descriptor: BolA like protein
Authors:Roret, T, Didierjean, C.
Deposit date:2014-03-13
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural and Spectroscopic Insights into BolA-Glutaredoxin Complexes.
J.Biol.Chem., 289, 2014
3G1N
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BU of 3g1n by Molmil
Catalytic domain of the human E3 ubiquitin-protein ligase HUWE1
Descriptor: E3 ubiquitin-protein ligase HUWE1, SODIUM ION
Authors:Walker, J.R, Qiu, L, Li, Y, Davis, T, Tempel, W, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-01-30
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Hect Domain of Human HUWE1/MULE
To be Published
3GD3
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BU of 3gd3 by Molmil
Crystal structure of a naturally folded murine apoptosis inducing factor
Descriptor: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Sevrioukova, I.F.
Deposit date:2009-02-23
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Redox-linked conformational dynamics in apoptosis-inducing factor
J.Mol.Biol., 390, 2009
3C3K
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BU of 3c3k by Molmil
Crystal structure of an uncharacterized protein from Actinobacillus succinogenes
Descriptor: Alanine racemase, CHLORIDE ION, GLYCEROL
Authors:Malashkevich, V.N, Toro, R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-01-28
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of an uncharacterized protein from Actinobacillus succinogenes.
To be Published
4PXG
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BU of 4pxg by Molmil
Crystal Structure of TypeII restriction Enzyme Sau3AI
Descriptor: CALCIUM ION, Type-2 restriction enzyme Sau3AI
Authors:Xu, C.Y, Yu, F, Hu, X.J, He, J.H.
Deposit date:2014-03-24
Release date:2015-03-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The 2.45 A Crystal Structure of the Restriction Endonuclease Sau3AI Suggests a Self-Inhibition Mechanism
To be Published
3BRQ
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BU of 3brq by Molmil
Crystal structure of the Escherichia coli transcriptional repressor ascG
Descriptor: HTH-type transcriptional regulator ascG, SODIUM ION, SULFATE ION, ...
Authors:Singer, A.U, Kagan, O, Evdokimova, E, Osipiuk, J, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-12-21
Release date:2008-01-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the E. coli transcriptional repressor ascG.
To be Published
2JFA
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BU of 2jfa by Molmil
ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH AN AFFINITY-SELECTED COREPRESSOR PEPTIDE
Descriptor: COREPRESSOR PEPTIDE, ESTROGEN RECEPTOR, RALOXIFENE, ...
Authors:Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W.
Deposit date:2007-01-29
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors.
J.Biol.Chem., 282, 2007
4L51
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BU of 4l51 by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-10
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4LJX
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BU of 4ljx by Molmil
Crystal structure of an AT-rich interactive domain-containing protein 3A (ARID3A) from Homo sapiens at 2.21 A resolution
Descriptor: AT-rich interactive domain-containing protein 3A
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2013-07-05
Release date:2013-08-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of an AT-rich interactive domain-containing protein 3A (ARID3A) from Homo sapiens at 2.21 A resolution
To be published
2JJK
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BU of 2jjk by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE -1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH A DUAL BINDING AMP SITE INHIBITOR
Descriptor: FRUCTOSE-1,6-BISPHOSPHATASE 1, N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)
Authors:Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Hebeisen, P.
Deposit date:2008-04-09
Release date:2008-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric Fbpase Inhibitors Gain 10(5) Times in Potency When Simultaneously Binding Two Neighboring AMP Sites.
Bioorg.Med.Chem.Lett., 18, 2008
2KM4
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BU of 2km4 by Molmil
Solution structure of Rtt103 CTD interacting domain
Descriptor: Regulator of Ty1 transposition protein 103
Authors:Lunde, B.M, Reichow, S, Kim, M, Leeper, T.C, Becker, R, Buratowski, S, Meinhart, A, Varani, G.
Deposit date:2009-07-20
Release date:2010-09-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Cooperative interaction of transcription termination factors with the RNA polymerase II C-terminal domain.
Nat.Struct.Mol.Biol., 17, 2010
2KFT
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BU of 2kft by Molmil
NMR Solution structure of the first PHD finger domain of human Autoimmune Regulator (AIRE) in complex with Histone H3(1-20Cys) Peptide
Descriptor: Autoimmune regulator, Histone H3, ZINC ION
Authors:Chakravarty, S, Zeng, L, Zhou, M.
Deposit date:2009-02-27
Release date:2009-04-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and Site-Specific Recognition of Histone H3 by the PHD Finger of Human Autoimmune Regulator.
Structure, 17, 2009
2KDK
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BU of 2kdk by Molmil
Structure of human circadian clock protein BMAL2 C-terminal PAS domain
Descriptor: Aryl hydrocarbon receptor nuclear translocator-like protein 2
Authors:Wasielewski, E, Correia, C, Prendergast, F.G, Mer, G.
Deposit date:2009-01-10
Release date:2011-04-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of human circadian clock protein BMAL2 C-terminal PAS domain
To be Published
2KRR
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BU of 2krr by Molmil
Solution structure of the RBD1,2 domains from human nucleolin
Descriptor: Nucleolin
Authors:Arumugam, N, Miller, C, Maliekal, J, Bates, P.J, Trent, J.O, Lane, A.N.
Deposit date:2009-12-22
Release date:2010-05-05
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of the RBD1,2 domains from human nucleolin.
J.Biomol.Nmr, 47, 2010
3NUF
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BU of 3nuf by Molmil
Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PRD-containing transcription regulator, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-07-06
Release date:2010-09-08
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution
To be published
3C5V
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BU of 3c5v by Molmil
PP2A-specific methylesterase apo form (PME)
Descriptor: Protein phosphatase methylesterase 1
Authors:Xing, Y, Li, Z, Chen, Y, Stock, J, Jeffrey, P.D, Shi, Y.
Deposit date:2008-02-01
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural mechanism of demethylation and inactivation of protein phosphatase 2A.
Cell(Cambridge,Mass.), 133, 2008
3NOT
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BU of 3not by Molmil
Light-induced intermediate structure L2 of P. aeruginosa bacteriophytochrome
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome
Authors:Yang, X, Ren, Z, Moffat, K.
Deposit date:2010-06-25
Release date:2012-11-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Temperature-scan cryocrystallography reveals reaction intermediates in bacteriophytochrome.
Nature, 479, 2011
3C49
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BU of 3c49 by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948
Descriptor: 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one, Poly(ADP-ribose) polymerase 3
Authors:Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2008-01-29
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
3C4H
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BU of 3c4h by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor DR2313
Descriptor: 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Poly(ADP-ribose) polymerase 3
Authors:Lehtio, L, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2008-01-30
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
3TCO
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BU of 3tco by Molmil
Crystallographic and spectroscopic characterization of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability
Descriptor: 1,2-ETHANEDIOL, Thioredoxin (TrxA-1)
Authors:Esposito, L, Ruggiero, A, Masullo, M, Ruocco, M.R, Lamberti, A, Arcari, P, Zagari, A, Vitagliano, L.
Deposit date:2011-08-09
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability.
J.Struct.Biol., 177, 2012

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