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4GA8
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BU of 4ga8 by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and sorbinil
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SORBINIL
Authors:Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
Deposit date:2012-07-25
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:

4GA9
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BU of 4ga9 by Molmil
Crystal Structure of Rat Galectin-1 in Complex with Lactose
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Segev, O, Hirsch, J.A.
Deposit date:2012-07-25
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Gal-1 structure analysis
to be published
4GAA
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BU of 4gaa by Molmil
Structure of Leukotriene A4 hydrolase from Xenopus laevis complexed with inhibitor bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, MGC78867 protein, ZINC ION
Authors:Stsiapanava, A, Kumar, R.B, Haeggstrom, J.Z, Rinaldo-Matthis, A.
Deposit date:2012-07-25
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Product formation controlled by substrate dynamics in leukotriene A4 hydrolase.
Biochim.Biophys.Acta, 1844, 2014
4GAB
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BU of 4gab by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ...
Authors:Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
Deposit date:2012-07-25
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5971 Å)
Cite:X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity.
Chem.Biol.Interact, 202, 2013
4GAC
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BU of 4gac by Molmil
High resolution structure of mouse aldehyde reductase (AKR1a4) in its apo-form
Descriptor: 1,2-ETHANEDIOL, Alcohol dehydrogenase [NADP(+)], CITRATE ANION
Authors:Faucher, F, Jia, Z.
Deposit date:2012-07-25
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:High-resolution structure of AKR1a4 in the apo form and its interaction with ligands.
Acta Crystallogr.,Sect.F, 68, 2012
4GAD
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BU of 4gad by Molmil
Crystal Structure of D230A/H234A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium
Descriptor: 5'/3'-nucleotidase SurE, GLYCEROL, MAGNESIUM ION
Authors:Mathiharan, Y.K, Murthy, M.R.N.
Deposit date:2012-07-25
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Dramatic Structural Changes Resulting from the Loss of a Crucial Hydrogen Bond in the Hinge Region Involved in C-Terminal Helix Swapping in SurE: A Survival Protein from Salmonella typhimurium.
Plos One, 8, 2013
4GAE
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BU of 4gae by Molmil
Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ...
Authors:Diao, J, Xue, J, Cai, G, Deng, L, Song, Y.
Deposit date:2012-07-25
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.
ACS Med Chem Lett, 4, 2013
4GAF
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BU of 4gaf by Molmil
Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra, bound to human Interleukin-1 receptor type 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EBI-005, Interleukin-1 receptor type 1, ...
Authors:Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M.
Deposit date:2012-07-25
Release date:2013-02-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GAG
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BU of 4gag by Molmil
Structure of the broadly neutralizing antibody AP33 in complex with its HCV epitope (E2 residues 412-423)
Descriptor: GLYCEROL, Genome polyprotein, NEUTRALIZING ANTIBODY AP33 HEAVY CHAIN, ...
Authors:Potter, J.A, Owsianka, A, Angus, A.G.N, Jeffery, N, Matthews, D, Keck, Z, Lau, P, Foung, S.K.H, Taylor, G.L, Patel, A.H.
Deposit date:2012-07-25
Release date:2012-10-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toward a Hepatitis C Virus Vaccine: the Structural Basis of Hepatitis C Virus Neutralization by AP33, a Broadly Neutralizing Antibody.
J.Virol., 86, 2012
4GAH
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BU of 4gah by Molmil
Human acyl-CoA thioesterases 4 in complex with undecan-2-one-CoA inhibitor
Descriptor: Thioesterase superfamily member 4, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2R)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate
Authors:Lim, K, Pathak, M.C, Herzberg, O.
Deposit date:2012-07-25
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Correlation of structure and function in the human hotdog-fold enzyme hTHEM4.
Biochemistry, 51, 2012
4GAI
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BU of 4gai by Molmil
Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra
Descriptor: EBI-005
Authors:Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M.
Deposit date:2012-07-25
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GAJ
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BU of 4gaj by Molmil
Structure of the broadly neutralizing antibody AP33 in complex with its HCV epitope (E2 residues 411-424)
Descriptor: Genome polyprotein, NEUTRALIZING ANTIBODY AP33 HEAVY CHAIN, NEUTRALIZING ANTIBODY AP33 LIGHT CHAIN
Authors:Potter, J.A, Owsianka, A, Taylor, G.L, Patel, A.H.
Deposit date:2012-07-25
Release date:2012-10-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Toward a Hepatitis C Virus Vaccine: the Structural Basis of Hepatitis C Virus Neutralization by AP33, a Broadly Neutralizing Antibody.
J.Virol., 86, 2012
4GAK
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BU of 4gak by Molmil
Crystal structure of acyl-ACP thioesterase from Spirosoma linguale
Descriptor: Acyl-ACP thioesterase, CHLORIDE ION, GLYCEROL
Authors:Chang, C, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-07-25
Release date:2012-09-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of acyl-ACP thioesterase from Spirosoma linguale
To be Published
4GAL
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BU of 4gal by Molmil
CRYSTAL STRUCTURE OF HUMAN GALECTIN-7 IN COMPLEX WITH LACTOSE
Descriptor: GALECTIN-7, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Leonidas, D.D, Acharya, K.R.
Deposit date:1998-07-13
Release date:1998-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for the recognition of carbohydrates by human galectin-7.
Biochemistry, 37, 1998
4GAM
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BU of 4gam by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit
Descriptor: FE (III) ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ...
Authors:Lee, S.J, Lippard, S.J, Cho, U.-S.
Deposit date:2012-07-25
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Control of substrate access to the active site in methane monooxygenase.
Nature, 494, 2013
4GAO
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BU of 4gao by Molmil
DCNL complex with N-terminally acetylated NEDD8 E2 peptide
Descriptor: BROMIDE ION, DCN1-like protein 2, NEDD8-conjugating enzyme Ubc12
Authors:Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A.
Deposit date:2012-07-25
Release date:2012-11-28
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes.
Structure, 21, 2013
4GAP
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BU of 4gap by Molmil
Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with NAD+
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase
Authors:Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J.
Deposit date:2012-07-25
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GAT
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BU of 4gat by Molmil
SOLUTION NMR STRUCTURE OF THE WILD TYPE DNA BINDING DOMAIN OF AREA COMPLEXED TO A 13BP DNA CONTAINING A CGATA SITE, REGULARIZED MEAN STRUCTURE
Descriptor: DNA (5'-D(*CP*AP*GP*CP*GP*AP*TP*AP*GP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*CP*TP*AP*TP*CP*GP*CP*TP*G)-3'), NITROGEN REGULATORY PROTEIN AREA, ...
Authors:Clore, G.M, Starich, M, Wikstrom, M, Gronenborn, A.M.
Deposit date:1997-11-07
Release date:1998-01-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of a fungal AREA protein-DNA complex: an alternative binding mode for the basic carboxyl tail of GATA factors.
J.Mol.Biol., 277, 1998
4GAV
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BU of 4gav by Molmil
Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with quinone
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase, UBIQUINONE-2
Authors:Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J.
Deposit date:2012-07-25
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GAW
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BU of 4gaw by Molmil
Crystal structure of active human granzyme H
Descriptor: CHLORIDE ION, Granzyme H, SULFATE ION
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4GAX
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BU of 4gax by Molmil
Crystal Structure of an alpha-Bisabolol synthase mutant
Descriptor: Amorpha-4,11-diene synthase
Authors:Li, J, Peng, Z.
Deposit date:2012-07-26
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9948 Å)
Cite:Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency.
Biochem.J., 451, 2013
4GAY
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BU of 4gay by Molmil
Structure of the broadly neutralizing antibody AP33
Descriptor: NEUTRALIZING ANTIBODY AP33 HEAVY CHAIN, NEUTRALIZING ANTIBODY AP33 LIGHT CHAIN, TRIETHYLENE GLYCOL
Authors:Potter, J.A, Owsianka, A, Jeffery, N, Matthews, D, Keck, Z, Lau, P, Foung, S.K.H, Taylor, G.L, Patel, A.H.
Deposit date:2012-07-26
Release date:2012-10-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Toward a Hepatitis C Virus Vaccine: the Structural Basis of Hepatitis C Virus Neutralization by AP33, a Broadly Neutralizing Antibody.
J.Virol., 86, 2012
4GAZ
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BU of 4gaz by Molmil
Crystal Structure of a Jumonji Domain-containing Protein JMJD5
Descriptor: Lysine-specific demethylase 8, N-OXALYLGLYCINE, NICKEL (II) ION
Authors:Wang, H, Zhou, X, Zhang, X, Tao, Y, Chen, N, Zang, J.
Deposit date:2012-07-26
Release date:2013-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal Structure of a Jumonji Domain-containing Protein JMJD5
To be Published
4GB0
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BU of 4gb0 by Molmil
Crystal Structure of the RING domain of RNF168
Descriptor: E3 ubiquitin-protein ligase RNF168, MALONATE ION, ZINC ION
Authors:Zhang, X.Q, Wang, C.L, Zang, J.Y.
Deposit date:2012-07-26
Release date:2013-07-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for role of ring finger protein RNF168 RING domain
Cell Cycle, 12, 2013
4GB1
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BU of 4gb1 by Molmil
Synthesis and Evaluation of Novel 3-C-alkylated-Neu5Ac2en Derivatives as Probes of Influenza Virus Sialidase 150-loop flexibility
Descriptor: 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Rudrawar, S, Rameix-Welti, M.-A, Maggioni, A, Dyason, J.C, Rose, F.J, van der Werf, S, Thomson, R.J, Naffakh, N, Russell, R.J.M, von Itzstein, M.
Deposit date:2012-07-26
Release date:2012-09-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Synthesis and evaluation of novel 3-C-alkylated-Neu5Ac2en derivatives as probes of influenza virus sialidase 150-loop flexibility.
Org.Biomol.Chem., 10, 2012

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