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3M2W
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BU of 3m2w by Molmil
Crystal structure of MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-tetracyclic ATP site inhibitor
Descriptor: 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2
Authors:Kroemer, M, Revesz, L, Be, C, Izaac, A, Huppertz, C, Schlapbach, A, Scheufler, C.
Deposit date:2010-03-08
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II.
Bioorg.Med.Chem.Lett., 20, 2010
3MJF
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BU of 3mjf by Molmil
Phosphoribosylamine-glycine ligase from Yersinia pestis
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-04-12
Release date:2010-05-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:X-ray crystal structure of phosphoribosylamine-glycine ligase from Yersinia pestis.
To be Published
3MNM
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BU of 3mnm by Molmil
Crystal structure of GAE domain of GGA2p from Saccharomyces cerevisiae
Descriptor: ADP-ribosylation factor-binding protein GGA2, GLYCEROL, SULFATE ION
Authors:Fang, P, Wang, J, Li, X, Niu, L, Teng, M.
Deposit date:2010-04-21
Release date:2010-09-08
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural basis for the specificity of the GAE domain of yGGA2 for its accessory proteins Ent3 and Ent5
Biochemistry, 49, 2010
5HJ0
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BU of 5hj0 by Molmil
Crystal Structure of Mis18 'Yippee-like' Domain
Descriptor: Kinetochore protein mis18, ZINC ION
Authors:Medina-Pritchard, B, Subramanian, L, Allshire, R, Arockia Jeyaprakash, A.
Deposit date:2016-01-12
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Centromere localization and function of Mis18 requires Yippee-like domain-mediated oligomerization.
Embo Rep., 17, 2016
5HM3
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BU of 5hm3 by Molmil
2.25 Angstrom Resolution Crystal Structure of Long-chain-fatty-acid-AMP Ligase FadD32 from Mycobacterium tuberculosis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine
Descriptor: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Warwrzak, Z, Kuhn, M.L, Shuvalova, L, Flores, K.J, Wilson, D.J, Grimes, K.D, Aldrich, C.C, Anderson, W.A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-15
Release date:2016-08-03
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of the Essential Mtb FadD32 Enzyme: A Promising Drug Target for Treating Tuberculosis.
Acs Infect Dis., 2, 2016
5HLK
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BU of 5hlk by Molmil
Crystal structure of the ternary EcoRV-DNA-Lu complex with cleaved DNA substrate.
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP)-3'), DNA (5'-D(*AP*TP*CP*TP*TP*TP)-3'), ...
Authors:Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L.
Deposit date:2016-01-15
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex.
Biochemistry, 55, 2016
5HOT
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BU of 5hot by Molmil
Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase
Descriptor: (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase
Authors:Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D.
Deposit date:2016-01-19
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
5HXW
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BU of 5hxw by Molmil
L-amino acid deaminase from Proteus vulgaris
Descriptor: CETYL-TRIMETHYL-AMMONIUM, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
Authors:Zhou, H, Ju, Y, Niu, L, Teng, M.
Deposit date:2016-01-31
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
5HZY
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BU of 5hzy by Molmil
Crystal structure of the legionella pneumophila effector protein RavZ - P6322
Descriptor: Uncharacterized protein RavZ
Authors:Kwon, D.H, Kim, L, Kim, B.-W, Hong, S.B, Song, H.K.
Deposit date:2016-02-03
Release date:2016-11-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:The 1:2 complex between RavZ and LC3 reveals a mechanism for deconjugation of LC3 on the phagophore membrane
Autophagy, 13, 2017
5HVN
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BU of 5hvn by Molmil
3.0 Angstrom Crystal Structure of 3-dehydroquinate Synthase (AroB) from Francisella tularensis in Complex with NAD.
Descriptor: 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Zhou, M, Grimshaw, S, Kwon, K, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-28
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:3.0 Angstrom Crystal Structure of 3-dehydroquinate Synthase (AroB) from Francisella tularensis in Complex with NAD.
To Be Published
5HSF
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BU of 5hsf by Molmil
1.52 Angstrom Crystal Structure of Fc fragment of Human IgG1.
Descriptor: Ig gamma-1 chain C region, TRIETHYLENE GLYCOL
Authors:Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Flores, K, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-25
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:1.52 Angstrom Crystal Structure of Fc fragment of Human IgG1.
To Be Published
5HPE
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BU of 5hpe by Molmil
Phosphatase domain of PP5 bound to a phosphomimetic Cdc37 substrate peptide
Descriptor: COBALT HEXAMMINE(III), MANGANESE (II) ION, Serine/threonine-protein phosphatase 5,Hsp90 co-chaperone Cdc37
Authors:Oberoi, J, Mariotti, L, Vaughan, C.
Deposit date:2016-01-20
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and functional basis of protein phosphatase 5 substrate specificity.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HRJ
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BU of 5hrj by Molmil
Crystal structure of the scavenger receptor cysteine-rich domain 5 (SRCR5) from porcine CD163
Descriptor: Scavenger receptor cysteine-rich type 1 protein M130
Authors:Ma, H, Jiang, L, Qiao, S, Zhang, G, Li, R.
Deposit date:2016-01-23
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the scavenger receptor cysteine-rich domain 5 (SRCR5) from porcine CD163
To Be Published
5HVW
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BU of 5hvw by Molmil
Monomeric IgG4 Fc
Descriptor: GLYCEROL, Ig gamma-4 chain C region, ZINC ION, ...
Authors:Oganesyan, V.Y, Shan, L, Dall'Acqua, W.F.
Deposit date:2016-01-28
Release date:2016-08-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Generation and Characterization of an IgG4 Monomeric Fc Platform.
Plos One, 11, 2016
5I2H
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BU of 5i2h by Molmil
Crystal structure of O-methyltransferase family 2 protein Plim_1147 from Planctomyces limnophilus DSM 3776 complex with Apigenin
Descriptor: 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, FORMIC ACID, ...
Authors:Chang, C, Duke, N, Bigelow, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-02-08
Release date:2016-03-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of O-methyltransferase family 2 protein Plim_1147 from Planctomyces limnophilus DSM 3776 complex with Apigenin.
To Be Published
5I39
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BU of 5i39 by Molmil
High resolution structure of L-amino acid deaminase from Proteus vulgaris with the deletion of the specific insertion sequence
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
Authors:Zhou, H, Ju, Y, Niu, L, Teng, M.
Deposit date:2016-02-10
Release date:2016-08-03
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
5I2U
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BU of 5i2u by Molmil
Crystal structure of a novel Halo-Tolerant Cellulase from Soil Metagenome
Descriptor: Cellulase, GLYCEROL, MAGNESIUM ION, ...
Authors:Garg, R, Brahma, V, Srivastava, R, Verma, L, Karthikeyan, S, Sahni, G.
Deposit date:2016-02-09
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical and structural characterization of a novel halotolerant cellulase from soil metagenome
Sci Rep, 6, 2016
5I45
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BU of 5i45 by Molmil
1.35 Angstrom Crystal Structure of C-terminal Domain of Glycosyl Transferase Group 1 Family Protein (LpcC) from Francisella tularensis.
Descriptor: Glycosyl transferases group 1 family protein
Authors:Minasov, G, Filippova, E, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-02-11
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:1.35 Angstrom Crystal Structure of C-terminal Domain of Glycosyl Transferase Group 1 Family Protein (LpcC) from Francisella tularensis.
To Be Published
5I23
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BU of 5i23 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF022
Descriptor: 1,2-ETHANEDIOL, 1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium, Oligosaccharide 4-alpha-D-glucosyltransferase, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2016-02-08
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
5IS8
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BU of 5is8 by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor SA0271
Descriptor: 1,2-ETHANEDIOL, 5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, ...
Authors:Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
Deposit date:2016-03-15
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.709 Å)
Cite:Crystal structure of mouse CARM1 in complex with inhibitor SA0271
To Be Published
5IHE
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BU of 5ihe by Molmil
D-family DNA polymerase - DP1 subunit (3'-5' proof-reading exonuclease)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ACETATE ION, ...
Authors:Sauguet, L, Raia, P, De Larue, M.
Deposit date:2016-02-29
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Nat Commun, 7, 2016
5ILO
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BU of 5ilo by Molmil
Crystal structure of photoreceptor dehydrogenase from Drosophila melanogaster
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Photoreceptor dehydrogenase, isoform C
Authors:Hofmann, L, Tsybovsky, Y, Banerjee, S.
Deposit date:2016-03-04
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural Insights into the Drosophila melanogaster Retinol Dehydrogenase, a Member of the Short-Chain Dehydrogenase/Reductase Family.
Biochemistry, 55, 2016
5IOM
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BU of 5iom by Molmil
Crystal Structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni is space group P6322
Descriptor: Nucleoside diphosphate kinase
Authors:Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2016-03-08
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
5IBX
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BU of 5ibx by Molmil
1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-02-22
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae
To Be Published
5IHH
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BU of 5ihh by Molmil
Crystal structure of human transthyretin in complex with luteolin-MeO at 1.35 A resolution
Descriptor: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-chromen-4-one, SODIUM ION, Transthyretin
Authors:Begum, A, Nilsson, L, Olofsson, A, Sauer-Eriksson, A.E.
Deposit date:2016-02-29
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights into Its Binding Properties and High Plasma Specificity.
Plos One, 11, 2016

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