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6K1A
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BU of 6k1a by Molmil
Crystal structure of EXD2 exonuclease domain soaked in Mn and Mg
Descriptor: Exonuclease 3'-5' domain-containing protein 2, MAGNESIUM ION, MANGANESE (II) ION
Authors:Park, J, Lee, C.
Deposit date:2019-05-10
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:The structure of human EXD2 reveals a chimeric 3' to 5' exonuclease domain that discriminates substrates via metal coordination.
Nucleic Acids Res., 47, 2019
2RK2
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BU of 2rk2 by Molmil
DHFR R-67 complexed with NADP
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Dihydrofolate reductase type 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Krahn, J.M, London, R.E.
Deposit date:2007-10-16
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a type II dihydrofolate reductase catalytic ternary complex.
Biochemistry, 46, 2007
4KTG
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BU of 4ktg by Molmil
Crystal structure of double-helical GGC-repetitive RNA 19mer complexed with RSS p19
Descriptor: 5'-R(P*GP*CP*GP*GP*CP*GP*GP*CP*GP*GP*CP*GP*GP*CP*GP*GP*CP*GP*C)-3', RNA silencing suppressor p19, SULFATE ION
Authors:Tamjar, J, Katorcha, E, Popov, A.N, Malinina, L.
Deposit date:2013-05-20
Release date:2014-05-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural insights into CNG-repetitive RNAs associated with human Trinucleotide Repeat Expansion Diseases (TREDs)
To be published
6JTP
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BU of 6jtp by Molmil
Crystal structure of HLA-C08 in complex with a tumor mut9m peptide
Descriptor: 9-mer peptide, Beta-2-microglobulin, HLA class I antigen, ...
Authors:Bai, P, Zhou, Q, Wei, P, Lei, Y.
Deposit date:2019-04-11
Release date:2020-04-15
Last modified:2021-02-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
7AM0
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BU of 7am0 by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
2RMJ
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BU of 2rmj by Molmil
Solution structure of RIG-I C-terminal domain
Descriptor: Probable ATP-dependent RNA helicase DDX58
Authors:Takahasi, K, Yoneyama, M, Nihishori, T, Hirai, R, Narita, R, Gale Jr, M, Fujita, T, Inagaki, F.
Deposit date:2007-10-23
Release date:2008-03-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Nonself RNA-Sensing Mechanism of RIG-I Helicase and Activation of Antiviral Immune Responses
Mol.Cell, 29, 2008
4W1X
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BU of 4w1x by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone
Descriptor: 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
4K2J
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BU of 4k2j by Molmil
Decameric ring structure of KSHV (HHV-8) latency-associated nuclear antigen (LANA) DNA binding domain
Descriptor: CHLORIDE ION, FORMIC ACID, KSHV (HHV-8) latency-associated nuclear antigen (LANA)
Authors:Domsic, J.F, Marmorstein, R.
Deposit date:2013-04-09
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Basis for Oligomeric-DNA Binding and Episome Maintenance by KSHV LANA.
Plos Pathog., 9, 2013
5IFT
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BU of 5ift by Molmil
STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 3-b-Galactopyranosyl glucose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J.
Deposit date:2016-02-26
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
4K3R
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BU of 4k3r by Molmil
E. coli sliding clamp in complex with AcQLDLA
Descriptor: (ACE)QLDLA, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-04-11
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4W5I
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BU of 4w5i by Molmil
Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one
Descriptor: 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2014-08-18
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Bioorg.Med.Chem., 23, 2015
4K7S
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BU of 4k7s by Molmil
Crystal structure of Zn2-hUb (human ubiquitin) adduct from a solution 35 mM zinc acetate/1.3 mM hUb
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ...
Authors:Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G.
Deposit date:2013-04-17
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
6K73
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BU of 6k73 by Molmil
Chaperone-tip adhesin complex is vital for synergistic activation of CFA/I fimbriae biogenesis
Descriptor: CFA/I fimbrial subunit E, Colonization factor antigen I chaperone CfaA, GLYCEROL, ...
Authors:Bao, R, He, L.H.
Deposit date:2019-06-05
Release date:2020-06-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7742 Å)
Cite:Chaperone-tip adhesin complex is vital for synergistic activation of CFA/I fimbriae biogenesis.
Plos Pathog., 16, 2020
2RUU
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BU of 2ruu by Molmil
Solution structures of the DNA-binding domain (ZF3) of immune-related zinc-finger protein ZFAT
Descriptor: ZINC ION, Zinc finger protein ZFAT
Authors:Tochio, N, Umehara, T, Kigawa, T, Yokoyama, S.
Deposit date:2015-01-26
Release date:2015-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
J.Struct.Funct.Genom., 16, 2015
2RUZ
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BU of 2ruz by Molmil
Solution structures of the DNA-binding domain (ZF11) of immune-related zinc-finger protein ZFAT
Descriptor: ZINC ION, Zinc finger protein ZFAT
Authors:Tochio, N, Umehara, T, Kigawa, T, Yokoyama, S.
Deposit date:2015-01-26
Release date:2015-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
J.Struct.Funct.Genom., 16, 2015
6JYY
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BU of 6jyy by Molmil
Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia
Descriptor: Hydroxyethylthiazole kinase
Authors:Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-04-29
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 518, 2019
4K6L
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BU of 4k6l by Molmil
Structure of Typhoid Toxin
Descriptor: Cytolethal distending toxin subunit B homolog, GLYCEROL, Putative pertussis-like toxin subunit
Authors:Gao, X, Song, J, Galan, J.
Deposit date:2013-04-16
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Structure and function of the Salmonella Typhi chimaeric A(2)B(5) typhoid toxin.
Nature, 499, 2013
7AYE
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BU of 7aye by Molmil
Crystal structure of the computationally designed chemically disruptable heterodimer LD6-MDM2
Descriptor: Isoform 11 of E3 ubiquitin-protein ligase Mdm2, Thiol:disulfide interchange protein DsbD
Authors:Yang, C, Lau, K, Pojer, F, Correia, B.E.
Deposit date:2020-11-12
Release date:2021-08-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A rational blueprint for the design of chemically-controlled protein switches.
Nat Commun, 12, 2021
4K96
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BU of 4k96 by Molmil
Structure of Binary Complex of cGAS with Bound dsDNA
Descriptor: Cyclic GMP-AMP synthase, DNA-F, DNA-R, ...
Authors:Gao, P, Wu, Y, Patel, D.J.
Deposit date:2013-04-19
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
4KAY
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BU of 4kay by Molmil
Structure of the soluble domain of Lipooligosaccharide phosphoethanolamine transferase A from Neisseria meningitidis - complex with Zn
Descriptor: PHOSPHATE ION, YhbX/YhjW/YijP/YjdB family protein, ZINC ION
Authors:Vrielink, A, Wanty, C, Anandan, A.
Deposit date:2013-04-23
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:The Structure of the Neisserial Lipooligosaccharide Phosphoethanolamine Transferase A (LptA) Required for Resistance to Polymyxin.
J.Mol.Biol., 425, 2013
4K75
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BU of 4k75 by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-QDTRL (ANSRWQDTRL)
Descriptor: Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36-QDTRL peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-04-16
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Stereochemical Preferences Modulate Affinity and Selectivity among Five PDZ Domains that Bind CFTR: Comparative Structural and Sequence Analyses.
Structure, 22, 2014
6K2U
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BU of 6k2u by Molmil
Crystal structure of Thr66 ADP-ribosylated ubiquitin
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ...
Authors:Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination.
Mol.Cell, 78, 2020
4K7T
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BU of 4k7t by Molmil
Structure of the ternary complex of bacitracin, zinc, and geranyl-pyrophosphate
Descriptor: GERANYL DIPHOSPHATE, SODIUM ION, ZINC ION, ...
Authors:Economou, N.J, Loll, P.J.
Deposit date:2013-04-17
Release date:2013-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-resolution crystal structure reveals molecular details of target recognition by bacitracin.
Proc.Natl.Acad.Sci.USA, 110, 2013
7AP7
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BU of 7ap7 by Molmil
Structure of the W64R amyloidogenic variant of human lysozyme
Descriptor: Lysozyme C, SULFATE ION
Authors:Vettore, N, Herman, R, Kerff, F, Charlier, P, Sauvage, E, Brans, A, Morray, J, Dobson, C, Kumita, J, Dumoulin, M.
Deposit date:2020-10-16
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Characterisation of the structural, dynamic and aggregation properties of the W64R amyloidogenic variant of human lysozyme.
Biophys.Chem., 271, 2021
4KCN
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BU of 4kcn by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-(((3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014

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