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5IVX
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BU of 5ivx by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Natarajan, K, Jiang, J, Margulies, D.
Deposit date:2016-03-21
Release date:2017-03-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
5IZJ
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BU of 5izj by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411
Descriptor: 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAR-DAR, 47P-AZ1-DAR-DAR-DAR, ...
Authors:Pflug, A, Enkvist, E, Uri, A, Engh, R.A.
Deposit date:2016-03-25
Release date:2016-07-20
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
5J5Q
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BU of 5j5q by Molmil
AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type II
Descriptor: DNA (5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3'), DNA topoisomerase 4 subunit B, MAGNESIUM ION, ...
Authors:Laponogov, I, Pan, X.-S, Skamrova, G, Umrekar, T, Fisher, L.M, Sanderson, M.R.
Deposit date:2016-04-03
Release date:2017-07-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase.
Nat Commun, 9, 2018
5J67
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Structure of Astrotactin-2, a conserved vertebrate-specific and perforin-like membrane protein involved in neuronal development
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Astrotactin-2, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
Authors:Ni, T, Harlos, K, Gilbert, R.J.C.
Deposit date:2016-04-04
Release date:2016-05-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structure of astrotactin-2: a conserved vertebrate-specific and perforin-like membrane protein involved in neuronal development.
Open Biology, 6, 2016
5IUD
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BU of 5iud by Molmil
Human DNA polymerase alpha in binary complex with a DNA:DNA template-primer
Descriptor: DNA polymerase alpha catalytic subunit, DNA primer, DNA template
Authors:Coloma, J, Aggarwal, A.K.
Deposit date:2016-03-17
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Human DNA polymerase alpha in binary complex with a DNA:DNA template-primer.
Sci Rep, 6, 2016
5IVV
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BU of 5ivv by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N12 [3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid]
Descriptor: 3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5J93
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BU of 5j93 by Molmil
Five minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
Deposit date:2016-04-08
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5J9M
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BU of 5j9m by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-(methylamino)-1H-benzo[d]imidazole-5-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-(methylamino)-1H-benzimidazole-5-carboxamide, CHLORIDE ION, ...
Authors:Ehrmann, F.R, Heine, A, Klebe, G.
Deposit date:2016-04-10
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines.
To be Published
5J05
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BU of 5j05 by Molmil
DIY G-Quadruplexes: Solution structure of d(GGGTTTGGGTTTTGGGAGGG) in sodium
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*TP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*AP*GP*GP*G)-3')
Authors:Dvorkin, S.A, Karsisiotis, A.I, Webba da Silva, M.
Deposit date:2016-03-27
Release date:2017-04-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Encoding canonical DNA quadruplex structure.
Sci Adv, 4, 2018
5J6D
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BU of 5j6d by Molmil
Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine, FE (III) ION, ...
Authors:Stein, A.J, Goldberg, D.R, De Lombaert, S.
Deposit date:2016-04-04
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of acyl guanidine tryptophan hydroxylase-1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5J70
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BU of 5j70 by Molmil
The Chd1 DNA-binding domain in complex with 17mer DNA duplex
Descriptor: Chromo domain-containing protein 1, DNA (5'-D(*CP*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*CP*G)-3')
Authors:Bowman, G.D, Jenkins, K.R, Hauk, G.
Deposit date:2016-04-05
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:Chd1 domains communicate across the DNA gyres of the nucleosome
To Be Published
5JCO
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BU of 5jco by Molmil
Structure and dynamics of single-isoform recombinant neuronal human tubulin
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Vemu, A, Atherton, J, Spector, J.O, Szyk, A, Moores, C.A, Roll-Mecak, A.
Deposit date:2016-04-15
Release date:2016-05-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure and Dynamics of Single-isoform Recombinant Neuronal Human Tubulin.
J.Biol.Chem., 291, 2016
5J5Y
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BU of 5j5y by Molmil
Translation initiation factor 4E in complex with m2(7,2'O)GppCCl2ppG mRNA 5' cap analog
Descriptor: 2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate, Eukaryotic translation initiation factor 4E, GLYCEROL
Authors:Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2016-04-04
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Nucleic Acids Res., 45, 2017
5J72
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BU of 5j72 by Molmil
Cwp6 from Clostridium difficile
Descriptor: CALCIUM ION, CHLORIDE ION, CITRIC ACID, ...
Authors:Renko, M, Usenik, A, Turk, D.
Deposit date:2016-04-05
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6.
Structure, 25, 2017
5IV3
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BU of 5iv3 by Molmil
Crystal structure of human soluble adenylyl cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate and the allosteric inhibitor LRE1
Descriptor: 1,2-ETHANEDIOL, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2016-03-18
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase.
Nat.Chem.Biol., 12, 2016
5IWU
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BU of 5iwu by Molmil
Macrolide 2'-phosphotransferase type II complexed with erythromycin
Descriptor: ACETATE ION, CALCIUM ION, ERYTHROMYCIN A, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-03-22
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IZN
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BU of 5izn by Molmil
The crystal structure of 50S ribosomal protein L25 from Vibrio vulnificus CMCP6
Descriptor: 50S ribosomal protein L25, PHOSPHATE ION
Authors:Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-03-25
Release date:2016-04-06
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of 50S ribosomal protein L25 from Vibrio vulnificus CMCP6
To Be Published
5J2S
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BU of 5j2s by Molmil
NKR-P1B from Rattus norvegicus
Descriptor: Killer cell lectin-like receptor subfamily B member 1B allele A, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Skalova, T, Vanek, O, Blaha, J, Duskova, J, Hasek, J, Koval, T, Dohnalek, J.
Deposit date:2016-03-30
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of NKR-P1B from Rattus norvegicus
To Be Published
5JFT
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BU of 5jft by Molmil
Zebra Fish Caspase-3
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ...
Authors:Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C.
Deposit date:2016-04-19
Release date:2016-10-26
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish.
Protein Sci., 25, 2016
5JDW
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BU of 5jdw by Molmil
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH GLYCINE
Descriptor: GLYCINE, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
Authors:Fritsche, E, Humm, A, Huber, R.
Deposit date:1998-10-07
Release date:1999-02-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999
5JFK
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BU of 5jfk by Molmil
Crystal structure of a TDR receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat receptor-like protein kinase TDR
Authors:Li, Z, Xu, G.
Deposit date:2016-04-19
Release date:2017-03-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.647 Å)
Cite:Crystal structure of a TDR receptor
To Be Published
5J5O
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BU of 5j5o by Molmil
Translation initiation factor 4E in complex with m7GppppG mRNA 5' cap analog
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine, Eukaryotic translation initiation factor 4E, GLYCEROL
Authors:Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2016-04-03
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.867 Å)
Cite:mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Nucleic Acids Res., 45, 2017
5JIR
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BU of 5jir by Molmil
Crystal structure of Treponema pallidum protein Tp0624
Descriptor: CHLORIDE ION, GLYCEROL, OOP family OmpA-OmpF porin
Authors:Parker, M.L, Boulanger, M.J.
Deposit date:2016-04-22
Release date:2016-11-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Treponema pallidum Tp0624 Reveals a Modular Assembly of Divergently Functionalized and Previously Uncharacterized Domains.
Plos One, 11, 2016
5JM8
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BU of 5jm8 by Molmil
The structure of ATP-bound aerobactin synthetase IucA from a hypervirulent pathotype of Klebsiella pneumoniae
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aerobactin synthase IucA, MAGNESIUM ION
Authors:Bailey, D.C, Drake, E.J, Gulick, A.M.
Deposit date:2016-04-28
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Characterization of Aerobactin Synthetase IucA from a Hypervirulent Pathotype of Klebsiella pneumoniae.
Biochemistry, 55, 2016
5J6Z
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BU of 5j6z by Molmil
Structure of anastellin bound to beta-strands A and B from the third type III domain of fibronectin
Descriptor: Anastellin, Fibronectin
Authors:Stine, J.M, Briknarova, K.
Deposit date:2016-04-05
Release date:2017-04-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Interaction between the Third Type III Domain from Fibronectin and Anastellin Involves beta-Strand Exchange.
Biochemistry, 56, 2017

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