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6EMH
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BU of 6emh by Molmil
Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ...
Authors:Macedo, J.T, Stehle, T, Blaum, B.S.
Deposit date:2017-10-02
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
6F30
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BU of 6f30 by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with UDPGlcNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
3Q52
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BU of 3q52 by Molmil
Structure of phosphorylated PAK1 kinase domain
Descriptor: Serine/threonine-protein kinase PAK 1
Authors:Wang, J, Wu, J.-W, Wang, Z.-X.
Deposit date:2010-12-26
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural insights into the autoactivation mechanism of p21-activated protein kinase
Structure, 19, 2011
6EX0
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BU of 6ex0 by Molmil
Crystal structure of RelP (SAS2) from Staphylococcus aureus bound to pppGpp in the post-catalytic state
Descriptor: FE (II) ION, GTP pyrophosphokinase, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
Authors:Manav, M.C, Brodersen, D.E.
Deposit date:2017-11-07
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural basis for (p)ppGpp synthesis by theStaphylococcus aureussmall alarmone synthetase RelP.
J. Biol. Chem., 293, 2018
3Q12
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BU of 3q12 by Molmil
Pantoate-beta-alanine ligase from Yersinia pestis in complex with pantoate.
Descriptor: CHLORIDE ION, PANTOATE, Pantoate--beta-alanine ligase
Authors:Osipiuk, J, Maltseva, N, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-12-16
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Pantoate-beta-alanine ligase from Yersinia pestis.
To be Published
3Q53
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BU of 3q53 by Molmil
Structure of phosphorylated PAK1 kinase domain in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
Authors:Wang, J, Wu, J.-W, Wang, Z.-X.
Deposit date:2010-12-26
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural insights into the autoactivation mechanism of p21-activated protein kinase
Structure, 19, 2011
8WEX
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BU of 8wex by Molmil
Crystal structure of N-acetyl sugar amidotransferase from Legionella pneumophila
Descriptor: N-acetyl sugar amidotransferase, ZINC ION
Authors:Gao, J, Xu, W, Ge, H.
Deposit date:2023-09-19
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural Characterization of an N-Acetyl Sugar Amidotransferase Involved in the Lipopolysaccharide Biosynthesis in Bacteria.
Int J Mol Sci, 24, 2023
4ITM
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BU of 4itm by Molmil
Crystal structure of "apo" form LpxK from Aquifex aeolicus in complex with ATP at 2.2 angstrom resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P.
Deposit date:2013-01-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1994 Å)
Cite:Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis.
Biochemistry, 52, 2013
3QG1
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BU of 3qg1 by Molmil
Crystal structure of P-loop G239A mutant of subunit A of the A1AO ATP synthase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, V-type ATP synthase alpha chain
Authors:Ragunathan, P, Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G.
Deposit date:2011-01-24
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
6F2T
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BU of 6f2t by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
3VAS
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BU of 3vas by Molmil
Adenosine kinase from Schistosoma mansoni in complex with adenosine in occluded loop conformation
Descriptor: ADENOSINE, CHLORIDE ION, Putative adenosine kinase
Authors:Romanello, L, Bachega, F.R, Garatt, R.C, DeMarco, R, Brandao-neto, J, Pereira, H.M.
Deposit date:2011-12-29
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Acta Crystallogr.,Sect.D, 69, 2013
4JDG
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BU of 4jdg by Molmil
Structure of Tomato Bifunctional Nuclease TBN1, variant N211D
Descriptor: Nuclease, PHOSPHATE ION, ZINC ION, ...
Authors:Stransky, J, Dohnalek, J, Koval, T, Podzimek, T, Lipovova, P, Matousek, J.
Deposit date:2013-02-25
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Phosphate binding in the active centre of tomato multifunctional nuclease TBN1 and analysis of superhelix formation by the enzyme
Acta Crystallogr.,Sect.F, 71, 2015
4G0P
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BU of 4g0p by Molmil
Crystal Structure of Arabidopsis thaliana AGO1 MID domain in complex with UMP
Descriptor: Protein argonaute 1, URIDINE-5'-MONOPHOSPHATE
Authors:Frank, F, Hauver, J, Sonenberg, N, Nagar, B.
Deposit date:2012-07-09
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
6F2Y
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BU of 6f2y by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with Ap4A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
4KFR
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BU of 4kfr by Molmil
Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus 2 in complex with sulfate
Descriptor: Genome packaging NTPase B204, MAGNESIUM ION, SULFATE ION
Authors:Happonen, L.J, Oksanen, E, Goldman, A, Kajander, T, Butcher, S.
Deposit date:2013-04-27
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.956 Å)
Cite:The Structure of the NTPase That Powers DNA Packaging into Sulfolobus Turreted Icosahedral Virus 2.
J.Virol., 87, 2013
3RHN
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BU of 3rhn by Molmil
HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN (HINT) FROM RABBIT COMPLEXED WITH GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN
Authors:Brenner, C, Garrison, P, Gilmour, J, Peisach, D, Ringe, D, Petsko, G.A, Lowenstein, J.M.
Deposit date:1997-02-11
Release date:1997-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins.
Nat.Struct.Biol., 4, 1997
4G0O
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BU of 4g0o by Molmil
Crystal structure of Arabidopsis thaliana AGO5 MID domain
Descriptor: Protein argonaute 5, SULFATE ION
Authors:Frank, F, Hauver, J, Sonenberg, N, Nagar, B.
Deposit date:2012-07-09
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.186 Å)
Cite:Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
4G0Z
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BU of 4g0z by Molmil
Crystal structure of Arabidopsis thaliana AGO1 MID domain in complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Protein argonaute 1
Authors:Frank, F, Hauver, J, Sonenberg, N, Nagar, B.
Deposit date:2012-07-10
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
6FEL
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BU of 6fel by Molmil
Structure of 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser511
Descriptor: 14-3-3 protein gamma, Calcium/calmodulin-dependent protein kinase kinase 2
Authors:Lentini Santo, D, Obsilova, V, Obsil, T.
Deposit date:2018-01-02
Release date:2018-01-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2).
Biochim. Biophys. Acta, 1862, 2018
4G0M
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BU of 4g0m by Molmil
Crystal structure of Arabidopsis thaliana AGO2 MID domain
Descriptor: Protein argonaute 2, SULFATE ION
Authors:Frank, F, Hauver, J, Sonenberg, N, Nagar, B.
Deposit date:2012-07-09
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
4G0Q
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BU of 4g0q by Molmil
Crystal structure of Arabidopsis thaliana AGO1 MID domain in complex with CMP
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, Protein argonaute 1
Authors:Frank, F, Hauver, J, Sonenberg, N, Nagar, B.
Deposit date:2012-07-09
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
4JEP
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BU of 4jep by Molmil
Crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDase1)
Descriptor: Nucleoside-triphosphatase 2
Authors:Krug, U, Totzauer, R, Strater, N.
Deposit date:2013-02-27
Release date:2013-04-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 represents a conformational intermediate in the reductive activation mechanism of the tetrameric enzyme.
Proteins, 81, 2013
6FIT
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BU of 6fit by Molmil
FHIT-TRANSITION STATE ANALOG
Descriptor: ADENOSINE MONOTUNGSTATE, FRAGILE HISTIDINE TRIAD PROTEIN
Authors:Lima, C.D, Klein, M.G, Hendrickson, W.A.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
4J6O
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BU of 4j6o by Molmil
Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP
Descriptor: CITRIC ACID, GLYCEROL, MANGANESE (II) ION, ...
Authors:Wang, L, Smith, P, Shuman, S.
Deposit date:2013-02-11
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and mechanism of the 2',3' phosphatase component of the bacterial Pnkp-Hen1 RNA repair system.
Nucleic Acids Res., 41, 2013
4G6Z
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BU of 4g6z by Molmil
Crystal structure of a glutamyl-tRNA synthetase GluRS from Burkholderia thailandensis bound to L-glutamate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-07-19
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Sci Rep, 7, 2017

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