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6P5O
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BU of 6p5o by Molmil
The structure of rat cytosolic PEPCK in complex with 3-(carboxymethylthiol)-picolinic acid
Descriptor: 3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
Authors:Mcleod, M.J, Holyoak, T.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Characterization of 3-[(Carboxymethyl)thio]picolinic Acid: A Novel Inhibitor of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 58, 2019
3S9E
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BU of 3s9e by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-glutamate
Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Venskutonyte, R, Frydenvang, K, Gajhede, M, Kastrup, J.S.
Deposit date:2011-06-01
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Binding site and interlobe interactions of the ionotropic glutamate receptor GluK3 ligand binding domain revealed by high resolution crystal structure in complex with (S)-glutamate.
J.Struct.Biol., 176, 2011
6MOH
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BU of 6moh by Molmil
Dimeric DARPin C_R3 complex with EpoR
Descriptor: Dimeric DARPin E2C (C_R3), Erythropoietin receptor, PHOSPHATE ION, ...
Authors:Jude, K.M, Mohan, K, Garcia, K.C.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
6P1Q
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BU of 6p1q by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated dCMP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*(8OG)P*TP*AP*CP*G)-3'), ...
Authors:Pedersen, L.C, Kaminski, A.M, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P0I
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BU of 6p0i by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
Descriptor: 1,2-ETHANEDIOL, 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, ACETATE ION, ...
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
Deposit date:2019-05-17
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6MS4
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BU of 6ms4 by Molmil
Crystal structure of the DENR-MCT-1 complex
Descriptor: Density-regulated protein, GLYCEROL, Malignant T-cell-amplified sequence 1, ...
Authors:Lomakin, I.B, Steitz, T.A, Dmitriev, S.E.
Deposit date:2018-10-16
Release date:2019-01-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal structure of the DENR-MCT-1 complex revealed zinc-binding site essential for heterodimer formation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6MUZ
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BU of 6muz by Molmil
Lysozyme, room temperature structure solved by serial 3 degree oscillation crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Kriksunov, I, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-10-24
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
1HPM
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BU of 1hpm by Molmil
HOW POTASSIUM AFFECTS THE ACTIVITY OF THE MOLECULAR CHAPERONE HSC70. II. POTASSIUM BINDS SPECIFICALLY IN THE ATPASE ACTIVE SITE
Descriptor: 44K ATPASE FRAGMENT (N-TERMINAL) OF 7O kD HEAT-SHOCK COGNATE PROTEIN, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Wilbanks, S.M, Mckay, D.B.
Deposit date:1995-03-24
Release date:1995-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:How potassium affects the activity of the molecular chaperone Hsc70. II. Potassium binds specifically in the ATPase active site.
J.Biol.Chem., 270, 1995
6PA0
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BU of 6pa0 by Molmil
Structure of the G77A mutant in Sodium Chloride
Descriptor: Antibody HEAVY fragment, Antibody LIGHT fragment, DIACYL GLYCEROL, ...
Authors:Cuello, L.G, Guan, L.
Deposit date:2019-06-11
Release date:2019-08-07
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure, function, and ion-binding properties of a K+channel stabilized in the 2,4-ion-bound configuration.
Proc.Natl.Acad.Sci.USA, 116, 2019
2BCU
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BU of 2bcu by Molmil
DNA polymerase lambda in complex with a DNA duplex containing an unpaired Damp and a T:T mismatch
Descriptor: 5'-D(*CP*AP*GP*TP*TP*CP*G)-3', 5'-D(*CP*GP*GP*CP*CP*GP*AP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Pedersen, L.C, Kunkel, T.A.
Deposit date:2005-10-19
Release date:2006-03-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of strand misalignment during DNA synthesis by a human DNA polymerase
Cell(Cambridge,Mass.), 124, 2006
6PBC
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BU of 6pbc by Molmil
Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma,1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, CALCIUM ION, SODIUM ION
Authors:Hajicek, N, Sondek, J.
Deposit date:2019-06-13
Release date:2020-01-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural basis for the activation of PLC-gamma isozymes by phosphorylation and cancer-associated mutations.
Elife, 8, 2019
4XAT
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BU of 4xat by Molmil
Crystal structure of the olfactomedin domain from noelin/pancortin/olfactomedin-1
Descriptor: CALCIUM ION, GLYCEROL, Noelin, ...
Authors:Hill, S.E, Nguyen, E, Lieberman, R.L.
Deposit date:2014-12-15
Release date:2015-07-15
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Molecular Details of Olfactomedin Domains Provide Pathway to Structure-Function Studies.
Plos One, 10, 2015
6PDG
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BU of 6pdg by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83
Descriptor: 5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.919 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PGW
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BU of 6pgw by Molmil
Crystal structure of zebrafish Protocadherin-19 EC3-6
Descriptor: CALCIUM ION, Protocadherin-19, SODIUM ION
Authors:Cooper, S.R, Hudson, J.D, Sotomayor, M.
Deposit date:2019-06-24
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:A complete Protocadherin-19 ectodomain model for evaluating epilepsy-causing mutations and potential protein interaction sites.
Structure, 29, 2021
4XN0
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BU of 4xn0 by Molmil
Tailspike protein mutant E372A of E. coli bacteriophage HK620
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2015-01-15
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
6MLG
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BU of 6mlg by Molmil
Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) R77A mutant from Salmonella typhimurium complexed with arginine
Descriptor: ACETATE ION, ARGININE, Lysine/arginine/ornithine-binding periplasmic protein, ...
Authors:Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
Deposit date:2018-09-27
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
6PDA
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BU of 6pda by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74
Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PDE
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BU of 6pde by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40
Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
4Y23
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BU of 4y23 by Molmil
Crystal structure of T399A precursor mutant protein of gamma-glutamyl transpeptidase from Bacillus licheniformis
Descriptor: Gamma glutamyl transpeptidase,Gamma-glutamyltranspeptidase, SODIUM ION
Authors:Pica, A, Merlino, A.
Deposit date:2015-02-09
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The maturation mechanism of gamma-glutamyl transpeptidases: Insights from the crystal structure of a precursor mimic of the enzyme from Bacillus licheniformis and from site-directed mutagenesis studies.
Biochim.Biophys.Acta, 1864, 2015
2BZ8
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BU of 2bz8 by Molmil
N-terminal Sh3 domain of CIN85 bound to Cbl-b peptide
Descriptor: SH3-DOMAIN KINASE BINDING PROTEIN 1, SIGNAL TRANSDUCTION PROTEIN CBL-B SH3-BINDING PROTEIN CBL-B, RING FINGER PROTEIN 56, ...
Authors:Cardenes, N, Moncalian, G, Bravo, J.
Deposit date:2005-08-12
Release date:2005-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cbl Promotes Clustering of Endocytic Adaptor Proteins
Nat.Struct.Mol.Biol., 12, 2005
6MXR
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BU of 6mxr by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Shi, R.
Deposit date:2018-10-31
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
4XQ1
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BU of 4xq1 by Molmil
Crystal structure of hemerythrin: L114A mutant
Descriptor: Bacteriohemerythrin, FE (III) ION, NITRATE ION, ...
Authors:Chuankhayan, P, Chen, K.H.C, Wu, H.H, Chen, C.J, Fukuda, M, Yu, S.S.F, Chan, S.I.
Deposit date:2015-01-18
Release date:2015-04-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The bacteriohemerythrin from Methylococcus capsulatus (Bath): Crystal structures reveal that Leu114 regulates a water tunnel.
J.Inorg.Biochem., 150, 2015
3RDQ
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BU of 3rdq by Molmil
Crystal structure of R7-2 streptavidin complexed with desthiobiotin
Descriptor: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, GLYCEROL, NICKEL (II) ION, ...
Authors:Malashkevich, V.N, Magalhaes, M, Czecster, C.M, Guan, R, Levy, M, Almo, S.C.
Deposit date:2011-04-01
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Evolved streptavidin mutants reveal key role of loop residue in high-affinity binding.
Protein Sci., 20, 2011
6P1R
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BU of 6p1r by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming AMPNPP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, CHLORIDE ION, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
4X9K
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BU of 4x9k by Molmil
Beta-ketoacyl-acyl carrier protein synthase III-2 (FabH2)(C113A) from Vibrio cholerae
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, GLYCEROL, MALONATE ION, ...
Authors:Hou, J, Chruszcz, M, Zheng, H, Grabowski, M, Chordia, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-12-11
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
to be published

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