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7MGU
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BU of 7mgu by Molmil
Improved ligand discovery using micro-beam data collection at the edge of protein crystals
Descriptor: 1,2-ETHANEDIOL, ARGININE, Endo-1,4-beta-xylanase, ...
Authors:Soares, A.S, Jakoncic, J.
Deposit date:2021-04-13
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improved ligand discovery using micro-beam data collection at the edge of protein crystals
To Be Published
4HTI
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BU of 4hti by Molmil
Crystallographic structure of the membrane-proximal ectodomain of the human receptor-type protein-tyrosine phosphatase phogrin
Descriptor: Receptor-type tyrosine-protein phosphatase N2
Authors:Noguera, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R.
Deposit date:2012-11-01
Release date:2012-11-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:X-ray structure of the mature ectodomain of phogrin.
J.Struct.Funct.Genom., 16, 2015
4GRZ
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BU of 4grz by Molmil
Crystal structure of SHP1 catalytic domain with PO4
Descriptor: PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 6
Authors:Alicea-Velazquez, N.L, Jakoncic, J, Boggon, T.J.
Deposit date:2012-08-27
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3732 Å)
Cite:Structure-guided studies of the SHP-1/JAK1 interaction provide new insights into phosphatase catalytic domain substrate recognition.
J.Struct.Biol., 181, 2013
4GRY
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BU of 4gry by Molmil
Crystal structure of SHP1 catalytic domain with SO4
Descriptor: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 6
Authors:Alicea-Velazquez, N.L, Jakoncic, J, Boggon, T.J.
Deposit date:2012-08-27
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6998 Å)
Cite:Structure-guided studies of the SHP-1/JAK1 interaction provide new insights into phosphatase catalytic domain substrate recognition.
J.Struct.Biol., 181, 2013
4GS0
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BU of 4gs0 by Molmil
Crystal structure of SHP1 catalytic domain with JAK1 activation loop peptide
Descriptor: Tyrosine-protein kinase JAK1, Tyrosine-protein phosphatase non-receptor type 6
Authors:Alicea-Velazquez, N.L, Jakoncic, J, Boggon, T.J.
Deposit date:2012-08-27
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7961 Å)
Cite:Structure-guided studies of the SHP-1/JAK1 interaction provide new insights into phosphatase catalytic domain substrate recognition.
J.Struct.Biol., 181, 2013
4GVU
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BU of 4gvu by Molmil
Lyngbyastatin 7-Porcine Pancreatic Elastase Co-crystal Structure
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, Lyngbyastatin 7, ...
Authors:Salvador, L.A, Taori, K, Biggs, J.S, Jakoncic, J, Ostrov, D, Paul, V.J, Luesch, H.
Deposit date:2012-08-31
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Potent elastase inhibitors from cyanobacteria: structural basis and mechanisms mediating cytoprotective and anti-inflammatory effects in bronchial epithelial cells.
J.Med.Chem., 56, 2013
4HTJ
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BU of 4htj by Molmil
Crystallographic structure of the membrane-proximal ectodomain of the human receptor-type protein-tyrosine phosphatase phogrin at pH 4.6
Descriptor: Receptor-type tyrosine-protein phosphatase N2
Authors:Noguera, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R.
Deposit date:2012-11-01
Release date:2012-11-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:X-ray structure of the mature ectodomain of phogrin.
J.Struct.Funct.Genom., 16, 2015
3D6A
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BU of 3d6a by Molmil
Crystal structure of the 2H-phosphatase domain of Sts-2 in complex with tungstate.
Descriptor: MAGNESIUM ION, SODIUM ION, Sts-2 protein, ...
Authors:Chen, Y, Carpino, N, Nassar, N.
Deposit date:2008-05-19
Release date:2009-03-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and functional characterization of the 2H-phosphatase domain of Sts-2 reveals an acid-dependent phosphatase activity.
Biochemistry, 48, 2009
5A23
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BU of 5a23 by Molmil
SdsA sulfatase triclinic form
Descriptor: SDS HYDROLASE SDSA1, ZINC ION
Authors:De la Mora, E, Flores-Hernandez, E, Jakoncik, J, Stojanoff, V, Sanchez-Puig, N, Moreno, A.
Deposit date:2015-05-11
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques
J.Appl.Crystallogr., 48, 2015
8G83
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BU of 8g83 by Molmil
Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain
Descriptor: NAD(+) hydrolase AbTIR
Authors:Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A.
Deposit date:2023-02-17
Release date:2023-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
4MQV
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BU of 4mqv by Molmil
Crystal complex of Rpa32c and Smarcal1 N-terminus
Descriptor: Replication protein A 32 kDa subunit, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A-like protein 1
Authors:Xie, S, Qian, C.M.
Deposit date:2013-09-16
Release date:2014-07-02
Last modified:2014-12-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of RPA32 bound to the N-terminus of SMARCAL1 redefines the binding interface between RPA32 and its interacting proteins
Febs J., 281, 2014
3C7T
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BU of 3c7t by Molmil
Crystal structure of the ecdysone phosphate phosphatase, EPPase, from Bombix mori in complex with tungstate
Descriptor: CHLORIDE ION, Ecdysteroid-phosphate phosphatase, IODIDE ION, ...
Authors:Chen, Y, Carpino, N, Nassar, N.
Deposit date:2008-02-08
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and functional characterization of the c-terminal domain of the ecdysteroid phosphate phosphatase from Bombyx mori reveals a new enzymatic activity.
Biochemistry, 47, 2008
7U1B
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BU of 7u1b by Molmil
Crystal structure of EstG in complex with tantalum cluster
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, Beta-lactamase domain-containing protein, ...
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2022-02-20
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
7U1C
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BU of 7u1c by Molmil
Structure of EstG crystalized with SO4 and Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ...
Authors:Gabelli, S.B, Chen, Z.
Deposit date:2022-02-20
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
7UDA
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BU of 7uda by Molmil
Structure of the EstG
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2022-03-18
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
3DB1
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BU of 3db1 by Molmil
Crystal structure of the 2H-phosphatase domain of Sts-2 in complex with phosphate
Descriptor: PHOSPHATE ION, STS-2 protein
Authors:Nassar, N, Chen, Y, Carpino, N.
Deposit date:2008-05-30
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural and functional characterization of the 2H-phosphatase domain of Sts-2 reveals an acid-dependent phosphatase activity.
Biochemistry, 48, 2009
6B0T
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BU of 6b0t by Molmil
Structural Insights into the Induced-fit Inhibition of Fascin by a Small Molecule
Descriptor: 4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide, Fascin
Authors:Dey, R, Huang, X.Y.
Deposit date:2017-09-15
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Induced-fit Inhibition of Fascin by a Small-Molecule Inhibitor.
J. Mol. Biol., 430, 2018
4X3K
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BU of 4x3k by Molmil
Crystal structure of chromobox homolog 7 (CBX7) chromodomain with H3K27me3 peptide
Descriptor: Chromobox protein homolog 7, H3K27me3 peptide, NICKEL (II) ION, ...
Authors:Ren, C, Zhou, M.M.
Deposit date:2014-12-01
Release date:2015-03-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
4X3U
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BU of 4x3u by Molmil
Crystal structure of chromobox homolog 7 (CBX7) chromodomain with Suramin
Descriptor: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Chromobox protein homolog 7
Authors:Ren, C, Zhou, M.M.
Deposit date:2014-12-01
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
4X3S
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BU of 4x3s by Molmil
Crystal structure of chromobox homology 7 (CBX7) with SETDB1-1170me3 Peptide
Descriptor: CITRIC ACID, Chromobox protein homolog 7, FE (III) ION, ...
Authors:Ren, C, Plotnikov, A.N, Zhou, M.M.
Deposit date:2014-12-01
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
3UPR
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BU of 3upr by Molmil
HLA-B*57:01 complexed to pep-V and Abacavir
Descriptor: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ...
Authors:Pompeu, Y.A, Ostrov, D.A.
Deposit date:2011-11-18
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire.
Proc.Natl.Acad.Sci.USA, 109, 2012
6MKJ
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BU of 6mkj by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the closed conformation
Descriptor: penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Soares, A, D'Andrea, E.D, Jaconcic, J, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.864 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6BSR
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BU of 6bsr by Molmil
Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the benzylpenicillin bound form.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Moon, T.M, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2017-12-04
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
3BDB
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BU of 3bdb by Molmil
Crystal Structure of Novel Immune-Type Receptor 11 Extracellular Fragment from Ictalurus punctatus including Stalk Region
Descriptor: Novel immune-type receptor 11
Authors:Ostrov, D.A, Hernandez Prada, J.A, Haire, R.N, Cannon, J.P, Magis, A.T, Bailey, K.M, Litman, G.W.
Deposit date:2007-11-14
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A bony fish immunological receptor of the NITR multigene family mediates allogeneic recognition.
Immunity, 29, 2008
6BSQ
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BU of 6bsq by Molmil
Enterococcus faecalis Penicillin Binding Protein 4 (PBP4)
Descriptor: CHLORIDE ION, GLYCEROL, PBP4 protein
Authors:Moon, T.M, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2017-12-04
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018

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