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7TNH
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BU of 7tnh by Molmil
Crystal structure of CSF1R kinase domain in complex with DP-6233
Descriptor: 2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide, CHLORIDE ION, Macrophage colony-stimulating factor 1 receptor,Fibroblast growth factor receptor 1 chimera, ...
Authors:Edwards, T.E, Arakaki, T.L, Chun, L, Flynn, D.L.
Deposit date:2022-01-21
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of acyl ureas as highly selective small molecule CSF1R kinase inhibitors.
Bioorg.Med.Chem.Lett., 74, 2022
3KYK
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BU of 3kyk by Molmil
Crystal structure of li33 Igg1 Fab
Descriptor: Heavy Chain Li33 IgG1, Light Chain Li33 IgG1, SULFATE ION
Authors:Silvian, L.F, Pepinsky, R.B, Walus, L.
Deposit date:2009-12-06
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Improving the solubility of anti-LINGO-1 monoclonal antibody Li33 by isotype switching and targeted mutagenesis.
Protein Sci., 19, 2010
2KRB
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BU of 2krb by Molmil
Solution structure of EIF3B-RRM bound to EIF3J peptide
Descriptor: Eukaryotic translation initiation factor 3 subunit B, Eukaryotic translation initiation factor 3 subunit J
Authors:Elantak, L, Wagner, S, Herrmannova, A, Janoskova, M, Rutkai, E, Lukavsky, P.J, Valasek, L.
Deposit date:2009-12-16
Release date:2010-01-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The indispensable N-terminal half of eIF3j/HCR1 co-operates with its structurally conserved binding partner eIF3b/PRT1-RRM and eIF1A in stringent AUG selection
To be Published
1ZAT
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BU of 1zat by Molmil
Crystal Structure of an Enterococcus faecium peptidoglycan binding protein at 2.4 A resolution
Descriptor: L,D-transpeptidase, SULFATE ION, ZINC ION
Authors:Biarrotte-Sorin, S, Hugonnet, J.-E, Mainardi, J.-L, Gutmann, L, Rice, L, Arthur, M, Mayer, C.
Deposit date:2005-04-07
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of a Novel beta-Lactam-insensitive Peptidoglycan Transpeptidase.
J.Mol.Biol., 359, 2006
6U7L
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BU of 6u7l by Molmil
2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli.
Descriptor: CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming)
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-09-03
Release date:2019-11-06
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment.
Protein Sci., 29, 2020
5JBE
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BU of 5jbe by Molmil
4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121 complexed with an isomalto-maltopentasaccharide
Descriptor: ACETATE ION, CALCIUM ION, Inactive glucansucrase, ...
Authors:Pijning, T, Dijkstra, B.W, Bai, Y, Gangoiti-Munecas, J, Dijkhuizen, L.
Deposit date:2016-04-13
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of 4,6-alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from alpha-Amylases in Oral Bacteria.
Structure, 25, 2017
2KKZ
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BU of 2kkz by Molmil
Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R].
Descriptor: Non-structural protein NS1
Authors:Aramini, J.M, Ma, L, Lee, H, Zhao, L, Cunningham, K, Ciccosanti, C, Janjua, H, Fang, Y, Xiao, R, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-29
Release date:2009-07-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R].
To be Published
3HYK
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BU of 3hyk by Molmil
2.31 Angstrom resolution crystal structure of a holo-(acyl-carrier-protein) synthase from Bacillus anthracis str. Ames in complex with CoA (3',5'-ADP)
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, CHLORIDE ION, Holo-[acyl-carrier-protein] synthase, ...
Authors:Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-06-22
Release date:2009-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural characterization and comparison of three acyl-carrier-protein synthases from pathogenic bacteria.
Acta Crystallogr.,Sect.D, 68, 2012
2GMP
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BU of 2gmp by Molmil
Metal-free (apo) P. angolensis seed lectin in complex with GlcNAC-beta(1-2)Man
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, SULFATE ION, lectin
Authors:Garcia-Pino, A, Buts, L, Wyns, L, Loris, R.
Deposit date:2006-04-07
Release date:2006-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin.
J.Mol.Biol., 361, 2006
2GNT
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BU of 2gnt by Molmil
EDTA treated P. angolensis lectin (PAL) remetallized with calcium (1 hour treatment)
Descriptor: CALCIUM ION, lectin
Authors:Garcia-Pino, A, Buts, L, Wyns, L, Loris, R.
Deposit date:2006-04-11
Release date:2006-07-25
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin.
J.Mol.Biol., 361, 2006
6SZE
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BU of 6sze by Molmil
RIP2 Kinase Catalytic Domain complex with 5-Amino-1-Phenylpyrazole-4-Carboxamide.
Descriptor: 5-Amino-1-Phenylpyrazole-4-Carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
Authors:Convery, M.A, Charnley, A.K, Shewchuk, L.
Deposit date:2019-10-02
Release date:2019-10-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SLK
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BU of 6slk by Molmil
Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus
Descriptor: L-2,4-diaminobutyric acid acetyltransferase, SODIUM ION, SULFATE ION
Authors:Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J.
Deposit date:2019-08-20
Release date:2020-01-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
7CCF
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BU of 7ccf by Molmil
Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with cytochrome P450 CreJ
Descriptor: (3-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dong, S, Du, L, Li, S.Y, Feng, Y.G.
Deposit date:2020-06-17
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Selective Oxidation of Phosphorylated Ethylphenols by Cytochrome P450 Monooxygenase CreJ.
Appl.Environ.Microbiol., 87, 2021
6HKQ
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BU of 6hkq by Molmil
Human GPX4 in complex with covalent Inhibitor ML162 (S enantiomer)
Descriptor: (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, L, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S.
Deposit date:2018-09-07
Release date:2020-04-01
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Acta Crystallogr D Struct Biol, 77, 2021
3HZF
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BU of 3hzf by Molmil
Structure of TR-alfa bound to selective thyromimetic GC-1 in C2 space group
Descriptor: Thyroid hormone receptor, alpha isoform 1 variant, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
Authors:Aparicio, R, Bleicher, L, Polikarpov, I.
Deposit date:2009-06-23
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms.
Bmc Struct.Biol., 8, 2008
2GME
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BU of 2gme by Molmil
Metal-free (apo) P. angolensis seed lectin
Descriptor: SULFATE ION, lectin
Authors:Garcia-Pino, A, Buts, L, Wyns, L, Loris, R.
Deposit date:2006-04-06
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin.
J.Mol.Biol., 361, 2006
2GNM
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BU of 2gnm by Molmil
P. angolensis lectin (PAL) treated with EDTA for 39 hours
Descriptor: CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose, ...
Authors:Garcia-Pino, A, Buts, L, Wyns, L, Loris, R.
Deposit date:2006-04-10
Release date:2006-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin.
J.Mol.Biol., 361, 2006
2GMM
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BU of 2gmm by Molmil
Metal-free (apo) P. angolensis seed lectin in complex with Man-alpha(1-2)Man
Descriptor: SULFATE ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, lectin
Authors:Garcia-Pino, A, Buts, L, Wyns, L, Loris, R.
Deposit date:2006-04-07
Release date:2006-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin.
J.Mol.Biol., 361, 2006
2GND
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BU of 2gnd by Molmil
One hour EDTA treatment, P. angolensis lectin
Descriptor: CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose, ...
Authors:Garcia-Pino, A, Buts, L, Wyns, L, Loris, R.
Deposit date:2006-04-10
Release date:2006-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin.
J.Mol.Biol., 361, 2006
3L8W
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BU of 3l8w by Molmil
Urate oxidase from aspergillus flavus complexed with xanthin
Descriptor: SODIUM ION, Uricase, XANTHINE, ...
Authors:Prange, T, Gabison, L, Colloc'h, N, Chiadmi, M.
Deposit date:2010-01-04
Release date:2010-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1 Å)
Cite:Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
3LAY
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BU of 3lay by Molmil
Alpha-Helical barrel formed by the decamer of the zinc resistance-associated protein (STM4172) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Descriptor: Zinc resistance-associated protein
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-01-07
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Alpha-Helical barrel formed by the decamer of the zinc resistance-associated protein (STM4172) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
To be Published
3LBF
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BU of 3lbf by Molmil
Crystal structure of Protein L-isoaspartyl methyltransferase from Escherichia coli
Descriptor: GLYCEROL, PHOSPHATE ION, Protein-L-isoaspartate O-methyltransferase, ...
Authors:Fang, P, Li, X, Wang, J, Niu, L, Teng, M.
Deposit date:2010-01-08
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the protein L-isoaspartyl methyltransferase from Escherichia coli
Cell Biochem.Biophys., 58, 2010
6RQA
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BU of 6rqa by Molmil
Crystal structure of the iminosuccinate reductase of Paracoccus denitrificans in complex with NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TERBIUM(III) ION, Tb-Xo4, ...
Authors:Zarzycki, J, Severi, F, Schada von Borzyskowski, L, Erb, T.J.
Deposit date:2019-05-15
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Marine Proteobacteria metabolize glycolate via the beta-hydroxyaspartate cycle.
Nature, 575, 2019
2GWG
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BU of 2gwg by Molmil
Crystal Structure of 4-Oxalomesaconate Hydratase, LigJ, from Rhodopseudomonas palustris, Northeast Structural Genomics Target RpR66.
Descriptor: 4-oxalomesaconate hydratase, ZINC ION
Authors:Forouhar, F, Abashidze, M, Jayaraman, S, Cunningham, K, Ciao, M, Ma, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-05-04
Release date:2006-05-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of 4-Oxalomesaconate Hydratase, LigJ, from Rhodopseudomonas palustris, Northeast Structural Genomics Target RpR66
To be Published
2GN7
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BU of 2gn7 by Molmil
Metal-free (apo) P. angolensis seed lectin in complex with Man-alpha(1-3)Man-alpha(1-6)Man
Descriptor: alpha-D-mannopyranose, beta-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, lectin
Authors:Garcia-Pino, A, Buts, L, Wyns, L, Loris, R.
Deposit date:2006-04-09
Release date:2006-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin.
J.Mol.Biol., 361, 2006

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