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2ARL
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BU of 2arl by Molmil
The 2.0 angstroms crystal structure of a pocilloporin at pH 3.5: the structural basis for the linkage between color transition and halide binding
Descriptor: ACETIC ACID, CHLORIDE ION, GFP-like non-fluorescent chromoprotein, ...
Authors:Wilmann, P.G, Battad, J, Beddoe, T, Olsen, S, Smith, S.C, Dove, S, Devenish, R.J, Rossjohn, J, Prescott, M.
Deposit date:2005-08-19
Release date:2006-09-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0 angstroms crystal structure of a pocilloporin at pH 3.5: the structural basis for the linkage between color transition and halide binding
Photochem.Photobiol., 82, 2006
1ZZL
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BU of 1zzl by Molmil
Crystal structure of P38 with triazolopyridine
Descriptor: 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14
Authors:McClure, K.F, Han, S.
Deposit date:2005-06-14
Release date:2005-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase.
J.Med.Chem., 48, 2005
2EJN
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BU of 2ejn by Molmil
Structural characterization of the tetrameric form of the major cat allergen fel D 1
Descriptor: CALCIUM ION, Major allergen I polypeptide chain 1, chain 2
Authors:Kaiser, L, Velickovic, T.C, Badia-Martinez, D, Adedoyin, J, Thunberg, S, Hallen, D, Berndt, K, Gronlund, H, Gafvelin, G, van Hage, M, Achour, A.
Deposit date:2007-03-19
Release date:2007-04-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural characterization of the tetrameric form of the major cat allergen Fel d 1
J.Mol.Biol., 370, 2007
2AIX
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BU of 2aix by Molmil
X-ray structure of the GLUR2 ligand-binding core (S1S2J) in complex with (s)-thio-atpa at 2.2 a resolution.
Descriptor: (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID, Glutamate receptor 2
Authors:Kastrup, J.S.
Deposit date:2005-08-01
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Distinct kinetics of ionotropic glutamate receptor 2 splice variants characterized by fast agonist application and crystallization of a receptor-ligand complex.
To be Published
2CCR
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BU of 2ccr by Molmil
Structure of Beta-1,4-Galactanase
Descriptor: CALCIUM ION, TRIETHYLENE GLYCOL, YVFO, ...
Authors:Le Nours, J, De Maria, L, Welner, D, Jorgensen, C.T, Christensen, L.L.H, Larsen, S, Lo Leggio, L.
Deposit date:2006-01-18
Release date:2006-03-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Investigating the Binding of Beta-1,4-Galactan to Bacillus Licheniformis Beta-1,4-Galactanase by Crystallography and Computational Modeling.
Proteins, 75, 2009
2AAG
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BU of 2aag by Molmil
Crystal Structures of the Wild-type, Mutant-P1A and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities
Descriptor: Malonate Semialdehyde Decarboxylase
Authors:Almrud, J.J, Poelarends, G.J, Johnson Jr, W.H, Serrano, H, Hackert, M.L, Whitman, C.P.
Deposit date:2005-07-13
Release date:2005-11-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of the Wild-Type, P1A Mutant, and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities
Biochemistry, 44, 2005
2DWS
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BU of 2dws by Molmil
Cu-containing nitrite reductase at pH 8.4 with bound nitrite
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
Authors:Jacobson, F.
Deposit date:2006-08-16
Release date:2006-12-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:pH Dependence of Copper Geometry, Reduction Potential, and Nitrite Affinity in Nitrite Reductase
J.Biol.Chem., 282, 2007
2B13
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BU of 2b13 by Molmil
Truncated S. aureus LytM, P41 crystal form
Descriptor: Glycyl-glycine endopeptidase lytM, L(+)-TARTARIC ACID, ZINC ION
Authors:Firczuk, M, Mucha, A, Bochtler, M.
Deposit date:2005-09-15
Release date:2006-01-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of active LytM.
J.Mol.Biol., 354, 2005
2FCP
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BU of 2fcp by Molmil
FERRIC HYDROXAMATE UPTAKE RECEPTOR (FHUA) FROM E.COLI
Descriptor: 2-TRIDECANOYLOXY-PENTADECANOIC ACID, 3-OXO-PENTADECANOIC ACID, ACETOACETIC ACID, ...
Authors:Hofmann, E, Ferguson, A.D, Diederichs, K, Welte, W.
Deposit date:1998-10-15
Release date:1999-01-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Siderophore-mediated iron transport: crystal structure of FhuA with bound lipopolysaccharide.
Science, 282, 1998
2FQL
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BU of 2fql by Molmil
Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae
Descriptor: Frataxin homolog, mitochondrial
Authors:Al-Karadaghi, S, Karlberg, T.
Deposit date:2006-01-18
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:The structures of frataxin oligomers reveal the mechanism for the delivery and detoxification of iron.
Structure, 14, 2006
2FPD
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BU of 2fpd by Molmil
Sad structure determination: crystal structure of the intrinsic dimerization sh3 domain of the ib1 scaffold protein
Descriptor: C-jun-amino-terminal kinase interacting protein 1, SULFATE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Kristensen, O, Dar, I, Gajhede, M.
Deposit date:2006-01-16
Release date:2006-02-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006
4MIH
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BU of 4mih by Molmil
Pyranose 2-oxidase from Phanerochaete chrysosporium, recombinant H158A mutant
Descriptor: 3-deoxy-3-fluoro-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
Authors:Hassan, N, Tan, T.C, Spadiut, O, Pisanelli, I, Fusco, L, Haltrich, D, Peterbauer, C, Divne, C.
Deposit date:2013-08-31
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Phanerochaete chrysosporium pyranose 2-oxidase suggest that the N-terminus acts as a propeptide that assists in homotetramer assembly.
FEBS Open Bio, 3, 2013
4LBW
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BU of 4lbw by Molmil
Identifying ligand binding hot spots in proteins using brominated fragments
Descriptor: AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ...
Authors:Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P.
Deposit date:2013-06-21
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
2GAS
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BU of 2gas by Molmil
Crystal Structure of Isoflavone Reductase
Descriptor: isoflavone reductase
Authors:Wang, X, He, X, Lin, J, Shao, H, Chang, Z, Dixon, R.A.
Deposit date:2006-03-09
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Isoflavone Reductase from Alfalfa (Medicago sativa L.)
J.Mol.Biol., 358, 2006
7QYN
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BU of 7qyn by Molmil
Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-01-28
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
4NWD
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BU of 4nwd by Molmil
Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist (2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid at 2.6 A resolution
Descriptor: (4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Venskutonyte, R, Larsen, A.P, Frydenvang, K, Gajhede, M, Kastrup, J.S.
Deposit date:2013-12-06
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain.
Chemmedchem, 9, 2014
7Q6P
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BU of 7q6p by Molmil
Crystal Structure of bacterial Prolyl Peptidyl Isomerase with 5,5'-difluoroleucines
Descriptor: Peptidyl-prolyl cis-trans isomerase B, SULFATE ION
Authors:Tars, K, Jaudzems, K, Recacha, R.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure of bacterial Prolyl Peptidyl Isomerase with 5,5'-difluoroleucines
To Be Published
4M4L
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BU of 4m4l by Molmil
The structure of Cu T6 bovine insulin
Descriptor: COPPER (II) ION, Insulin
Authors:Frankaer, C.G, Harris, P, Stahl, K.
Deposit date:2013-08-07
Release date:2014-01-15
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Towards accurate structural characterization of metal centres in protein crystals: the structures of Ni and Cu T6 bovine insulin derivatives.
Acta Crystallogr.,Sect.D, 70, 2014
4O6K
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BU of 4o6k by Molmil
The crystal structure of zebrafish IL-22
Descriptor: Interleukin 22
Authors:Siupka, P, Hamming, O.J, Fretaud, M, Luftalla, G, Levraud, J.P, Hartmann, R.
Deposit date:2013-12-21
Release date:2014-09-10
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of zebrafish IL-22 reveals an evolutionary, conserved structure highly similar to that of human IL-22.
Genes Immun., 15, 2014
4N07
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BU of 4n07 by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM-344 at 1.87 A resolution
Descriptor: 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ...
Authors:Noerholm, A.B, Frydenvang, K, Kastrup, J.S.
Deposit date:2013-10-01
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Synthesis, pharmacological and structural characterization, and thermodynamic aspects of GluA2-positive allosteric modulators with a 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide scaffold.
J.Med.Chem., 56, 2013
7R02
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BU of 7r02 by Molmil
Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-01
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
7R4E
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BU of 7r4e by Molmil
RVX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-08
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.00001168 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
7R2F
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BU of 7r2f by Molmil
Structure of tabun inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-04
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
7R3C
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BU of 7r3c by Molmil
VX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-07
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.40000415 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
7R0A
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BU of 7r0a by Molmil
Structure of sarin phosphonylated acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-01
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022

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