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7TC2
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BU of 7tc2 by Molmil
Human APE1 in complex with 5-nitroindole-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Pidugu, L.S, Pozharski, E, Drohat, A.C.
Deposit date:2021-12-22
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
2WF6
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BU of 2wf6 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and Aluminium tetrafluoride
Descriptor: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-04-03
Release date:2010-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
2WF5
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BU of 2wf5 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and trifluoromagnesate
Descriptor: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Bowler, M.W, Baxter, N.J, Webster, C.E, Hounslow, A.M, Cliff, M.J, Williams, N.H, Hollfelder, F, Gamblin, S, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-04-03
Release date:2009-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
3K0O
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BU of 3k0o by Molmil
Room temperature structure of CypA mutant Ser99Thr
Descriptor: Cyclophilin A
Authors:Fraser, J.S, Alber, T.
Deposit date:2009-09-24
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
3K7V
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BU of 3k7v by Molmil
Protein phosphatase 2A core complex bound to dinophysistoxin-1
Descriptor: (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ...
Authors:Jeffrey, P.D, Huhn, J, Shi, Y.
Deposit date:2009-10-13
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A structural basis for the reduced toxicity of dinophysistoxin-2.
Chem.Res.Toxicol., 22, 2009
8RHR
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BU of 8rhr by Molmil
E.coli Peptide Deformylase with bound inhibitor BB4
Descriptor: 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Kirschner, H, Stoll, R, Hofmann, E.
Deposit date:2023-12-16
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Toward More Selective Antibiotic Inhibitors: A Structural View of the Complexed Binding Pocket of E. coli Peptide Deformylase.
J.Med.Chem., 67, 2024
2WJL
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BU of 2wjl by Molmil
Bacteriorhodopsin mutant E194D
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Potschies, M, Wolf, S, Freier, E, Hofmann, E, Gerwert, K.
Deposit date:2009-05-27
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode.
Angew. Chem. Int. Ed. Engl., 49, 2010
7F0S
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BU of 7f0s by Molmil
A crystal structure of alphavirus nonstructural protein 4 (nsP4) reveals an intrinsically 1dynamic RNA-dependent RNA polymerase
Descriptor: RNA-directed RNA polymerase nsP4
Authors:Tan, Y.B, Luo, D.
Deposit date:2021-06-06
Release date:2022-02-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold.
Nucleic Acids Res., 50, 2022
3KXZ
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BU of 3kxz by Molmil
The complex crystal structure of LCK with a probe molecule w259
Descriptor: 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide, CALCIUM ION, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Xu, Z.B, Moy, F.J, Kelleher, K, Mosyak, L, Protein Structure Factory (PSF)
Deposit date:2009-12-04
Release date:2010-06-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance.
J.Med.Chem., 53, 2010
7FCW
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BU of 7fcw by Molmil
X-ray structure of H2O-solvent lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, NICKEL (II) ION
Authors:Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S.
Deposit date:2021-07-15
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7FCU
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BU of 7fcu by Molmil
X-ray structure of D2O-solvent lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, NICKEL (II) ION
Authors:Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S.
Deposit date:2021-07-15
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
2W0Z
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BU of 2w0z by Molmil
Grb2 SH3C (3)
Descriptor: GRB2-ASSOCIATED-BINDING PROTEIN 2, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
Authors:Harkiolaki, M, Tsirka, T, Feller, S.M.
Deposit date:2008-10-13
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
3K0P
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BU of 3k0p by Molmil
Cryogenic structure of CypA mutant Ser99Thr
Descriptor: Cyclophilin A
Authors:Fraser, J.S, Alber, T.
Deposit date:2009-09-24
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
2WAC
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BU of 2wac by Molmil
Extended Tudor domain of Drosophila Melanogaster Tudor-SN (p100)
Descriptor: CG7008-PA
Authors:Friberg, A, Corsini, L, Sattler, M.
Deposit date:2009-02-04
Release date:2009-03-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Ligand Binding of the Extended Tudor Domain of D. Melanogaster Tudor-Sn
J.Mol.Biol., 387, 2009
3K7W
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BU of 3k7w by Molmil
Protein phosphatase 2A core complex bound to dinophysistoxin-2
Descriptor: (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[( 2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ...
Authors:Jeffrey, P.D, Huhn, J, Shi, Y.
Deposit date:2009-10-13
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:A structural basis for the reduced toxicity of dinophysistoxin-2.
Chem.Res.Toxicol., 22, 2009
3HNX
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BU of 3hnx by Molmil
Crystal structure of a designed Cyanovirin-N homolog lectin; LKAMG in P212121 space group
Descriptor: Cyanovirin-N-like protein
Authors:Koharudin, L.M.I, Furey, W, Gronenborn, A.M.
Deposit date:2009-06-01
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:A designed chimeric cyanovirin-N homolog lectin: Structure and molecular basis of sucrose binding.
Proteins, 77, 2009
3HNU
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BU of 3hnu by Molmil
Crystal structure of a designed Cyanovirin-N homolog lectin; LKAMG in P21 space group
Descriptor: Cyanovirin-N-like protein
Authors:Koharudin, L.M.I, Furey, W, Gronenborn, A.M.
Deposit date:2009-06-01
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A designed chimeric cyanovirin-N homolog lectin: Structure and molecular basis of sucrose binding.
Proteins, 77, 2009
7E4L
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BU of 7e4l by Molmil
Conversion of pyrophosphate-dependent myo-inositol-1 kinase into myo-inositol-3 kinase by N78L/S89L mutation
Descriptor: MAGNESIUM ION, METHYLENEDIPHOSPHONIC ACID, PfkB domain-containing protein
Authors:Tashiro, R, Miki, K, Fujihashi, M.
Deposit date:2021-02-14
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Altering the Phosphorylation Position of Pyrophosphate-Dependent myo -Inositol-1-Kinase Based on Its Crystal Structure.
Acs Chem.Biol., 16, 2021
2WHE
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BU of 2whe by Molmil
Structure of native Beta-Phosphoglucomutase in an open conformation without bound ligands.
Descriptor: BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION
Authors:Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-05-04
Release date:2009-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Atomic Details of Near-Transition State Conformers for Enzyme Phosphoryl Transfer Revealed by Mgf-3 Rather Than by Phosphoranes.
Proc.Natl.Acad.Sci.USA, 107, 2010
2WJK
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BU of 2wjk by Molmil
Bacteriorhodopsin mutant E204D
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Potschies, M, Hofmann, E, Gerwert, K.
Deposit date:2009-05-27
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode.
Angew. Chem. Int. Ed. Engl., 49, 2010
7FZX
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BU of 7fzx by Molmil
Crystal Structure of human FABP4 in complex with (2S)-6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic acid
Descriptor: (2S)-6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7G0N
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BU of 7g0n by Molmil
Crystal Structure of delipidated apo human FABP4
Descriptor: 1,2-ETHANEDIOL, Fatty acid-binding protein, adipocyte, ...
Authors:Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of delipidated apo human FABP4
To be published
7DAB
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BU of 7dab by Molmil
plant peptide hormone
Descriptor: Maternally expressed gene14
Authors:Umetsu, Y, Ohki, S.
Deposit date:2020-10-16
Release date:2021-10-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:plant peptide hormone
To Be Published
7DD4
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BU of 7dd4 by Molmil
Solution structure of an RNA derived from the joint region of the TAR and PolyA stems of HIV-1 genomic RNA
Descriptor: RNA (36-MER)
Authors:Obayashi, C.M, Shinohara, Y, Masuda, T, Kawai, G.
Deposit date:2020-10-27
Release date:2021-06-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Influence of the 5'-terminal sequences on the 5'-UTR structure of HIV-1 genomic RNA.
Sci Rep, 11, 2021
7DTK
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BU of 7dtk by Molmil
Crystal structure of the RecA1 domain of RNA helicase CGH-1 in C. elegans
Descriptor: ATP-dependent RNA helicase cgh-1, GLYCEROL
Authors:Hong, J.J, Lv, M.Q, Zhang, Y.
Deposit date:2021-01-05
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Structural and biochemical insights into the recognition of RNA helicase CGH-1 by CAR-1 in C. elegans.
Biochem.Biophys.Res.Commun., 549, 2021

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