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7OB8
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BU of 7ob8 by Molmil
Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBC
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BU of 7obc by Molmil
Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBT
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BU of 7obt by Molmil
Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-23
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
1BY3
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BU of 1by3 by Molmil
FHUA FROM E. COLI
Descriptor: N-OCTYL-2-HYDROXYETHYL SULFOXIDE, PROTEIN (FERRICHROME-IRON RECEPTOR PRECURSOR (FHUA))
Authors:Locher, K.P, Rees, B, Koebnik, R, Mitschler, A, Moulinier, L, Rosenbusch, J.P, Moras, D.
Deposit date:1998-10-22
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Transmembrane signaling across the ligand-gated FhuA receptor: crystal structures of free and ferrichrome-bound states reveal allosteric changes.
Cell(Cambridge,Mass.), 95, 1998
8KGB
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BU of 8kgb by Molmil
SlNDPS1-AtcPT4 Chimera complexed with GSPP, Mg2+, and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Dimethylallylcistransferase CPT1, chloroplastic,Dehydrodolichyl diphosphate synthase 2, ...
Authors:Suenaga-Hiromori, M, Ishii, T, Imaizumi, R, Takeshita, K, Yanai, T, Matsuura, H, Sakai, N, Yamaguchi, H, Yanbe, F, Waki, T, Tozawa, Y, Miyagi-Inoue, Y, Yamamoto, M, Kataoka, K, Nakayama, T, Yamashita, S, Takahashi, S.
Deposit date:2023-08-18
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A versatile system for enzymatic synthesis of natural and unnatural polyisoprenoids on rubber particles
To Be Published
8QXZ
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BU of 8qxz by Molmil
Xylanase from Bacillus circulans mutant E78Q/Y69A
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endo-1,4-beta-xylanase, ...
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-10-25
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
8QY2
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BU of 8qy2 by Molmil
Xylanase from Bacillus circulans mutant E78Q/F125A
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, GLYCEROL, ...
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-10-25
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
8VLJ
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BU of 8vlj by Molmil
Crystal structure of the cacodylate-bound yeast cytosine deaminase (closed form)
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, Cytosine deaminase, ...
Authors:Picard, M.-E, Grenier, J, Despres, P.C, Dube, A.K, Landry, C.R, Shi, R.
Deposit date:2024-01-11
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Compensatory mutations potentiate constructive neutral evolution by gene duplication
Science, 2024
8VLK
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BU of 8vlk by Molmil
Crystal structure of the yeast cytosine deaminase containing both open and closed active sites
Descriptor: 1,2-ETHANEDIOL, Cytosine deaminase, SULFATE ION, ...
Authors:Picard, M.-E, Grenier, J, Despres, P.C, Dube, A.K, Landry, C.R, Shi, R.
Deposit date:2024-01-11
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Compensatory mutations potentiate constructive neutral evolution by gene duplication
Science, 2024
8QXY
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BU of 8qxy by Molmil
Xylanase from Bacillus circulans mutant E78Q bound to xylotriose
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, GLYCEROL, ...
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-10-25
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
3L5X
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BU of 3l5x by Molmil
Crystal structure of the complex between IL-13 and H2L6 FAB
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, H2L6 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
8QY0
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BU of 8qy0 by Molmil
Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylotriose
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, ZINC ION, ...
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-10-25
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
8QY1
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BU of 8qy1 by Molmil
Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylohexaose
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ...
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-10-25
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
8QY3
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BU of 8qy3 by Molmil
Xylanase from Bacillus circulans mutant E78Q/F125A bound to xylotriose
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ...
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-10-25
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
2N6B
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BU of 2n6b by Molmil
NMR structure of the de-novo toxin Hui1
Descriptor: Hui1
Authors:Mendelman, N, Zhao, R, Goldstein, S.A.N, Chill, J.H.
Deposit date:2015-08-17
Release date:2015-12-16
Last modified:2015-12-30
Method:SOLUTION NMR
Cite:Designer and natural peptide toxin blockers of the KcsA potassium channel identified by phage display.
Proc.Natl.Acad.Sci.USA, 112, 2015
6FCA
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BU of 6fca by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ATP phosphoribosyltransferase
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-20
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
3LG7
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BU of 3lg7 by Molmil
Crystal structure of HIV epitope-scaffold 4E10_S0_1EZ3A_002_C
Descriptor: 4E10_S0_1EZ3A_002_C (T246), SULFATE ION
Authors:Holmes, M.A.
Deposit date:2010-01-19
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
1BK1
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BU of 1bk1 by Molmil
ENDO-1,4-BETA-XYLANASE C
Descriptor: ENDO-1,4-B-XYLANASE C
Authors:Fushinobu, S, Ito, K, Konno, M, Wakagi, T, Matsuzawa, H.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and mutational analyses of an extremely acidophilic and acid-stable xylanase: biased distribution of acidic residues and importance of Asp37 for catalysis at low pH.
Protein Eng., 11, 1998
1BZS
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BU of 1bzs by Molmil
CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909
Descriptor: 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Schreuder, H, Brachvogel, V, Loenze, P.
Deposit date:1998-11-04
Release date:2000-05-31
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Quantitative structure-activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure analysis.
J.Med.Chem., 42, 1999
6FCJ
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BU of 6fcj by Molmil
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Descriptor: 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Arxiv, 2019
6FCT
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BU of 6fct by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRPP and ATP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FCC
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BU of 6fcc by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT)
Descriptor: ATP phosphoribosyltransferase, L(+)-TARTARIC ACID
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-20
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
1C1E
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BU of 1c1e by Molmil
CRYSTAL STRUCTURE OF A DIELS-ALDERASE CATALYTIC ANTIBODY 1E9 IN COMPLEX WITH ITS HAPTEN
Descriptor: 1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE, CATALYTIC ANTIBODY 1E9 (HEAVY CHAIN), CATALYTIC ANTIBODY 1E9 (LIGHT CHAIN), ...
Authors:Xu, J, Wilson, I.A.
Deposit date:1999-07-22
Release date:2000-03-01
Last modified:2013-01-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolution of shape complementarity and catalytic efficiency from a primordial antibody template.
Science, 286, 1999
6FCW
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BU of 6fcw by Molmil
Catalytic subunit HisG from Psychrobacter arcticus ATP phosphoribosyltransferase (HisZG ATPPRT) in complex with PRATP
Descriptor: ATP phosphoribosyltransferase, MAGNESIUM ION, PHOSPHORIBOSYL ATP
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2017-12-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FHP
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BU of 6fhp by Molmil
DAIP in complex with a C-terminal fragment of thermolysin
Descriptor: Dispase autolysis-inducing protein, Thermolysin
Authors:Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
Deposit date:2018-01-15
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018

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