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8XXM
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BU of 8xxm by Molmil
Cryo-EM structure of the human 40S ribosome with PDCD4 and eIF3G
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Ye, X, Huang, Z, Li, Y, Wang, M, Cheng, J.
Deposit date:2024-01-18
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Human tumor suppressor PDCD4 directly interacts with ribosomes to repress translation.
Cell Res., 2024
9EQ1
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BU of 9eq1 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
To Be Published
8XIF
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BU of 8xif by Molmil
The crystal structure of the AEP domain of VACV D5
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
Authors:Gan, J, Zhang, W.
Deposit date:2023-12-19
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 2024
9EWX
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BU of 9ewx by Molmil
Cryo-EM structure of the Pseudomonas aeruginosa PAO1 Type IV pilus
Descriptor: Pilin
Authors:Ochner, H, Boehning, J, Wang, Z, Tarafder, A, Caspy, I, Bharat, T.A.M.
Deposit date:2024-04-05
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structure of the Pseudomonas aeruginosa PAO1 Type-IV pilus
To Be Published
9EUN
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BU of 9eun by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM and m7GTP
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
8YX1
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BU of 8yx1 by Molmil
CD40 in complex with Bleselumab Fab
Descriptor: Bleselumab, heavy chain, light chain, ...
Authors:Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K.
Deposit date:2024-04-01
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of Human CD40 in complex with monoclonal antibodies, Dacetuzumab and Bleselumab
To Be Published
8YX9
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BU of 8yx9 by Molmil
CD40 in complex with Dacetuzumab Fab
Descriptor: Dacetuzumab, Heavy chain, light chain, ...
Authors:Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K.
Deposit date:2024-04-02
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Human CD40 in complex with monoclonal antibodies, Dacetuzumab and Bleselumab
To Be Published
4UR9
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BU of 4ur9 by Molmil
Structure of ligand bound glycosylhydrolase
Descriptor: 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ...
Authors:Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E.
Deposit date:2014-06-27
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase.
Angew.Chem.Int.Ed.Engl., 53, 2014
4X3R
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BU of 4x3r by Molmil
Avi-GCPII structure in complex with FITC-conjugated GCPII-specific inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tykvart, J, Konvalinka, J.
Deposit date:2014-12-01
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II.
J.Med.Chem., 58, 2015
4V43
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BU of 4v43 by Molmil
Structural and mechanistic basis for allostery in the bacterial chaperonin GroEL
Descriptor: GROEL PROTEIN
Authors:Wang, J.
Deposit date:2002-01-02
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:A GroEL/GroES complex structure revisited: the structure-based mechanism of ATP hydrolysis
To be Published
4W6E
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BU of 4w6e by Molmil
Human Tankyrase 1 with small molecule inhibitor
Descriptor: 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION
Authors:Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T.
Deposit date:2014-08-20
Release date:2015-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
4V69
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BU of 4v69 by Molmil
Ternary complex-bound E.coli 70S ribosome.
Descriptor: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J.
Deposit date:2008-12-11
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis
Proc.Natl.Acad.Sci.USA, 106, 2009
4XIM
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BU of 4xim by Molmil
PROTEIN ENGINEERING OF XYLOSE (GLUCOSE) ISOMERASE FROM ACTINOPLANES MISSOURIENSIS. 1. CRYSTALLOGRAPHY AND SITE-DIRECTED MUTAGENESIS OF METAL BINDING SITES
Descriptor: COBALT (II) ION, D-XYLOSE ISOMERASE
Authors:Janin, J.
Deposit date:1992-03-11
Release date:1993-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Protein engineering of xylose (glucose) isomerase from Actinoplanes missouriensis. 1. Crystallography and site-directed mutagenesis of metal binding sites.
Biochemistry, 31, 1992
4YHS
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BU of 4yhs by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BRADYRHIZOBIUM sp. BTAi1 (BBta_2440, TARGET EFI-511490) WITH BOUND BIS-TRIS
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Monosaccharide ABC transporter substrate-binding protein, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-02-27
Release date:2015-03-18
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BRADYRHIZOBIUM sp. BTAi1 (BBta_2440, TARGET EFI-511490) WITH BOUND BIS-TRIS
To be published
4YIC
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BU of 4yic by Molmil
CRYSTAL STRUCTURE OF A TRAP TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BORDETELLA BRONCHISEPTICA RB50 (BB0280, TARGET EFI-500035) WITH BOUND PICOLINIC ACID
Descriptor: ACETATE ION, CALCIUM ION, IMIDAZOLE, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-01
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CRYSTAL STRUCTURE OF A TRAP TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BORDETELLA BRONCHISEPTICA RB50 (BB0280, TARGET EFI-500035) WITH BOUND PICOLINIC ACID
To be published
4YQY
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BU of 4yqy by Molmil
Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form
Descriptor: MAGNESIUM ION, Putative Dehydrogenase
Authors:Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-13
Release date:2015-03-25
Method:X-RAY DIFFRACTION (1.381 Å)
Cite:Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028, TARGET EFI-513936) in its APO form
To be published
4YWH
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BU of 4ywh by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE
Descriptor: ABC TRANSPORTER SOLUTE BINDING PROTEIN, beta-D-xylopyranose
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-20
Release date:2015-04-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE
To be published
4YS6
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BU of 4ys6 by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE
Descriptor: CHLORIDE ION, Putative solute-binding component of ABC transporter, SODIUM ION, ...
Authors:Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-16
Release date:2015-04-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE
To be published
4YLE
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BU of 4yle by Molmil
Crystal structure of an ABC transpoter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose
Descriptor: Periplasmic binding protein/LacI transcriptional regulator, UNKNOWN LIGAND
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-05
Release date:2015-04-15
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of an ABC transporter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose
To be published
4YQZ
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BU of 4yqz by Molmil
Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form
Descriptor: CHLORIDE ION, Putative oxidoreductase
Authors:Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-13
Release date:2015-03-25
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form
To be published
4YO7
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BU of 4yo7 by Molmil
Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-11
Release date:2015-03-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
To be published
1DYW
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BU of 1dyw by Molmil
Biochemical and structural characterization of a divergent loop cyclophilin from Caenorhabditis elegans
Descriptor: CYCLOPHILIN 3
Authors:Dornan, J, Page, A.P, Taylor, P, Wu, S.Y, Winter, A.D, Husi, H, Walkinshaw, M.D.
Deposit date:2000-02-10
Release date:2000-06-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and Structural Characterization of a Divergent Loop Cyclophilin from Caenorhabditis Elegans
J.Biol.Chem., 274, 1999
1DY6
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BU of 1dy6 by Molmil
Structure of the imipenem-hydrolyzing beta-lactamase SME-1
Descriptor: CARBAPENEM-HYDROLYSING BETA-LACTAMASE SME-1
Authors:Sougakoff, W, L'Hermite, G, Billy, I, Guillet, V, Naas, T, Nordman, P, Jarlier, V, Delettre, J.
Deposit date:2000-01-27
Release date:2001-01-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure of the Imipenem-Hydrolyzing Class a Beta-Lactamase Sme-1 from Serratia Marcescens.
Acta Crystallogr.,Sect.D, 58, 2002
1DNA
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BU of 1dna by Molmil
D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M.
Deposit date:1998-06-25
Release date:1998-11-04
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
1E2B
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BU of 1e2b by Molmil
NMR STRUCTURE OF THE C10S MUTANT OF ENZYME IIB CELLOBIOSE OF THE PHOSPHOENOL-PYRUVATE DEPENDENT PHOSPHOTRANSFERASE SYSTEM OF ESCHERICHIA COLI, 17 STRUCTURES
Descriptor: ENZYME IIB-CELLOBIOSE
Authors:Ab, E, Schuurman-Wolters, G, Reizer, J, Saier, M.H, Dijkstra, K, Scheek, R.M, Robillard, G.T.
Deposit date:1996-11-15
Release date:1997-07-23
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The NMR side-chain assignments and solution structure of enzyme IIBcellobiose of the phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli.
Protein Sci., 6, 1997

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