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2OFE
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BU of 2ofe by Molmil
The Crystal structure of Sclerotium rolfsii lectin in complex with N-acetyl-D-glucosamine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2007-01-03
Release date:2007-05-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for the Carbohydrate Recognition of the Sclerotium rolfsii Lectin
J.Mol.Biol., 368, 2007
8VIU
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BU of 8viu by Molmil
The DNA 16-mer sequence 5'-GCTGCGTTAACGCAGC-3' bound by a DB1992 stacked dimer
Descriptor: (2M)-2-[(5P)-5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]-1H-benzimidazole-6-carboximidamide, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*AP*GP*C)-3')
Authors:Terrell, J.R, Wilson, W.D.
Deposit date:2024-01-05
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Examination of DNA Minor Groove Binding by Diamidine Stacked Dimers
To Be Published
3ISM
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BU of 3ism by Molmil
Crystal structure of the EndoG/EndoGI complex: Mechanism of EndoG inhibition
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CG4930, CG8862, ...
Authors:Loll, B, Gebhardt, M, Wahle, E, Meinhart, A.
Deposit date:2009-08-26
Release date:2009-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the EndoG/EndoGI complex: mechanism of EndoG inhibition.
Nucleic Acids Res., 37, 2009
2OFD
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BU of 2ofd by Molmil
The Crystal Structure of Sclerotium rolfsii lectin in complex with N-acetyl-D-galactosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, ACETATE ION, Sclerotium rolfsii lectin
Authors:Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2007-01-03
Release date:2007-05-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Basis for the Carbohydrate Recognition of the Sclerotium rolfsii Lectin
J.Mol.Biol., 368, 2007
7A24
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BU of 7a24 by Molmil
Assembly intermediate of the plant mitochondrial complex I
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 13kDa, 15kDa, ...
Authors:Soufari, H, Waltz, F, Hashem, Y.
Deposit date:2020-08-16
Release date:2020-10-28
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Specific features and assembly of the plant mitochondrial complex I revealed by cryo-EM.
Nat Commun, 11, 2020
3I5P
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BU of 3i5p by Molmil
Nup170(aa979-1502), S.cerevisiae
Descriptor: Nucleoporin NUP170
Authors:Whittle, J.R.R, Schwartz, T.U.
Deposit date:2009-07-06
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Architectural nucleoporins Nup157/170 and Nup133 are structurally related and descend from a second ancestral element.
J.Biol.Chem., 284, 2009
6CA2
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BU of 6ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
8UVL
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BU of 8uvl by Molmil
Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site
Descriptor: 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A.
Deposit date:2023-11-03
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 67, 2024
2OFC
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BU of 2ofc by Molmil
The crystal structure of Sclerotium rolfsii lectin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2007-01-03
Release date:2007-05-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Structural Basis for the Carbohydrate Recognition of the Sclerotium rolfsii Lectin
J.Mol.Biol., 368, 2007
3H7H
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BU of 3h7h by Molmil
Crystal structure of the human transcription elongation factor DSIF, hSpt4/hSpt5 (176-273)
Descriptor: BETA-MERCAPTOETHANOL, Transcription elongation factor SPT4, Transcription elongation factor SPT5, ...
Authors:Wenzel, S, Wohrl, B.M, Rosch, P, Martins, B.M.
Deposit date:2009-04-27
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the human transcription elongation factor DSIF hSpt4 subunit in complex with the hSpt5 dimerization interface
Biochem.J., 425, 2010
8V9W
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BU of 8v9w by Molmil
X-ray crystal structure of JGFN4 complexed with fentanyl
Descriptor: 1,2-ETHANEDIOL, JGFN4, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Authors:Moller, N, Shi, K, Aihara, H.
Deposit date:2023-12-10
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Identification and biophysical characterization of a novel domain-swapped camelid antibody specific for fentanyl.
J.Biol.Chem., 300, 2024
5GHS
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BU of 5ghs by Molmil
DNA replication protein
Descriptor: Putative uncharacterized protein, SULFATE ION, SsDNA-specific exonuclease
Authors:Oyama, T.
Deposit date:2016-06-20
Release date:2016-10-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Atomic structure of an archaeal GAN suggests its dual roles as an exonuclease in DNA repair and a CMG component in DNA replication.
Nucleic Acids Res., 44, 2016
4KPY
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BU of 4kpy by Molmil
DNA binding protein and DNA complex structure
Descriptor: DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), ...
Authors:Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
Deposit date:2013-05-14
Release date:2014-01-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MEV
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BU of 4mev by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), Target EFI-510211, with bound malonate, space group I422
Descriptor: CITRIC ACID, MALONATE ION, TRAP dicarboxylate transporter-DctP subunit
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-27
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4LS5
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BU of 4ls5 by Molmil
Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Bacillus subtilis
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, GLYCEROL, POTASSIUM ION
Authors:Trajtenberg, F, Larrieux, N, Buschiazzo, A.
Deposit date:2013-07-22
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural insights into bacterial resistance to cerulenin.
Febs J., 281, 2014
1HGC
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BU of 1hgc by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURES AND COMPARISONS OF T STATE DEOXYHAEMOGLOBIN AND TWO LIGANDED T-STATE HAEMOGLOBINS: T(ALPHA-OXY)HAEMOGLOBIN AND T(MET)HAEMOGLOBIN
Descriptor: HEMOGLOBIN (DEOXY) (BETA CHAIN), HEMOGLOBIN (OXY) (ALPHA CHAIN), OXYGEN MOLECULE, ...
Authors:Liddington, R, Derewenda, Z, Dodson, E, Hubbard, R, Dodson, G.
Deposit date:1991-10-31
Release date:1994-01-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High resolution crystal structures and comparisons of T-state deoxyhaemoglobin and two liganded T-state haemoglobins: T(alpha-oxy)haemoglobin and T(met)haemoglobin.
J.Mol.Biol., 228, 1992
4LTE
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BU of 4lte by Molmil
Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor
Descriptor: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ...
Authors:Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R.
Deposit date:2013-07-23
Release date:2014-05-21
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones.
Nature, 511, 2014
4M5L
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BU of 4m5l by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one, CALCIUM ION, ...
Authors:Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.094 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
1GSW
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BU of 1gsw by Molmil
CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN G51S MUTANT
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L.
Deposit date:2002-01-09
Release date:2002-02-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants
J.Biol.Chem., 227, 2002
1GSX
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BU of 1gsx by Molmil
CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN G47S/G51S MUTANT
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L.
Deposit date:2002-01-09
Release date:2002-02-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Engineering Photocycle Dynamics: Crystal Structures and Kinetics of Three Photoactive Yellow Protein Hinge-Bending Mutants
J.Biol.Chem., 227, 2002
4M7Z
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BU of 4m7z by Molmil
Unliganded 1 crystal structure of S25-26 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H.
Deposit date:2013-08-12
Release date:2014-04-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
1GZN
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BU of 1gzn by Molmil
Structure of PKB kinase domain
Descriptor: RAC-BETA SERINE/THREONINE PROTEIN KINASE
Authors:Barford, D, Yang, J, Hemmings, B.A.
Deposit date:2002-05-24
Release date:2003-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Mechanism for the Regulation of Protein Kinase B/Akt by Hydrophobic Motif Phosphorylation
Mol.Cell, 9, 2002
1GZK
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BU of 1gzk by Molmil
Molecular mechanism for the regulation of protein kinase B/Akt by hydrophobic motif phosphorylation
Descriptor: RAC-BETA SERINE/THREONINE PROTEIN KINASE
Authors:Barford, D, Yang, J, Hemmings, B.A.
Deposit date:2002-05-23
Release date:2003-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Mechanism for the Regulation of Protein Kinase B/Akt by Hydrophobic Motif Phosphorylation
Mol.Cell, 9, 2002
1HEU
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BU of 1heu by Molmil
ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, CADMIUM ION, ...
Authors:Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S.
Deposit date:2000-11-26
Release date:2001-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:On the Enzymatic Activation of Nadh
J.Biol.Chem., 276, 2001
1GZP
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BU of 1gzp by Molmil
CD1b in complex with GM2 ganglioside
Descriptor: B2-MICROGLOBULIN, DOCOSANE, DODECANE, ...
Authors:Gadola, S.D, Zaccai, N.R, Harlos, K, Shepherd, D, Ritter, G, Schmidt, R.R, Jones, E.Y, Cerundolo, V.
Deposit date:2002-05-24
Release date:2002-07-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human CD1b with bound ligands at 2.3 A, a maze for alkyl chains.
Nat. Immunol., 3, 2002

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