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6ARN
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BU of 6arn by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-methoxyphenyl beta-galactoside (OMPG)
Descriptor: 2-methoxyphenyl beta-D-galactopyranoside, Putative Fml fimbrial adhesin FmlD, SULFATE ION
Authors:Kalas, V, Hultgren, S.J.
Deposit date:2017-08-22
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
3RE7
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BU of 3re7 by Molmil
Copper (II) loaded Bullfrog Ferritin M chain
Descriptor: COPPER (II) ION, Ferritin, middle subunit
Authors:Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P.
Deposit date:2011-04-02
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
5A09
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BU of 5a09 by Molmil
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Descriptor: 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ...
Authors:vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
Deposit date:2015-04-17
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
5UEH
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BU of 5ueh by Molmil
Structure of GSTO1 covalently conjugated to quinolinic acid fluorosulfate
Descriptor: 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid, GLYCEROL, Glutathione S-transferase omega-1, ...
Authors:Mortenson, D.E, Wilson, I.A, Kelly, J.W.
Deposit date:2017-01-02
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:"Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
1JT5
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BU of 1jt5 by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 73 REPLACED BY VAL AND VAL 109 REPLACED BY LEU (L73V/V109L)
Descriptor: SULFATE ION, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-20
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
2NBT
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BU of 2nbt by Molmil
NEURONAL BUNGAROTOXIN, NMR, 10 STRUCTURES
Descriptor: NEURONAL BUNGAROTOXIN
Authors:Oswald, R.E, Sutcliffe, M.J, Bamberger, M, Loring, R.H, Braswell, E, Dobson, C.M.
Deposit date:1997-10-29
Release date:1998-03-11
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of neuronal bungarotoxin determined by two-dimensional NMR spectroscopy: calculation of tertiary structure using systematic homologous model building, dynamical simulated annealing, and restrained molecular dynamics.
Biochemistry, 31, 1992
3TWM
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BU of 3twm by Molmil
Crystal structure of Arabidopsis thaliana FPG
Descriptor: 5'-D(*AP*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*TP*GP*GP*TP*AP*GP*AP*CP*GP*TP*GP*GP*AP*CP*GP*C)-3', Formamidopyrimidine-DNA glycosylase 1
Authors:Duclos, S, Aller, P, Wallace, S.S, Doublie, S.
Deposit date:2011-09-22
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and biochemical studies of a plant formamidopyrimidine-DNA glycosylase reveal why eukaryotic Fpg glycosylases do not excise 8-oxoguanine.
Dna Repair, 11, 2012
3W13
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BU of 3w13 by Molmil
Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alphact peptide(693-719) and FAB 83-7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
Authors:Lawrence, M.C, Smith, B.J, Brzozowski, A.M.
Deposit date:2012-11-06
Release date:2013-01-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.303 Å)
Cite:How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
1JT4
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BU of 1jt4 by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND VAL 109 REPLACED BY LEU (V109L)
Descriptor: FORMIC ACID, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-20
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
1JT7
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BU of 1jt7 by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 44 REPLACED BY PHE AND LEU 73 REPLACED BY VAL AND VAL 109 REPLACED BY LEU (L44F/L73V/V109L)
Descriptor: FORMIC ACID, SULFATE ION, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-20
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
3RBC
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BU of 3rbc by Molmil
Bullfrog M ferritin with iron(III) bound to the ferroxidase site
Descriptor: FE (III) ION, Ferritin, middle subunit
Authors:Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P.
Deposit date:2011-03-29
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
1HZW
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BU of 1hzw by Molmil
CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Almog, R, Waddling, C.A, Maley, F, Maley, G.F, Van Roey, P.
Deposit date:2001-01-26
Release date:2001-05-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a deletion mutant of human thymidylate synthase Delta (7-29) and its ternary complex with Tomudex and dUMP.
Protein Sci., 10, 2001
2YGE
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BU of 2yge by Molmil
E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL
Authors:Roe, M, Prodromou, C, Pearl, L.H.
Deposit date:2011-04-14
Release date:2011-11-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.956 Å)
Cite:Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
4E2R
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BU of 4e2r by Molmil
Interactions of Ba2+ with a non-self-complementary Z-type DNA duplex
Descriptor: BARIUM ION, DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3')
Authors:Mandal, P.K, Venkadesh, S, Gautham, N.
Deposit date:2012-03-09
Release date:2013-03-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Interactions of Ba2+ with a non-self-complementary Z-type DNA duplex
To be Published
4HQV
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BU of 4hqv by Molmil
tRNA-guanine transglycosylase Y106F, C158V, V233G mutant in complex with queuine
Descriptor: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G.
Deposit date:2012-10-26
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
3W12
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BU of 3w12 by Molmil
Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alpha-CT peptide(704-719) and FAB 83-7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
Authors:Lawrence, M.C, Smith, B.J, Brzozowsk, A.M.
Deposit date:2012-11-06
Release date:2013-01-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.301 Å)
Cite:How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
4GY0
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BU of 4gy0 by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase
Descriptor: ZINC ION, arylesterase variant of phosphotriesterase
Authors:Jackson, C.J, Tokuriki, N, Tawfik, D.S.
Deposit date:2012-09-05
Release date:2013-08-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
1JTC
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BU of 1jtc by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 44 REPLACED BY PHE (L44F)
Descriptor: FORMIC ACID, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-20
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
3ROC
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BU of 3roc by Molmil
Crystal structure of human p38 alpha complexed with a pyrimidinone compound
Descriptor: 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide, 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Shieh, H.-S, Xing, L.
Deposit date:2011-04-25
Release date:2011-06-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
1JT3
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BU of 1jt3 by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Histidine Tag AND LEU 73 REPLACED BY VAL (L73V)
Descriptor: SULFATE ION, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-20
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
1JQZ
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BU of 1jqz by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag.
Descriptor: FORMIC ACID, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-09
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
2HIG
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BU of 2hig by Molmil
Crystal Structure of Phosphofructokinase apoenzyme from Trypanosoma brucei.
Descriptor: 6-phospho-1-fructokinase, SODIUM ION
Authors:Martinez-Oyanedel, J, McNae, I.W, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2006-06-29
Release date:2007-02-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The First Crystal Structure of Phosphofructokinase from a Eukaryote: Trypanosoma brucei.
J.Mol.Biol., 366, 2007
2DC1
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BU of 2dc1 by Molmil
Crystal Structure Of L-Aspartate Dehydrogenase From Hyperthermophilic Archaeon Archaeoglobus fulgidus
Descriptor: CITRIC ACID, L-aspartate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yoneda, K, Sakuraba, H, Tsuge, H, Ohshima, T.
Deposit date:2005-12-19
Release date:2006-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of archaeal highly thermostable L-aspartate dehydrogenase/NAD/citrate ternary complex.
Febs J., 274, 2007
6DPZ
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BU of 6dpz by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
Descriptor: (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid, Beta-lactamase
Authors:Singh, I.
Deposit date:2018-06-09
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6X46
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BU of 6x46 by Molmil
NMR solution structure of Asterix/Gtsf1 from mouse (CHHC zinc finger domains)
Descriptor: Gametocyte-specific factor 1, ZINC ION
Authors:Ipsaro, J.J, O'Brien, P.A, Bhattacharya, S, Palmer III, A.G, Joshua-Tor, L.
Deposit date:2020-05-22
Release date:2021-03-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Asterix/Gtsf1 links tRNAs and piRNA silencing of retrotransposons.
Cell Rep, 34, 2021

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