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3V1A
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BU of 3v1a by Molmil
Crystal structure of de novo designed MID1-apo1
Descriptor: Computational design, MID1-apo1
Authors:Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
Deposit date:2011-12-09
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
7XFA
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BU of 7xfa by Molmil
Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor
Descriptor: (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3
Authors:Shukla, J, Raman, S, Ghosh, K.
Deposit date:2022-04-01
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3.
J.Med.Chem., 65, 2022
5NFK
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BU of 5nfk by Molmil
Crystal structure of YrbA from Sinorhizobium meliloti in complex with nickel.
Descriptor: LITHIUM ION, NICKEL (II) ION, YrbA
Authors:Roret, T, Didierjean, C.
Deposit date:2017-03-14
Release date:2018-10-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Sinorhizobium meliloti YrbA binds divalent metal cations using two conserved histidines.
Biosci.Rep., 40, 2020
8V56
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BU of 8v56 by Molmil
UIC-1 mutant - UIC-1-B5W
Descriptor: UIC-1-B5W
Authors:Heinz-Kunert, S.L.
Deposit date:2023-11-30
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
6SG6
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BU of 6sg6 by Molmil
Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-08-02
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
To Be Published
3JU4
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BU of 3ju4 by Molmil
Crystal Structure Analysis of EndosialidaseNF at 0.98 A Resolution
Descriptor: CHLORIDE ION, Endo-N-acetylneuraminidase, N-acetyl-beta-neuraminic acid, ...
Authors:Schulz, E.C, Neuman, P, Gerardy-Schahn, R, Sheldrick, G.M, Ficner, R.
Deposit date:2009-09-14
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structure analysis of endosialidase NF at 0.98 A resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3GGI
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BU of 3ggi by Molmil
Locating monovalent cations in one turn of G/C rich B-DNA
Descriptor: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION, THALLIUM (I) ION
Authors:Maehigashi, T, Moulaei, T, Watkins, D, Komeda, S, Williams, L.D.
Deposit date:2009-02-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Locating monovalent cations in one turn of G/C rich B-DNA
To be Published
3JUD
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BU of 3jud by Molmil
Human gamma-glutamylamine cyclotransferase, E82Q mutant
Descriptor: AIG2-like domain-containing protein 1, NITRATE ION
Authors:Oakley, A.J.
Deposit date:2009-09-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Identification and characterization of {gamma}-glutamylamine cyclotransferase: An enzyme responsible for {gamma}-glutamyl-{epsilon}-lysine catabolism
J.Biol.Chem., 285, 2010
5SY4
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BU of 5sy4 by Molmil
Atomic resolution structure of reduced E. coli YajL
Descriptor: Chaperone YajL, MAGNESIUM ION
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
7BCU
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BU of 7bcu by Molmil
The adduct of NAMI-A with Hen Egg White Lysozyme at 1.5 hours.
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, IMIDAZOLE, ...
Authors:Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
Deposit date:2020-12-21
Release date:2021-07-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
8QMJ
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BU of 8qmj by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124 soaked with hexa-mannuronic acid
Descriptor: Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid
Authors:Wilkens, C.
Deposit date:2023-09-22
Release date:2024-10-02
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124 soaked with with hexa-mannuronic acid
To Be Published
1GHG
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BU of 1ghg by Molmil
CRYSTAL STRUCTURE OF VANCOMYCIN AGLYCON
Descriptor: ACETIC ACID, DIMETHYL SULFOXIDE, VANCOMYCIN AGLYCON
Authors:Kaplan, J, Korty, B.D, Axelsen, P.H, Loll, P.J.
Deposit date:2000-12-13
Release date:2001-02-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:The Role of Sugar Residues in Molecular Recognition by Vancomycin
J.Med.Chem., 44, 2001
4A7U
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BU of 4a7u by Molmil
Structure of human I113T SOD1 complexed with adrenaline in the p21 space group.
Descriptor: ACETATE ION, COPPER (II) ION, L-EPINEPHRINE, ...
Authors:Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S.
Deposit date:2011-11-14
Release date:2012-11-28
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Ligand Binding and Aggregation of Pathogenic Sod1.
Nat.Commun., 4, 2013
1V0L
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BU of 1v0l by Molmil
Xylanase Xyn10A from Streptomyces lividans in complex with xylobio-isofagomine at pH 5.8
Descriptor: ENDO-1,4-BETA-XYLANASE A, PIPERIDINE-3,4-DIOL, beta-D-xylopyranose
Authors:Gloster, T.M, Williams, S.J, Roberts, S, Tarling, C.A, Wicki, J, Withers, S.G, Davies, G.J.
Deposit date:2004-03-31
Release date:2004-08-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic Resolution Analyses of the Binding of Xylobiose-Derived Deoxynojirimycin and Isofagomine to Xylanase Xyn10A
Chem.Commun.(Camb.), 16, 2004
3I5E
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BU of 3i5e by Molmil
Allosteric Modulation of DNA by Small Molecules
Descriptor: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G)-3', CALCIUM ION
Authors:Chenoweth, D.M, Dervan, P.B.
Deposit date:2009-07-05
Release date:2009-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Allosteric modulation of DNA by small molecules
Proc.Natl.Acad.Sci.USA, 106, 2009
8RBI
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BU of 8rbi by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124
Descriptor: Alginate lyase, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Wilkens, C.
Deposit date:2023-12-04
Release date:2024-01-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124
To Be Published
2PNE
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BU of 2pne by Molmil
Crystal Structure of the Snow Flea Antifreeze Protein
Descriptor: 6.5 kDa glycine-rich antifreeze protein
Authors:Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M.
Deposit date:2007-04-24
Release date:2008-04-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008
8RC7
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BU of 8rc7 by Molmil
The structure of membrane-active antibiotic cyclodecapeptide gramicidin S in complex with urea
Descriptor: Gramicidin S, UREA
Authors:Dodson, E.J.
Deposit date:2023-12-06
Release date:2024-03-06
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:The crystal structure of a hydrated gramicidin S urea complex
Nature, 275, 1978
5XJZ
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BU of 5xjz by Molmil
Structure of DNA1-Ag complex
Descriptor: DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE
Authors:Liu, H.H, Gan, J.H.
Deposit date:2017-05-04
Release date:2017-12-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
4F1U
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BU of 4f1u by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5
Descriptor: 1,2-ETHANEDIOL, HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, ...
Authors:Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E.
Deposit date:2012-05-07
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
3PSM
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BU of 3psm by Molmil
.98A crystal structure of a dimeric plant defensin SPE10
Descriptor: Defensin
Authors:Zhou, H, Song, X, Gong, W.
Deposit date:2010-12-01
Release date:2010-12-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:0.98A crystal structure of a dimeric plant defensin SPE10
To be Published
6TN1
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BU of 6tn1 by Molmil
Unliganded Crystal Structure of Recombinant GBA
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-12-05
Release date:2020-06-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
1TQG
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BU of 1tqg by Molmil
CheA phosphotransferase domain from Thermotoga maritima
Descriptor: Chemotaxis protein cheA
Authors:Quezada, C.M, Gradinaru, C, Simon, M.I, Bilwes, A.M, Crane, B.R.
Deposit date:2004-06-17
Release date:2004-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Helical Shifts Generate Two Distinct Conformers in the Atomic Resolution Structure of the CheA Phosphotransferase Domain from Thermotoga maritima.
J.Mol.Biol., 341, 2004
4HVU
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BU of 4hvu by Molmil
Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12
Descriptor: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2012-11-07
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
4HVW
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BU of 4hvw by Molmil
Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12
Descriptor: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2012-11-07
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013

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