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1OMJ
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BU of 1omj by Molmil
CRYSTAL STRUCTURE OF A PSYCHROPHILIC ALKALINE PROTEASE FROM PSEUDOMONAS TAC II 18
Descriptor: CALCIUM ION, SERRALYSIN, SULFATE ION, ...
Authors:Ravaud, S, Gouet, P, Haser, R, Aghajari, N.
Deposit date:2003-02-25
Release date:2003-07-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Probing the role of divalent metal ions in a bacterial psychrophilic metalloprotease: binding studies of an enzyme in the crystalline state by x-ray crystallography.
J.Bacteriol., 185, 2003
5HHC
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BU of 5hhc by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {RFX037 plus VEGF-A} Protein Complex in space group P21/n
Descriptor: D- Vascular endothelial growth factor-A, GLYCEROL, Vascular endothelial growth factor A
Authors:Uppalapati, M, Lee, D.J, Mandal, K, Kent, S.B.H, Sidhu, S.
Deposit date:2016-01-10
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent d-Protein Antagonist of VEGF-A is Nonimmunogenic, Metabolically Stable, and Longer-Circulating in Vivo.
Acs Chem.Biol., 11, 2016
5HHH
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BU of 5hhh by Molmil
Structure of human DNA polymerase beta Host-Guest complexed with the control G for N7-CBZ-platination
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*AP*GP*GP*AP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2016-01-11
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.363 Å)
Cite:Synthesis, structure, and biological evaluation of a platinum-carbazole conjugate.
Chem Biol Drug Des, 91, 2018
5HGN
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BU of 5hgn by Molmil
Hexameric HIV-1 CA, apo form
Descriptor: Capsid protein P24
Authors:Jacques, D.A, Price, A.J, James, D.A.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
5T4E
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BU of 5t4e by Molmil
Human DPP4 in complex with ligand 19a
Descriptor: 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2016-08-29
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors.
Bioorg.Med.Chem., 24, 2016
1OQ9
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BU of 1oq9 by Molmil
The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acetate.
Descriptor: ACETATE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION
Authors:Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates
J.Biol.Chem., 278, 2003
1OV7
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BU of 1ov7 by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol
Descriptor: 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2003-03-25
Release date:2004-04-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
5HIS
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BU of 5his by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid
Descriptor: 3-methylthiophene-2-carboxylic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
3HZX
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BU of 3hzx by Molmil
Crystal Structure of Staphylococcal nuclease variant D+PHS/V66K at pH 9 determined at 100 K
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Schlessman, J.L, De Luca-Westrate, J.N, Garcia-Moreno, B.E.
Deposit date:2009-06-24
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Staphylococcal nuclease D+PHS/V66K reveals internal hydration in protein cavity
To be Published
1PKL
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BU of 1pkl by Molmil
THE STRUCTURE OF LEISHMANIA PYRUVATE KINASE
Descriptor: PROTEIN (PYRUVATE KINASE), SULFATE ION
Authors:Rigden, D.J, Phillips, S.E.V, Michels, P.A.M, Fothergill-Gilmore, L.A.
Deposit date:1998-09-15
Release date:1998-09-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structure of pyruvate kinase from Leishmania mexicana reveals details of the allosteric transition and unusual effector specificity.
J.Mol.Biol., 291, 1999
5T8W
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BU of 5t8w by Molmil
Cytochrome c - calixarene free
Descriptor: CHLORIDE ION, Cyc1p, HEME C
Authors:Doolan, A.M, Rennie, M.L, Crowley, P.B.
Deposit date:2016-09-08
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein Recognition by Functionalized Sulfonatocalix[4]arenes.
Chemistry, 24, 2018
1PN0
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BU of 1pn0 by Molmil
Phenol hydroxylase from Trichosporon cutaneum
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHENOL, ...
Authors:Enroth, C.
Deposit date:2003-06-12
Release date:2003-09-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution structure of phenol hydroxylase and correction of sequence errors.
Acta Crystallogr.,Sect.D, 59, 2003
2NS8
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BU of 2ns8 by Molmil
How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET repressor
Descriptor: 16 residue peptide Tip (Transcription inducing peptide), Tetracycline repressor protein
Authors:Luckner, S.R, Klotzsche, M, Berens, C, Hillen, W, Muller, Y.A.
Deposit date:2006-11-03
Release date:2007-07-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:How an agonist peptide mimics the antibiotic tetracycline to induce Tet-repressor
J.Mol.Biol., 368, 2007
3HS9
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BU of 3hs9 by Molmil
Intersectin 1-peptide-AP2 beta ear complex
Descriptor: AP-2 complex subunit beta-1, peptide from Intersectin-1, residues 841-851
Authors:Vahedi-Faridi, A, Pechstein, A, Schaefer, J.G, Saenger, W, Haucke, V.
Deposit date:2009-06-10
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Regulation of synaptic vesicle recycling by complex formation between intersectin 1 and the clathrin adaptor complex AP2.
Proc.Natl.Acad.Sci.USA, 107, 2010
3I09
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BU of 3i09 by Molmil
CRYSTAL STRUCTURE OF A PERIPLASMIC BINDING PROTEIN (BMA2936) FROM BURKHOLDERIA MALLEI AT 1.80 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, ACETOACETIC ACID, CITRIC ACID, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-06-24
Release date:2009-07-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Periplasmic Binding Protein BMA293 (YP_104442.1) from Burkholderia mallei ATCC 23344 at 1.80 A resolution
To be published
3B97
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BU of 3b97 by Molmil
Crystal Structure of human Enolase 1
Descriptor: Alpha-enolase, MAGNESIUM ION, SULFATE ION
Authors:Kang, H.J, Jung, S.K, Kim, S.J, Chung, S.J.
Deposit date:2007-11-02
Release date:2008-09-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human alpha-enolase (hENO1), a multifunctional glycolytic enzyme.
Acta Crystallogr.,Sect.D, 64, 2008
3BA1
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BU of 3ba1 by Molmil
Structure of hydroxyphenylpyruvate reductase from coleus blumei
Descriptor: Hydroxyphenylpyruvate reductase
Authors:Janiak, V, Klebe, G, Petersen, M, Heine, A.
Deposit date:2007-11-07
Release date:2008-11-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth.
Acta Crystallogr.,Sect.D, 66, 2010
5HLN
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BU of 5hln by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ...
Authors:White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
Deposit date:2016-01-15
Release date:2016-05-25
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
1PV4
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BU of 1pv4 by Molmil
X-ray crystal structure of the Rho transcription termination factor in complex with single stranded DNA
Descriptor: 5'-D(P*CP*C)-3', Transcription termination factor rho
Authors:Skordalakes, E, Berger, J.M.
Deposit date:2003-06-26
Release date:2003-07-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Rho transcription terminator: mechanism of mRNA recognition and helicase loading
Cell(Cambridge,Mass.), 114, 2003
1PVZ
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BU of 1pvz by Molmil
Solution Structure of BmP07, A Novel Potassium Channel Blocker from Scorpion Buthus martensi Karsch, 15 structures
Descriptor: K+ toxin-like peptide
Authors:Wu, H, Zhang, N, Wang, Y, Zhang, Q, Ou, L, Li, M, Hu, G.
Deposit date:2003-06-29
Release date:2004-05-18
Last modified:2018-06-20
Method:SOLUTION NMR
Cite:Solution structure of BmKK2, a new potassium channel blocker from the venom of chinese scorpion Buthus martensi Karsch
PROTEINS, 55, 2004
3BFU
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BU of 3bfu by Molmil
Structure of the ligand-binding core of GluR2 in complex with the agonist (R)-TDPA at 1.95 A resolution
Descriptor: (2R)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid, Glutamate receptor 2
Authors:Beich-Frandsen, M, Mirza, O, Vestergaard, B, Gajhede, M, Kastrup, J.S.
Deposit date:2007-11-23
Release date:2008-10-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
J.Med.Chem., 51, 2008
3ING
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BU of 3ing by Molmil
Crystal structure of Homoserine dehydrogenase (NP_394635.1) from THERMOPLASMA ACIDOPHILUM at 1.95 A resolution
Descriptor: 1,2-ETHANEDIOL, Homoserine dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-08-12
Release date:2009-09-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Homoserine dehydrogenase (NP_394635.1) from THERMOPLASMA ACIDOPHILUM at 1.95 A resolution
To be published
5HMQ
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BU of 5hmq by Molmil
xylose isomerase-like TIM barrel/4-hydroxyphenylpyruvate dioxygenase fusion protein
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, MAGNESIUM ION
Authors:Peek, J, Christendat, D.
Deposit date:2016-01-16
Release date:2016-10-19
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.371 Å)
Cite:Structure of a putative xylose isomerase-like TIM barrel/4-hydroxyphenylpyruvate dioxygenase fusion protein from Pseudomonas putida at 2.4 Angstroms resolution.
To Be Published
3IOH
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BU of 3ioh by Molmil
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A)
Descriptor: GLYCEROL, Histo-blood group ABO system transferase
Authors:Pesnot, T, Jorgensen, R, Palcic, M.M, Wagner, G.K.
Deposit date:2009-08-14
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural and mechanistic basis for a new mode of glycosyltransferase inhibition.
Nat.Chem.Biol., 6, 2010
1PYN
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BU of 1pyn by Molmil
DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE
Descriptor: 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Zhonghua, P, Lubben, T, Trevillyan, J.M, Stashko, M, Ballaron, S.J, Liang, H.
Deposit date:2003-07-09
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Bioorg.Med.Chem.Lett., 13, 2003

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