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3O6J
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Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with hydroxyquinol
Descriptor: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, CHLORIDE ION, Chlorocatechol 1,2-dioxygenase, ...
Authors:Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L.
Deposit date:2010-07-29
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
2W5H
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BU of 2w5h by Molmil
Human Nek2 kinase Apo
Descriptor: SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Bayliss, R.
Deposit date:2008-12-10
Release date:2008-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Insights Into the Conformational Variability and Regulation of Human Nek2 Kinase.
J.Mol.Biol., 386, 2009
3O6O
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BU of 3o6o by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of an the inhibitor BIIB021
Descriptor: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein 83, PENTAETHYLENE GLYCOL
Authors:Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Li, Y, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P, Fairlamb, A.H, Ferguson, M.A.J, Thompson, S, MacKenzie, C, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2010-07-29
Release date:2010-08-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
3OBL
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BU of 3obl by Molmil
Crystal structure of the potent anti-HIV cyanobacterial lectin from Oscillatoria Agardhii
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Lectin
Authors:Koharudin, L.M.I, Furey, W, Gronenborn, A.M.
Deposit date:2010-08-06
Release date:2010-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Novel fold and carbohydrate specificity of the potent anti-HIV cyanobacterial lectin from Oscillatoria agardhii.
J.Biol.Chem., 286, 2011
2X06
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BU of 2x06 by Molmil
SULFOLACTATE DEHYDROGENASE FROM METHANOCALDOCOCCUS JANNASCHII
Descriptor: L-SULFOLACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D.
Deposit date:2009-12-07
Release date:2009-12-15
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Methanoarchaeal Sulfolactate Dehydrogenase: Prototype of a New Family of Nadh-Dependent Enzymes.
Embo J., 23, 2004
2X2U
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BU of 2x2u by Molmil
First two Cadherin-like domains from Human RET
Descriptor: 1,4-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET, ...
Authors:Kjaer, S, Hanrahan, S, Purkiss-Trew, A.G, Totty, N, McDonald, N.Q.
Deposit date:2010-01-15
Release date:2010-05-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mammal-restricted elements predispose human RET to folding impairment by HSCR mutations.
Nat. Struct. Mol. Biol., 17, 2010
3JQD
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BU of 3jqd by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX7)
Descriptor: 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3NY6
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BU of 3ny6 by Molmil
Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor V30
Descriptor: 2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide, Cholix toxin, GLYCEROL, ...
Authors:Merrill, A.R, Jorgensen, R.
Deposit date:2010-07-14
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Newly discovered and characterized antivirulence compounds inhibit bacterial mono-ADP-ribosyltransferase toxins.
Antimicrob.Agents Chemother., 55, 2011
3O26
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BU of 3o26 by Molmil
The structure of salutaridine reductase from Papaver somniferum.
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Salutaridine reductase
Authors:Higashi, Y, Kutchen, T.M, Smith, T.J.
Deposit date:2010-07-22
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The atomic structure of salutaridine reductase from the opium poppy Papaver somniferum.
J.Biol.Chem., 66, 2010
3K7P
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BU of 3k7p by Molmil
Structure of mutant of ribose 5-phosphate isomerase type B from Trypanosoma cruzi.
Descriptor: PHOSPHATE ION, Ribose 5-phosphate isomerase
Authors:Naworyta, A, Mowbray, S.L, Stern, A.L.
Deposit date:2009-10-13
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
Febs J., 278, 2011
3JQA
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BU of 3jqa by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-1,9-dihydro-6H-purine-6-thione (DX4)
Descriptor: 2-amino-1,9-dihydro-6H-purine-6-thione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
2WGT
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BU of 2wgt by Molmil
Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N-propaonyl-3,5-dideoxy-D- glycero-a-D-galacto-2-nonulopyranosylonic acid
Descriptor: 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION
Authors:Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M.
Deposit date:2009-04-27
Release date:2009-11-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
3J2J
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BU of 3j2j by Molmil
Empty coxsackievirus A9 capsid
Descriptor: Protein VP1, Protein VP2, Protein VP3
Authors:Shakeel, S, Seitsonen, J.J.T, Kajander, T, Laurinmaki, P, Hyypia, T, Susi, P, Butcher, S.J.
Deposit date:2012-10-04
Release date:2013-07-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9.54 Å)
Cite:Structural and functional analysis of coxsackievirus A9 integrin {alpha}v{beta}6 binding and uncoating.
J.Virol., 87, 2013
3NSP
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BU of 3nsp by Molmil
Crystal structure of tetrameric RXRalpha-LBD
Descriptor: Retinoid X receptor, alpha
Authors:Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
2WBV
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BU of 2wbv by Molmil
Canine adenovirus 2 fibre head in complex with sialic acid
Descriptor: FIBER PROTEIN, GLYCEROL, N-acetyl-alpha-neuraminic acid, ...
Authors:Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J.
Deposit date:2009-03-05
Release date:2009-03-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution.
Plos Pathog., 5, 2009
3JZR
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BU of 3jzr by Molmil
Human MDM2 liganded with a 12mer peptide inhibitor (pDI6W)
Descriptor: E3 ubiquitin-protein ligase Mdm2, pDI6W peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
2WBW
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BU of 2wbw by Molmil
Ad37 fibre head in complex with CAR D1 and sialic acid
Descriptor: CALCIUM ION, COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBER PROTEIN, ...
Authors:Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J.
Deposit date:2009-03-05
Release date:2009-03-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution.
Plos Pathog., 5, 2009
3JQ9
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BU of 3jq9 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (AX1)
Descriptor: 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQG
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BU of 3jqg by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine (AX6)
Descriptor: 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
2WD6
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BU of 2wd6 by Molmil
Crystal structure of the Variable Domain of the Streptococcus gordonii Surface Protein SspB
Descriptor: AGGLUTININ RECEPTOR, CALCIUM ION, GLYCEROL, ...
Authors:Forsgren, N, Persson, K.
Deposit date:2009-03-20
Release date:2009-07-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Variable Domain of the Streptococcus Gordonii Surface Protein Sspb.
Protein Sci., 18, 2009
3K7O
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BU of 3k7o by Molmil
Structure of type B ribose 5-phosphate isomerase from Trypanosoma cruzi
Descriptor: Ribose 5-phosphate isomerase
Authors:Naworyta, A, Mowbray, S.L, Stern, A.L.
Deposit date:2009-10-13
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
Febs J., 278, 2011
3K7S
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BU of 3k7s by Molmil
Complex of Trypanosoma cruzi ribose 5-phosphate isomerase type B with ribose 5-phosphate
Descriptor: 5-O-phosphono-D-ribose, Ribose 5-phosphate isomerase
Authors:Naworyta, A, Mowbray, S.L, Stern, A.L.
Deposit date:2009-10-13
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
Febs J., 278, 2011
3JCX
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BU of 3jcx by Molmil
Canine Parvovirus complexed with Fab E
Descriptor: Capsid protein 2, Fab E heavy chain, Fab E light chain
Authors:Organtini, L.J, Iketani, S, Huang, K, Ashley, R.E, Makhov, A.M, Conway, J.F, Parrish, C.R, Hafenstein, S.
Deposit date:2016-03-21
Release date:2016-07-20
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Near-Atomic Resolution Structure of a Highly Neutralizing Fab Bound to Canine Parvovirus.
J.Virol., 90, 2016
3JQB
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BU of 3jqb by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (DX6)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3NS9
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BU of 3ns9 by Molmil
Crystal structure of CDK2 in complex with inhibitor BS-194
Descriptor: (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol, Cell division protein kinase 2
Authors:Hazel, P, Freemont, P.S.
Deposit date:2010-07-01
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Novel Pyrazolo[1,5-a]pyrimidine Is a Potent Inhibitor of Cyclin-Dependent Protein Kinases 1, 2, and 9, Which Demonstrates Antitumor Effects in Human Tumor Xenografts Following Oral Administration.
J.Med.Chem., 53, 2010

223790

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