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3PRH
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BU of 3prh by Molmil
tryptophanyl-tRNA synthetase Val144Pro mutant from B. subtilis
Descriptor: Tryptophanyl-tRNA synthetase
Authors:Antonczak, A.K, Simova, Z, Yonemoto, I, Bochtler, M, Piasecka, A, Czapinska, H, Brancale, A, Tippmann, E.M.
Deposit date:2010-11-29
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Importance of single molecular determinants in the fidelity of expanded genetic codes.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PS7
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BU of 3ps7 by Molmil
Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Descriptor: Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL
Authors:Kaur, N, Gautam, A, Kumar, S, Singh, A, Singh, N, Sharma, S, Sharma, R, Tewari, R, Singh, T.P.
Deposit date:2010-12-01
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Int.J.Biol.Macromol., 48, 2011
3GZK
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BU of 3gzk by Molmil
Structure of A. Acidocaldarius Cellulase CelA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cellulase, ...
Authors:Morera, S, Eckert, K, Vigouroux, A.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of A. acidocaldarius endoglucanase Cel9A in complex with cello-oligosaccharides: strong -1 and -2 subsites mimic cellobiohydrolase activity
J.Mol.Biol., 394, 2009
2Y5L
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BU of 2y5l by Molmil
orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
Descriptor: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
Authors:ruf, a, hebeisen, p, haap, w, kuhn, b, mohr, p, wessel, h.p, zutter, u, kirchner, s, benz, j, joseph, c, alvarez-sanchez, r, gubler, m, schott, b, benardeau, a, tozzo, e, kitas, e.
Deposit date:2011-01-14
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
4MUA
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BU of 4mua by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase
Authors:Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T.
Deposit date:2013-09-21
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
3TUE
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BU of 3tue by Molmil
The structure of tryparedoxin peroxidase I from Leishmania major
Descriptor: Tryparedoxin peroxidase
Authors:Fiorillo, A, Ilari, A, Colotti, G.
Deposit date:2011-09-16
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structures of the tryparedoxin-tryparedoxin peroxidase couple unveil the structural determinants of leishmania detoxification pathway.
Plos Negl Trop Dis, 6, 2012
4N18
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BU of 4n18 by Molmil
Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase family protein from Klebsiella pneumoniae 342
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CITRIC ACID, D-isomer specific 2-hydroxyacid dehydrogenase family protein
Authors:Bacal, P, Shabalin, I.G, Cooper, D.R, Majorek, K.A, Osinski, T, Hillerich, B.S, Hammonds, J, Nawar, A, Stead, M, Chowdhury, S, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-10-03
Release date:2013-10-16
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase family protein from Klebsiella pneumoniae 342
To be Published
4NAL
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BU of 4nal by Molmil
Arabidopsis thaliana IspD in complex with tribromodichloro-pseudilin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ...
Authors:Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F.
Deposit date:2013-10-22
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
4OKC
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BU of 4okc by Molmil
Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis
Descriptor: LysM domain protein
Authors:Patra, D, Mishra, P, Surolia, A, Vijayan, M.
Deposit date:2014-01-22
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis.
Glycobiology, 24, 2014
2QKR
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BU of 2qkr by Molmil
Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with indirubin 3'-monoxime bound
Descriptor: (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, Cdc2-like CDK2/CDC28 like protein kinase
Authors:Wernimont, A.K, Dong, A, Lew, J, Lin, Y.H, Hassanali, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2007-07-11
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with indirubin 3'-monoxime bound.
To be Published
1ZKH
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BU of 1zkh by Molmil
Solution structure of a human ubiquitin-like domain in SF3A1
Descriptor: Splicing factor 3 subunit 1
Authors:Lukin, J.A, Dhe-Paganon, S, Guido, V, Lemak, A, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Sundstrom, M, Edwards, A, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2005-05-02
Release date:2005-05-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a human ubiquitin-like domain in SF3A1
To be Published
2YJA
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BU of 2yja by Molmil
Stapled Peptides binding to Estrogen Receptor alpha.
Descriptor: ESTRADIOL, ESTROGEN RECEPTOR, STAPLED PEPTIDE
Authors:Phillips, C, Roberts, L.R, Schade, M, Bazin, R, Bent, A, Davies, N.L, Irving, S.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Scott, A, Xu, B.
Deposit date:2011-05-19
Release date:2011-08-03
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design and Structure of Stapled Peptides Binding to Estrogen Receptors.
J.Am.Chem.Soc., 133, 2011
3OG4
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BU of 3og4 by Molmil
The crystal structure of human interferon lambda 1 complexed with its high affinity receptor in space group P21212
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin 28 receptor, alpha (Interferon, ...
Authors:Miknis, Z.J, Magracheva, E, Lei, W, Zdanov, A, Kotenko, S.V, Wlodawer, A.
Deposit date:2010-08-16
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of the complex of human interferon-lambda1 with its high affinity receptor interferon-lambdaR1.
J.Mol.Biol., 404, 2010
1LSQ
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BU of 1lsq by Molmil
RIBONUCLEASE A WITH ASN 67 REPLACED BY A BETA-ASPARTYL RESIDUE
Descriptor: RIBONUCLEASE A, SULFATE ION
Authors:Esposito, L, Sica, F, Vitagliano, L, Zagari, A, Mazzarella, L.
Deposit date:1996-06-25
Release date:1997-01-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deamidation in proteins: the crystal structure of bovine pancreatic ribonuclease with an isoaspartyl residue at position 67.
J.Mol.Biol., 257, 1996
2P3D
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BU of 2p3d by Molmil
Crystal Structure of the multi-drug resistant mutant subtype F HIV protease complexed with TL-3 inhibitor
Descriptor: Pol protein, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I.
Deposit date:2007-03-08
Release date:2007-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
3O80
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BU of 3o80 by Molmil
Crystal structure of monomeric KlHxk1 in crystal form IX (open state)
Descriptor: Hexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
Deposit date:2010-08-02
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
4OI2
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BU of 4oi2 by Molmil
C. Elegans Clp1 and ADP and Mg2+ (turnover state)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NONAETHYLENE GLYCOL, ...
Authors:Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A.
Deposit date:2014-01-18
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1.
Mol.Cell, 54, 2014
2YLR
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BU of 2ylr by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2YLT
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BU of 2ylt by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP and MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
3OG6
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BU of 3og6 by Molmil
The crystal structure of human interferon lambda 1 complexed with its high affinity receptor in space group P212121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Interleukin 28 receptor, ...
Authors:Miknis, Z.J, Magracheva, E, Lei, W, Zdanov, A, Kotenko, S.V, Wlodawer, A.
Deposit date:2010-08-16
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Crystal structure of the complex of human interferon-lambda1 with its high affinity receptor interferon-lambdaR1.
J.Mol.Biol., 404, 2010
2OWA
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BU of 2owa by Molmil
Crystal structure of putative GTPase activating protein for ADP ribosylation factor from Cryptosporidium parvum (cgd5_1040)
Descriptor: Arfgap-like finger domain containing protein, ZINC ION
Authors:Dong, A, Lew, J, Zhao, Y, Hassanali, A, Lin, L, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2007-02-15
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of putative GTPase activating protein for ADP ribosylation factor from Cryptosporidium parvum (cgd5_1040)
To be Published
3OET
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BU of 3oet by Molmil
D-Erythronate-4-Phosphate Dehydrogenase complexed with NAD
Descriptor: Erythronate-4-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Filippova, E.V, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Edwards, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-08-13
Release date:2010-08-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:D-Erythronate-4-Phosphate Dehydrogenase complexed with NAD
To be Published
3OD4
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BU of 3od4 by Molmil
Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:King, O.N.F, Bashford-Rogers, R, Maloney, D.J, Jadhav, A, Heightman, T.D, Simeonov, A, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2010-08-10
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
To be Published
2YBA
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BU of 2yba by Molmil
Crystal structure of Nurf55 in complex with histone H3
Descriptor: HISTONE H3, PROBABLE HISTONE-BINDING PROTEIN CAF1
Authors:Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
Deposit date:2011-03-02
Release date:2011-05-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks
Mol.Cell, 42, 2011
3QNY
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BU of 3qny by Molmil
Monoclinic form of human IgA1 Fab fragment, sharing same Fv as IgG
Descriptor: FAB FRAGMENT OF IMMUNOGLOBULIN A1 HEAVY CHAIN, FAB FRAGMENT OF IMMUNOGLOBULIN A1 LIGHT CHAIN, GLYCEROL
Authors:Trajtenberg, F, Correa, A, Buschiazzo, A.
Deposit date:2011-02-09
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013

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