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3GZE
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BU of 3gze by Molmil
Algal prolyl 4-hydroxylase complexed with zinc and (Ser-Pro)5 peptide substrate
Descriptor: ACETIC ACID, Peptide substrate (Ser-Pro)5, Predicted protein, ...
Authors:Koski, M.K, Wierenga, R.K.
Deposit date:2009-04-07
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Crystal Structure of an Algal Prolyl 4-Hydroxylase Complexed with a Proline-rich Peptide Reveals a Novel Buried Tripeptide Binding Motif
J.Biol.Chem., 284, 2009
3H0N
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BU of 3h0n by Molmil
Crystal structure of a duf1470 family protein (jann_2411) from jannaschia sp. ccs1 at 1.45 A resolution
Descriptor: ACETATE ION, GLYCEROL, NICKEL (II) ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-09
Release date:2009-04-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of Jann_2411 (DUF1470) from Jannaschia sp. at 1.45  resolution reveals a new fold (the ABATE domain) and suggests its possible role as a transcription regulator.
Acta Crystallogr.,Sect.F, 66, 2010
3H0S
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BU of 3h0s by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7
Descriptor: 1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.
Deposit date:2009-04-10
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3H1P
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BU of 3h1p by Molmil
Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
Descriptor: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
Authors:Witkowski, W.A, Hardy, J.A.
Deposit date:2009-04-13
Release date:2009-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:L2' loop is critical for caspase-7 active site formation.
Protein Sci., 18, 2009
3H1V
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BU of 3h1v by Molmil
Human glucokinase in complex with a synthetic activator
Descriptor: 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ...
Authors:Kamata, K, Takahashi, K.
Deposit date:2009-04-14
Release date:2009-10-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators.
Bioorg.Med.Chem., 17, 2009
3H12
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BU of 3h12 by Molmil
Crystal structure of putative mandelate racemase from Bordetella Bronchiseptica RB50
Descriptor: SODIUM ION, mandelate racemase
Authors:Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-04-10
Release date:2009-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of putative mandelate racemase from Bordetella Bronchiseptica RB50
To be Published
3H87
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BU of 3h87 by Molmil
Rv0301 Rv0300 Toxin Antitoxin Complex from Mycobacterium tuberculosis
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, IMIDAZOLE, ...
Authors:Min, A, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2009-04-28
Release date:2009-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The crystal structure of the Rv0301-Rv0300 VapBC-3 toxin-antitoxin complex from M. tuberculosis reveals a Mg(2+) ion in the active site and a putative RNA-binding site.
Protein Sci., 21, 2012
3H3S
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BU of 3h3s by Molmil
Crystal structure of the CERT START domain in complex with HPA-15
Descriptor: Goodpasture antigen binding protein, N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide
Authors:Kudo, N, Wakatsuki, S, Kato, R.
Deposit date:2009-04-17
Release date:2010-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structures of the CERT START domain with inhibitors provide insights into the mechanism of ceramide transfer.
J.Mol.Biol., 396, 2010
3H8F
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BU of 3h8f by Molmil
High pH native structure of leucine aminopeptidase from Pseudomonas putida
Descriptor: BICARBONATE ION, Cytosol aminopeptidase, MANGANESE (II) ION, ...
Authors:Kale, A, Dijkstra, B.W, Sonke, T, Thunnissen, A.M.W.H.
Deposit date:2009-04-29
Release date:2010-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the leucine aminopeptidase from Pseudomonas putida reveals the molecular basis for its enantioselectivity and broad substrate specificity.
J.Mol.Biol., 398, 2010
3H45
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BU of 3h45 by Molmil
Glycerol Kinase H232E with Ethylene Glycol
Descriptor: 1,2-ETHANEDIOL, Glycerol kinase, PHOSPHATE ION
Authors:Yeh, J.I, Kettering, R.D.
Deposit date:2009-04-17
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural characterizations of glycerol kinase: unraveling phosphorylation-induced long-range activation
Biochemistry, 48, 2009
3H99
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BU of 3h99 by Molmil
Structure of a mutant methionyl-tRNA synthetase with modified specificity complexed with methionine
Descriptor: CITRIC ACID, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Schmitt, E, Tanrikulu, I.C, Yoo, T.H, Panvert, M, Tirrell, D.A, Mechulam, Y.
Deposit date:2009-04-30
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Switching from an induced-fit to a lock-and-key mechanism in an aminoacyl-tRNA synthetase with modified specificity.
J.Mol.Biol., 394, 2009
3H5G
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BU of 3h5g by Molmil
Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Descriptor: ACETATE ION, COIL SER L16D-Pen, ZINC ION
Authors:Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2009-04-22
Release date:2009-07-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Angew.Chem.Int.Ed.Engl., 48, 2009
3GL4
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BU of 3gl4 by Molmil
X-ray structure of photobleached killerred
Descriptor: KillerRed
Authors:Pletnev, S, Pletneva, N.V, Pletnev, V.Z.
Deposit date:2009-03-11
Release date:2009-09-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for phototoxicity of the genetically encoded photosensitizer KillerRed.
J.Biol.Chem., 284, 2009
3GO7
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BU of 3go7 by Molmil
Crystal Structure of M. tuberculosis ribokinase (Rv2436) in complex with ribose
Descriptor: MAGNESIUM ION, RIBOKINASE RBSK, alpha-D-ribofuranose
Authors:Masters, E.I, Sun, Y, Wang, Y, Parker, W.B, Li, R.
Deposit date:2009-03-18
Release date:2010-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and biochemical characterization of M.tuberculosis ribokinase (Rv2436)
To be Published
3H91
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BU of 3h91 by Molmil
Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide
Descriptor: Chromobox protein homolog 2, H3K27 peptide
Authors:Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-04-29
Release date:2009-08-18
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3GP0
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BU of 3gp0 by Molmil
Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 11, ...
Authors:Filippakopoulos, P, Barr, A, Fedorov, O, Keates, T, Soundararajan, M, Elkins, J, Salah, E, Burgess-Brown, N, Ugochukwu, E, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-03-20
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
To be Published
3H97
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BU of 3h97 by Molmil
Structure of a mutant methionyl-tRNA synthetase with modified specificity
Descriptor: CITRIC ACID, Methionyl-tRNA synthetase, ZINC ION
Authors:Schmitt, E, Tanrikulu, I.C, Yoo, T.H, Panvert, M, Tirrell, D.A, Mechulam, Y.
Deposit date:2009-04-30
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Switching from an induced-fit to a lock-and-key mechanism in an aminoacyl-tRNA synthetase with modified specificity.
J.Mol.Biol., 394, 2009
3H9S
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BU of 3h9s by Molmil
The complex between TCR A6 and human Class I MHC HLA-A2 with the bound Tel1p peptide
Descriptor: A6 TCR alpha chain, Beta-2-microglobulin, GLYCEROL, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2009-04-30
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:T cell receptor cross-reactivity directed by antigen-dependent tuning of peptide-MHC molecular flexibility.
Immunity, 31, 2009
3GPO
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BU of 3gpo by Molmil
Crystal structure of macro domain of Chikungunya virus in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Malet, H, Jamal, S, Coutard, B, Canard, B.
Deposit date:2009-03-23
Release date:2009-07-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009
3GQ8
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BU of 3gq8 by Molmil
Crystal Structure of the Bacteriophage phi29 gene product 12 N-terminal fragment in complex with 2-(N-cyclohexylamino)ethane sulfonic acid (CHES)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2009-03-24
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic insights into the autocatalytic assembly mechanism of a bacteriophage tail spike.
Mol.Cell, 34, 2009
3GP1
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BU of 3gp1 by Molmil
MutM encountering an intrahelical 8-oxoguanine (oxoG) lesion in EC3-V222P complex
Descriptor: 5'-D(*AP*GP*GP*TP*AP*GP*AP*TP*CP*CP*GP*GP*AP*CP*GP*CP**C)-3', 5'-D(P*TP*GP*CP*GP*TP*CP*CP*(8OG)P*GP*AP*TP*CP*TP*AP*CP*C)-3', DNA glycosylase, ...
Authors:Spong, M.C, Qi, Y, Verdine, G.L.
Deposit date:2009-03-20
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme
Nature, 462, 2009
3HAN
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BU of 3han by Molmil
Crystal structure of bacteriorhodopsin mutant V49A crystallized from bicelles
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Joh, N.H, Yang, D, Bowie, J.U.
Deposit date:2009-05-02
Release date:2009-09-22
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Similar energetic contributions of packing in the core of membrane and water-soluble proteins.
J.Am.Chem.Soc., 131, 2009
3GQ0
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BU of 3gq0 by Molmil
The structure of the Caulobacter crescentus clpS protease adaptor protein - apo structure with no peptide
Descriptor: ATP-dependent Clp protease adapter protein clpS
Authors:Baker, T.A, Roman-Hernandez, G, Sauer, R.T, Grant, R.A.
Deposit date:2009-03-23
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.066 Å)
Cite:Molecular basis of substrate selection by the N-end rule adaptor protein ClpS.
Proc.Natl.Acad.Sci.USA, 106, 2009
3GQA
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BU of 3gqa by Molmil
Crystal Structure of the Bacteriophage phi29 gene product 12 N-terminal fragment in complex with cobalt ions
Descriptor: COBALT (II) ION, PHOSPHATE ION, Preneck appendage protein
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2009-03-24
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic insights into the autocatalytic assembly mechanism of a bacteriophage tail spike.
Mol.Cell, 34, 2009
3GR2
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BU of 3gr2 by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-24
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009

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