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2WK1
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BU of 2wk1 by Molmil
Structure of the O-methyltransferase NovP
Descriptor: 1,2-ETHANEDIOL, NOVP, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Gomez Garcia, I, Stevenson, C.E.M, Uson, I, Freel Meyers, C.L, Walsh, C.T, Lawson, D.M.
Deposit date:2009-06-03
Release date:2009-12-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Crystal Structure of the Novobiocin Biosynthetic Enzyme Novp: The First Representative Structure for the Tylf O-Methyltransferase Superfamily.
J.Mol.Biol., 395, 2010
3QNE
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BU of 3qne by Molmil
Candida albicans seryl-tRNA synthetase
Descriptor: Seryl-tRNA synthetase, cytoplasmic
Authors:Rocha, R, Santos, M.A, Pereira, P.J.B, Macedo-Ribeiro, S.
Deposit date:2011-02-08
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unveiling the structural basis for translational ambiguity tolerance in a human fungal pathogen.
Proc.Natl.Acad.Sci.USA, 108, 2011
4JE6
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BU of 4je6 by Molmil
Crystal structure of a human-like mitochondrial peptide deformylase
Descriptor: Peptide deformylase 1A, chloroplastic/mitochondrial, ZINC ION
Authors:Fieulaine, S, Meinnel, T, Giglione, C.
Deposit date:2013-02-26
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding the highly efficient catalysis of prokaryotic peptide deformylases by shedding light on the determinants specifying the low activity of the human counterpart.
Acta Crystallogr.,Sect.D, 70, 2014
4R4X
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BU of 4r4x by Molmil
Structure of PNGF-II in C2 space group
Descriptor: PNGF-II, ZINC ION
Authors:Sun, G, Yu, X, Celimuge, Wang, L, Li, M, Gan, J, Qu, D, Ma, J, Chen, L.
Deposit date:2014-08-20
Release date:2015-01-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Characterization of a Novel Prokaryotic Peptide: N-glycosidase from Elizabethkingia meningoseptica
J.Biol.Chem., 2015
4JAQ
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BU of 4jaq by Molmil
Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones
Descriptor: 3,5-dioxoicosanoic acid, Alpha-pyrone synthesis polyketide synthase-like Pks11, COENZYME A, ...
Authors:Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2013-02-19
Release date:2013-04-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones.
J.Biol.Chem., 288, 2013
2XQ5
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BU of 2xq5 by Molmil
Pentameric ligand gated ion channel GLIC in complex with tetraethylarsonium (TEAs)
Descriptor: ARSENIC, GLR4197 PROTEIN
Authors:Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R.
Deposit date:2010-09-01
Release date:2010-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
2XOL
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BU of 2xol by Molmil
High resolution structure of TtrD from Archaeoglobus fulgidus
Descriptor: 1,2-ETHANEDIOL, CHAPERONE PROTEIN TTRD
Authors:Dawson, A, Coulthurst, S.J, Sargent, F, Hunter, W.N.
Deposit date:2010-08-18
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Conserved Signal Peptide Recognition Systems Across the Prokaryotic Domains.
Biochemistry, 51, 2012
4JD3
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BU of 4jd3 by Molmil
Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones
Descriptor: Alpha-pyrone synthesis polyketide synthase-like Pks11, COENZYME A, PALMITIC ACID
Authors:Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2013-02-22
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones.
J.Biol.Chem., 288, 2013
3Q9U
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BU of 3q9u by Molmil
In silico and in vitro co-evolution of a high affinity complementary protein-protein interface
Descriptor: COENZYME A, CoA binding protein, consensus ankyrin repeat
Authors:Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC)
Deposit date:2011-01-10
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
1OAP
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BU of 1oap by Molmil
Mad structure of the periplasmique domain of the Escherichia coli PAL protein
Descriptor: PEPTIDOGLYCAN-ASSOCIATED LIPOPROTEIN, SULFATE ION
Authors:Abergel, C, Walburger, A, Bouveret, E, Claverie, J.M.
Deposit date:2003-01-20
Release date:2004-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystallization and preliminary crystallographic study of the peptidoglycan-associated lipoprotein from Escherichia coli.
Acta Crystallogr.,Sect.D, 57, 2001
4PFC
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BU of 4pfc by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
Descriptor: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
Authors:Wang, Y, Guo, S.
Deposit date:2014-04-28
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
3PWB
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BU of 3pwb by Molmil
Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
Deposit date:2010-12-08
Release date:2011-12-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
3Q0G
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BU of 3q0g by Molmil
Crystal Structure of the Mycobacterium tuberculosis Crotonase Bound to a Reaction Intermediate Derived from Crotonyl CoA
Descriptor: Butyryl Coenzyme A, COENZYME A, GLYCEROL, ...
Authors:Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-12-15
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of the Prokaryotic Crotonase
To be Published
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
2W5A
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BU of 2w5a by Molmil
Human Nek2 kinase ADP-bound
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Westwood, I, Bayliss, R.
Deposit date:2008-12-08
Release date:2008-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights Into the Conformational Variability and Regulation of Human Nek2 Kinase.
J.Mol.Biol., 386, 2009
2XQ7
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BU of 2xq7 by Molmil
Pentameric ligand gated ion channel GLIC in complex with cadmium ion (Cd2+)
Descriptor: CADMIUM ION, GLR4197 PROTEIN
Authors:Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R.
Deposit date:2010-09-01
Release date:2010-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
1WPV
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BU of 1wpv by Molmil
Crystal Structure of Activated Binary complex of HutP, an RNA binding anti-termination protein
Descriptor: HISTIDINE, Hut operon positive regulatory protein, MAGNESIUM ION
Authors:Kumarevel, T.S, Mizuno, H, Kumar, P.K.R.
Deposit date:2004-09-14
Release date:2005-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of HutP-mediated anti-termination and roles of the Mg2+ ion and L-histidine ligand.
Nature, 434, 2005
3PLK
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BU of 3plk by Molmil
Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T.
Deposit date:2010-11-15
Release date:2011-12-07
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
2XQ3
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BU of 2xq3 by Molmil
Pentameric ligand gated ion channel GLIC in complex with Br-lidocaine
Descriptor: BROMIDE ION, GLR4197 PROTEIN
Authors:Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R.
Deposit date:2010-09-01
Release date:2010-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
2XBD
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BU of 2xbd by Molmil
INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI XYLANASE D, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: XYLANASE D
Authors:Simpson, P.J, Bolam, D.N, Cooper, A, Ciruela, A, Hazlewood, G.P, Gilbert, H.J, Williamson, M.P.
Deposit date:1998-10-27
Release date:1999-07-21
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:A family IIb xylan-binding domain has a similar secondary structure to a homologous family IIa cellulose-binding domain but different ligand specificity.
Structure Fold.Des., 7, 1999
3PLB
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BU of 3plb by Molmil
Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
Deposit date:2010-11-15
Release date:2011-12-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
3PLP
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BU of 3plp by Molmil
Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor
Descriptor: 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Cationic trypsin, ...
Authors:Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T.
Deposit date:2010-11-15
Release date:2011-12-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
4RFN
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BU of 4rfn by Molmil
Crystal structure of ADCC-potent Rhesus macaque ANTIBODY JR4 in complex with HIV-1 CLADE A/E GP120 and M48
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB HEAVY CHAIN OF ADCC ANTI-HIV-1 ANTIBODY JR4, FAB LIGHT CHAIN OF ADCC ANTI-HIV-1 ANTIBODY JR4, ...
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2014-09-26
Release date:2015-07-15
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Cocrystal Structures of Antibody N60-i3 and Antibody JR4 in Complex with gp120 Define More Cluster A Epitopes Involved in Effective Antibody-Dependent Effector Function against HIV-1.
J.Virol., 89, 2015
4JAT
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BU of 4jat by Molmil
Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones
Descriptor: Alpha-pyrone synthesis polyketide synthase-like Pks11, PALMITIC ACID
Authors:Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2013-02-19
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones.
J.Biol.Chem., 288, 2013
4JE8
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BU of 4je8 by Molmil
Crystal structure of a human-like mitochondrial peptide deformylase in complex with Met-Ala-Ser
Descriptor: Peptide deformylase 1A, chloroplastic/mitochondrial, ZINC ION, ...
Authors:Fieulaine, S, Meinnel, T, Giglione, C.
Deposit date:2013-02-26
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Understanding the highly efficient catalysis of prokaryotic peptide deformylases by shedding light on the determinants specifying the low activity of the human counterpart.
Acta Crystallogr.,Sect.D, 70, 2014

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