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4ET0
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BU of 4et0 by Molmil
Crystal structure of circularly permuted human asparaginase-like protein 1
Descriptor: L-asparaginase, SODIUM ION
Authors:Li, W.Z, Yogesha, S.D, Zhang, Y.
Deposit date:2012-04-23
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Uncoupling Intramolecular Processing and Substrate Hydrolysis in the N-Terminal Nucleophile Hydrolase hASRGL1 by Circular Permutation.
Acs Chem.Biol., 7, 2012
4LKL
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BU of 4lkl by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-55
Descriptor: ADAMANTANE, PL-55, Serine/threonine-protein kinase PLK1
Authors:Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2013-07-08
Release date:2013-12-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1
Plos One, 8, 2013
3GCV
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BU of 3gcv by Molmil
Human P38 MAP Kinase in Complex with RL62
Descriptor: 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3QNB
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BU of 3qnb by Molmil
Crystal Structure of an Engineered OXA-10 Variant with Carbapenemase Activity, OXA-10loop24
Descriptor: 1,2-ETHANEDIOL, Oxacillinase, SULFATE ION
Authors:De Luca, F, Benvenuti, M, Carboni, F, Pozzi, C, Rossolini, G.M, Mangani, S, Docquier, J.D.
Deposit date:2011-02-08
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution to carbapenem-hydrolyzing activity in noncarbapenemase class D {beta}-lactamase OXA-10 by rational protein design.
Proc.Natl.Acad.Sci.USA, 108, 2011
4C08
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BU of 4c08 by Molmil
Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with CaCl2 at 1.34 Angstroms
Descriptor: CALCIUM ION, PENTAETHYLENE GLYCOL, PROTEIN ARGININE N-METHYLTRANSFERASE 6
Authors:Bonnefond, L, Cura, V, Troffer-Charlier, N, Mailliot, J, Wurtz, J.M, Cavarelli, J.
Deposit date:2013-07-31
Release date:2014-07-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.338 Å)
Cite:Functional Insights from High Resolution Structures of Mouse Protein Arginine Methyltransferase 6.
J.Struct.Biol., 191, 2015
4ECZ
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BU of 4ecz by Molmil
Human DNA polymerase eta - DNA ternary complex: AT crystal at pH 6.5 (Na+ MES) with 1 Ca2+ ion
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Nakamura, T, Zhao, Y, Yang, W.
Deposit date:2012-03-26
Release date:2012-07-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.834 Å)
Cite:Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
4ED9
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BU of 4ed9 by Molmil
Crystal structure of a CAIB/BAIF family protein from Brucella suis
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CAIB/BAIF family protein, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-27
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a CAIB/BAIF family protein from Brucella suis
To be Published
4EE8
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BU of 4ee8 by Molmil
Crystal structure of the Novel Phenazine Prenyltransferase EpzP (wildtype)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CHLORIDE ION, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2012-03-28
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-based engineering increased the catalytic turnover rate of a novel phenazine prenyltransferase.
Plos One, 7, 2012
1MPX
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BU of 1mpx by Molmil
ALPHA-AMINO ACID ESTER HYDROLASE LABELED WITH SELENOMETHIONINE
Descriptor: CALCIUM ION, GLYCEROL, alpha-amino acid ester hydrolase
Authors:Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Hensgens, C.M.H, de Vries, E.J, Janssen, D.B, Dijkstra, B.W.
Deposit date:2002-09-13
Release date:2003-04-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The sequence and crystal structure of the alpha-amino acid ester hydrolase from Xanthomonas citri define a new family of beta-lactam antibiotic acylases.
J.Biol.Chem., 278, 2003
4C6X
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BU of 4c6x by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with thiolactomycin (TLM)
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
4PTF
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BU of 4ptf by Molmil
Ternary crystal structure of yeast DNA polymerase epsilon with template G
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*(DOC))-3', ...
Authors:Jain, R, Rajashankar, K.R, Buku, A, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2014-03-10
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.809 Å)
Cite:Crystal Structure of Yeast DNA Polymerase epsilon Catalytic Domain.
Plos One, 9, 2014
4EHW
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BU of 4ehw by Molmil
Crystal structure of LpxK from Aquifex aeolicus at 2.3 angstrom resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Tetraacyldisaccharide 4'-kinase
Authors:Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
Deposit date:2012-04-04
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZZ1
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BU of 3zz1 by Molmil
Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, Bgl1 from Hypocrea jecorina at 2.1A resolution.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCOSIDE GLUCOHYDROLASE, GLYCEROL
Authors:Sandgren, M, Kaper, T, Mikkelsen, N.E, Hansson, H, Piens, K, Gudmundsson, M, Larenas, E, Kelemen, B, Karkehabadi, S.
Deposit date:2011-08-31
Release date:2012-12-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical Characterization and Crystal Structures of a Fungal Family 3 Beta-Glucosidase, Cel3A from Hypocrea Jecorina.
J.Biol.Chem., 289, 2014
4C7T
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BU of 4c7t by Molmil
Focal Adhesion Kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine inhibitor
Descriptor: FOCAL ADHESION KINASE 1, N-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide, SULFATE ION
Authors:Le Coq, J, Lietha, D.
Deposit date:2013-09-25
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibition of Both Focal Adhesion Kinase and Fibroblast Growth Factor Receptor 2 Pathways Induces Anti-Tumor and Anti-Angiogenic Activities.
Cancer Lett., 348, 2014
4PVG
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BU of 4pvg by Molmil
Crystal structure of protein tyrosine phosphatase Shp2 catalytic domain complex with small molecular compound L88N79
Descriptor: 2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1H-indole-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 11
Authors:Zhang, Z.-Y, Zeng, L, Liu, D, Yu, Z.
Deposit date:2014-03-17
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of protein tyrosine Shp2 catalytic domain complex with compound L88N79
To be Published
1M6Z
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BU of 1m6z by Molmil
Crystal structure of reduced recombinant cytochrome c4 from Pseudomonas stutzeri
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome c4, GLYCEROL, ...
Authors:Noergaard, A, Harris, P, Larsen, S, Christensen, H.E.M.
Deposit date:2002-07-18
Release date:2003-09-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural comparison of recombinant Pseudomonas stutzeri cytochrome c4 in two oxidation states
To be Published
1DPW
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BU of 1dpw by Molmil
STRUCTURE OF HEN EGG-WHITE LYSOZYME IN COMPLEX WITH MPD
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Weiss, M.S, Palm, G.J, Hilgenfeld, R.
Deposit date:1999-12-28
Release date:2000-01-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystallization, structure solution and refinement of hen egg-white lysozyme at pH 8.0 in the presence of MPD.
Acta Crystallogr.,Sect.D, 56, 2000
4CEO
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BU of 4ceo by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: (2S)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Peat, T.S.
Deposit date:2013-11-11
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4EK2
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BU of 4ek2 by Molmil
The structure of nucleoside diphosphate kinase (NDK) from Burkholderia thailandensis bound to deoxyadenosine monophosphate
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-09
Release date:2012-05-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4CER
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BU of 4cer by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: (2S)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, CHLORIDE ION, INTEGRASE, ...
Authors:Peat, T.S.
Deposit date:2013-11-11
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4EKW
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BU of 4ekw by Molmil
Crystal structure of the NavAb voltage-gated sodium channel (wild-type, 3.2 A)
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, PHOSPHATE ION
Authors:Payandeh, J, Gamal El-Din, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2012-04-10
Release date:2012-05-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal structure of a voltage-gated sodium channel in two potentially inactivated states.
Nature, 486, 2012
2Q89
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BU of 2q89 by Molmil
Crystal structure of EhuB in complex with hydroxyectoine
Descriptor: (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CADMIUM ION, Putative ABC transporter amino acid-binding protein
Authors:Hanekop, N, Hoeing, M, Sohn-Bosser, L, Jebbar, M, Schmitt, L, Bremer, E.
Deposit date:2007-06-09
Release date:2008-01-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the ligand-binding protein EhuB from Sinorhizobium meliloti reveals substrate recognition of the compatible solutes ectoine and hydroxyectoine.
J.Mol.Biol., 374, 2007
4Q6J
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BU of 4q6j by Molmil
Crystal Structure of EAL domain Protein from Listeria monocytogenes EGD-e
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, GLYCEROL, ...
Authors:Kim, Y, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-04-22
Release date:2014-05-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:Crystal Structure of EAL domain Protein from Listeria monocytogenes EGD-e
To be Published
3UEC
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BU of 3uec by Molmil
Crystal structure of human Survivin bound to histone H3 phosphorylated on threonine-3.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Baculoviral IAP repeat-containing protein 5, ...
Authors:Niedzialkowska, E, Porebski, P.J, Cooper, D.R, Chruszcz, M, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
Deposit date:2011-10-30
Release date:2012-03-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
2JBU
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BU of 2jbu by Molmil
Crystal structure of human insulin degrading enzyme complexed with co- purified peptides.
Descriptor: 1,4-DIETHYLENE DIOXIDE, CO-PURIFIED PEPTIDE, INSULIN-DEGRADING ENZYME
Authors:Im, H, Shen, Y, Tang, W.J.
Deposit date:2006-12-11
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Substrate-Free Human Insulin Degrading Enzyme (Ide) and Biophysical Analysis of ATP-Induced Conformational Switch of Ide
J.Biol.Chem., 282, 2007

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