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4U02
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BU of 4u02 by Molmil
Crystal structure of apo-TTHA1159
Descriptor: Amino acid ABC transporter, ATP-binding protein, SULFATE ION
Authors:Karthiga Devi, S, Chichili, V.P.R, Velmurugan, D, Sivaraman, J.
Deposit date:2014-07-11
Release date:2015-05-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Structural basis for the hydrolysis of ATP by a nucleotide binding subunit of an amino acid ABC transporter from Thermus thermophilus
J.Struct.Biol., 190, 2015
4K8W
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BU of 4k8w by Molmil
An arm-swapped dimer of the S. pyogenes pilin specific assembly factor SipA
Descriptor: 1,2-ETHANEDIOL, ETHANOL, LepA
Authors:Young, P.G, Kang, H.J, Baker, E.N.
Deposit date:2013-04-19
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An arm-swapped dimer of the Streptococcus pyogenes pilin specific assembly factor SipA.
J.Struct.Biol., 183, 2013
2YFU
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BU of 2yfu by Molmil
CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL
Authors:Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J.
Deposit date:2011-04-08
Release date:2011-05-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization.
J.Biol.Chem., 286, 2011
4TUJ
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BU of 4tuj by Molmil
Crystal structure of monoclonal antibody against neuroblastoma associated antigen.
Descriptor: Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, peptide1
Authors:Grudnik, P, Golik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G.
Deposit date:2014-06-24
Release date:2015-07-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody.
Mol.Cell Proteomics, 14, 2015
4TUS
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BU of 4tus by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2) WITH MANGANESE IN THE ACTIVE SITE.
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2014-06-24
Release date:2014-10-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
4TV6
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BU of 4tv6 by Molmil
Crystal Structure of Citrate Synthase Variant SbnG E151Q
Descriptor: 2-dehydro-3-deoxyglucarate aldolase, OXALOACETATE ION
Authors:Kobylarz, M.J, Grigg, J.C, Murphy, M.E.P.
Deposit date:2014-06-26
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SbnG, a Citrate Synthase in Staphylococcus aureus: A NEW FOLD ON AN OLD ENZYME.
J.Biol.Chem., 289, 2014
4TUQ
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BU of 4tuq by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite GG template (GG0b).
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*AP*TP*GP*GP*GP*C)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2014-06-24
Release date:2014-10-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.367 Å)
Cite:Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
2YPQ
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BU of 2ypq by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with tryptophan and tyrosine bound
Descriptor: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J.
Deposit date:2012-10-31
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis.
J.Mol.Biol., 425, 2013
4KDV
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BU of 4kdv by Molmil
Crystal structure of a bacterial immunoglobulin-like domain from the M. primoryensis ice-binding adhesin
Descriptor: Antifreeze protein, CALCIUM ION
Authors:Guo, S, Garnham, C.P, Karunan, S.P, Campbell, R.L, Allingham, J.S, Davies, P.L.
Deposit date:2013-04-25
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Role of Ca(2+) in folding the tandem beta-sandwich extender domains of a bacterial ice-binding adhesin.
Febs J., 280, 2013
4XO4
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BU of 4xo4 by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-Methionine
Descriptor: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of E. coli Aminopeptidase N in complex with L-Methionine
To Be Published
4KM3
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BU of 4km3 by Molmil
Discovery of a novel structural motif in methionine aminopeptidase from Streptococci with possible post-translational modification
Descriptor: Methionine aminopeptidase
Authors:Arya, T, Addlagatta, A.
Deposit date:2013-05-08
Release date:2014-01-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of a new genetic variant of methionine aminopeptidase from streptococci with possible post-translational modifications: biochemical and structural characterization.
Plos One, 8, 2013
4ASJ
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BU of 4asj by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide, ...
Authors:Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H.
Deposit date:2012-05-01
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4XN8
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BU of 4xn8 by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-Alanine
Descriptor: ALANINE, Aminopeptidase N, MALONATE ION, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of E. coli Aminopeptidase N in complex with L-Alanine
To Be Published
4U0S
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BU of 4u0s by Molmil
Structure of Eukaryotic fic domain containing protein with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ...
Authors:Cole, A.R, Katan, M, Bunney, T.D.
Deposit date:2014-07-14
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
3VD6
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BU of 3vd6 by Molmil
Both Zn Fingers of GATA1 Bound to Palindromic DNA Recognition Site, P21 Crystal Form
Descriptor: ACETATE ION, DNA (5'-D(*AP*AP*GP*AP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*TP*C)-3'), ...
Authors:Jacques, D.A, Ripin, N, Wilkinson-White, L.E, Guss, J.M, Matthews, J.M.
Deposit date:2012-01-04
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:GATA1 directly mediates interactions with closely spaced pseudopalindromic but not distantly spaced double GATA sites on DNA.
Protein Sci., 24, 2015
7C7O
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BU of 7c7o by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative
Descriptor: 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
Authors:Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F.
Deposit date:2020-05-26
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
2IYP
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BU of 2iyp by Molmil
product rup
Descriptor: 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, ADENOSINE-2'-5'-DIPHOSPHATE, ...
Authors:Sundaramoorthy, R, Iulek, J, Hunter, W.N.
Deposit date:2006-07-21
Release date:2007-01-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structures of a Bacterial 6-Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
FEBS J., 274, 2007
7CBG
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BU of 7cbg by Molmil
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, Threonine--tRNA ligase, ZINC ION
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2020-06-12
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
4K7C
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BU of 4k7c by Molmil
Crystal structure of pepw from lactobacillus rhamnosis hn001 (dr20) determined as the selenomet derivative
Descriptor: Aminopeptidase C, GLYCEROL
Authors:Webby, C, Knapp, K.M, Anderson, B.F, Norris, G.E.
Deposit date:2013-04-16
Release date:2013-06-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of pepw from lactobacillus rhamnosis hn001 (dr20) determined as the selenomet derivative
TO BE PUBLISHED
2YA1
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BU of 2ya1 by Molmil
Product complex of a multi-modular glycogen-degrading pneumococcal virulence factor SpuA
Descriptor: PUTATIVE ALKALINE AMYLOPULLULANASE, SODIUM ION, SULFATE ION, ...
Authors:Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
Deposit date:2011-02-17
Release date:2011-04-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
2IY1
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BU of 2iy1 by Molmil
SENP1 (mutant) full length SUMO1
Descriptor: SENTRIN-SPECIFIC PROTEASE 1, SMALL UBIQUITIN-RELATED MODIFIER 1
Authors:Shen, L, Dong, C, Naismith, J.H.
Deposit date:2006-07-11
Release date:2006-08-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Sumo Protease Senp1 Induces Isomerization of the Scissile Peptide Bond.
Nat.Struct.Mol.Biol., 13, 2006
4B4M
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BU of 4b4m by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H.
Deposit date:2012-07-31
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
2IY0
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BU of 2iy0 by Molmil
SENP1 (mutant) SUMO1 RanGAP
Descriptor: RAN GTPASE-ACTIVATING PROTEIN 1, SENTRIN-SPECIFIC PROTEASE 1, SMALL UBIQUITIN-RELATED MODIFIER 1
Authors:Shen, L, Dong, C, Naismith, J.H.
Deposit date:2006-07-11
Release date:2006-08-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Sumo Protease Senp1 Induces Isomerization of the Scissile Peptide Bond.
Nat.Struct.Mol.Biol., 13, 2006
4K3M
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BU of 4k3m by Molmil
E.coli sliding clamp in complex with AcALDLF peptide
Descriptor: ALDLF, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-04-11
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
2IZ0
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BU of 2iz0 by Molmil
PEX inhibitor-home data
Descriptor: 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Sundaramoorthy, R, Iulek, J, Hunter, W.N.
Deposit date:2006-07-23
Release date:2007-01-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of a Bacterial 6- Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
FEBS J., 274, 2007

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