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5IQI
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Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) Y237F mutant in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQA
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Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5JV0
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Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038
Descriptor: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
Authors:Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-05-10
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
1H8V
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BU of 1h8v by Molmil
The X-ray Crystal Structure of the Trichoderma reesei Family 12 Endoglucanase 3, Cel12A, at 1.9 A Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-BETA-1,4-GLUCANASE
Authors:Sandgren, M, Shaw, A, Ropp, T.H, Wu, S, Bott, R, Cameron, A.D, Stahlberg, J, Mitchinson, C, Jones, T.A.
Deposit date:2001-02-16
Release date:2001-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The X-Ray Crystal Structure of the Trichoderma Reesei Family 12 Endoglucanase 3, Cel12A, at 1.9 A Resolution
J.Mol.Biol., 308, 2001
2PGE
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BU of 2pge by Molmil
Crystal structure of MenC from Desulfotalea psychrophila LSv54
Descriptor: MenC
Authors:Agarwal, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-04-09
Release date:2007-04-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
3C8H
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BU of 3c8h by Molmil
Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of 2,3-Di-hydroxy-N-benzoyl-serine
Descriptor: Enterochelin esterase
Authors:Kim, Y, Maltseva, N, Abergel, R, Holzle, D, Raymond, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-12
Release date:2008-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Siderophore Mediated Iron Acquisition: Structure and Specificity of Enterobactin Esterase from Shigella flexneri.
To be Published
3CAE
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BU of 3cae by Molmil
Structure of NNQQNY as an insert in T7 endonuclease I
Descriptor: Endonuclease I
Authors:Guo, Z, Eisenberg, D.
Deposit date:2008-02-19
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of a fibril-forming sequence, NNQQNY, in the context of a globular fold.
Protein Sci., 17, 2008
2PKS
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BU of 2pks by Molmil
Thrombin in complex with inhibitor
Descriptor: 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE, Hirudin, SODIUM ION, ...
Authors:Xue, Y.
Deposit date:2007-04-18
Release date:2008-04-22
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold.
Org.Biomol.Chem., 5, 2007
5JZ7
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BU of 5jz7 by Molmil
NGF IN COMPLEX WITH MEDI578 scFv
Descriptor: Beta-nerve growth factor, MEDI578 scFv, heavy chain, ...
Authors:Olsson, L.-L, Aagaard, A.
Deposit date:2016-05-16
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Engineering the surface properties of a human monoclonal antibody prevents self-association and rapid clearance in vivo.
Sci Rep, 6, 2016
2B4J
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Structural basis for the recognition between HIV-1 integrase and LEDGF/p75
Descriptor: GLYCEROL, Integrase (IN), PC4 and SFRS1 interacting protein, ...
Authors:Cherepanov, P, Ambrosio, A.L, Rahman, S, Ellenberger, T, Engelman, A.
Deposit date:2005-09-24
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis for the recognition between HIV-1 integrase and transcriptional coactivator p75
Proc.Natl.Acad.Sci.Usa, 102, 2005
3C90
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BU of 3c90 by Molmil
The 1.25 A Resolution Structure of Phosphoribosyl-ATP Pyrophosphohydrolase from Mycobacterium tuberculosis, crystal form II
Descriptor: Phosphoribosyl-ATP pyrophosphatase
Authors:Javid-Majd, F, Yang, D, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-02-14
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
2ARC
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BU of 2arc by Molmil
ESCHERICHIA COLI REGULATORY PROTEIN ARAC COMPLEXED WITH L-ARABINOSE
Descriptor: ARABINOSE OPERON REGULATORY PROTEIN, alpha-L-arabinopyranose
Authors:Soisson, S.M, Wolberger, C.
Deposit date:1996-10-29
Release date:1997-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for ligand-regulated oligomerization of AraC.
Science, 276, 1997
2B0Q
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BU of 2b0q by Molmil
Crystal Structure Of 3',5"-Aminoglycoside Phosphotransferase Type IIIa ADP Neomycin B Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aminoglycoside 3'-phosphotransferase, MAGNESIUM ION, ...
Authors:Fong, D.H, Berghuis, A.M.
Deposit date:2005-09-14
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substrate promiscuity of an aminoglycoside antibiotic resistance enzyme via target mimicry.
Embo J., 21, 2002
2AHB
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BU of 2ahb by Molmil
X-ray crystal structure of R46A,R161A mutant of Mycobacterium tuberculosis FabH
Descriptor: Beta- ketoacyl-ACP synthase III
Authors:Brown, A.K, Sridharan, S, Kremer, L, Lindenberg, S, Dover, L.G, Sacchettini, J.C, Besra, G.S.
Deposit date:2005-07-27
Release date:2005-08-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Mechanism of the Mycobacterium tuberculosis {beta}-Ketoacyl-Acyl Carrier Protein Synthase III mtFabH: FACTORS INFLUENCING CATALYSIS AND SUBSTRATE SPECIFICITY
J.Biol.Chem., 280, 2005
4YWA
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BU of 4ywa by Molmil
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
Descriptor: (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin
Authors:Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L.
Deposit date:2015-03-20
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.192 Å)
Cite:Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
5FIP
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BU of 5fip by Molmil
Discovery and characterization of a novel thermostable and highly halotolerant GH5 cellulase from an Icelandic hot spring isolate
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, ...
Authors:Zarafeta, D, Kissas, D, Sayer, C, Gudbergsdottir, S.R, Ladoukakis, E, Isupov, M.N, Chatziioannou, A, Peng, X, Littlechild, J.A, Skretas, G, Kolisis, F.N.
Deposit date:2015-10-01
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery and Characterization of a Thermostable and Highly Halotolerant Gh5 Cellulase from an Icelandic Hot Spring Isolate.
Plos One, 11, 2016
3BYI
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BU of 3byi by Molmil
Crystal structure of human Rho GTPase activating protein 15 (ARHGAP15)
Descriptor: Rho GTPase activating protein 15
Authors:Shrestha, L, Tickle, J, Elkins, J, Burgess-Brown, N, Johansson, C, Papagrigoriou, E, Kavanagh, K, Pike, A.C.W, Ugochukwu, E, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2008-01-16
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Human Rho GTPase Activating Protein 15 (ARHGAP15).
To be Published
2APW
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BU of 2apw by Molmil
Crystal Structure of the G17E/A52V/S54N/K66E/E80V/L81S/T87S/G96V variant of the murine T cell receptor V beta 8.2 domain
Descriptor: MALONIC ACID, T cell receptor beta chain V
Authors:Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J.
Deposit date:2005-08-16
Release date:2006-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.
Structure, 13, 2005
2AHI
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BU of 2ahi by Molmil
Structural Basis of DNA Recognition by p53 Tetramers (complex III)
Descriptor: 5'-D(*CP*GP*GP*AP*CP*AP*TP*GP*TP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION
Authors:Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z.
Deposit date:2005-07-28
Release date:2006-07-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis of DNA Recognition by p53 Tetramers
Mol.Cell, 22, 2006
2KTO
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BU of 2kto by Molmil
Spatial structure of Lch-beta peptide from two-component lantibiotic Lichenicidin VK21
Descriptor: LCHB
Authors:Mineev, K.S, Shenkarev, Z.O, Ovchinnikova, T.V, Arseniev, A.S.
Deposit date:2010-02-05
Release date:2010-07-21
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Isolation, Structure Elucidation, and Synergistic Antibacterial Activity of a Novel Two-Component Lantibiotic Lichenicidin from Bacillus Licheniformis Vk21.
Biochemistry, 49, 2010
1KTW
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BU of 1ktw by Molmil
IOTA-CARRAGEENASE COMPLEXED TO IOTA-CARRAGEENAN FRAGMENTS
Descriptor: 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Michel, G, Kahn, R, Dideberg, O.
Deposit date:2002-01-18
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structural Bases of the Processive Degradation of iota-Carrageenan, a Main Cell Wall Polysaccharide of Red Algae.
J.Mol.Biol., 334, 2003
5F7L
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BU of 5f7l by Molmil
Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with Nanobody Nb-ER14
Descriptor: Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER14, SULFATE ION
Authors:Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H.
Deposit date:2015-12-08
Release date:2016-01-20
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
5F97
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BU of 5f97 by Molmil
Blood group antigen binding adhesin BabA of Helicobacter pylori strain A730 in complex with blood group A type 1 hexasaccharide
Descriptor: Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanbody Nb-ER19, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H.
Deposit date:2015-12-09
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
2APV
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Crystal Structure of the G17E/A52V/S54N/Q72H/E80V/L81S/T87S/G96V variant of the murine T cell receptor V beta 8.2 domain
Descriptor: MALONIC ACID, T cell receptor beta chain V
Authors:Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J.
Deposit date:2005-08-16
Release date:2006-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.
Structure, 13, 2005
2AQ1
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BU of 2aq1 by Molmil
Crystal structure of T-cell receptor V beta domain variant complexed with superantigen SEC3 mutant
Descriptor: Enterotoxin type C-3, T-cell receptor beta chain V
Authors:Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J.
Deposit date:2005-08-17
Release date:2006-03-21
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.
Structure, 13, 2005

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