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4RFO
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BU of 4rfo by Molmil
Crystal structure of the ADCC-Potent Antibody N60-I3 Fab in complex with HIV-1 Clade A/E gp120 and M48u1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade A/E gp120, N60-i3 Fab heavy chain, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2014-09-26
Release date:2015-07-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.2 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
4QYR
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BU of 4qyr by Molmil
Streptomyces platensis isomigrastatin ketosynthase domain MgsE KS3
Descriptor: ACETIC ACID, AT-less polyketide synthase, CHLORIDE ION, ...
Authors:Kim, Y, Li, H, Endres, M, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-07-25
Release date:2014-08-20
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
1JZN
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BU of 1jzn by Molmil
crystal structure of a galactose-specific C-type lectin
Descriptor: CALCIUM ION, CHLORIDE ION, Galactose-specific lectin, ...
Authors:Walker, J.R, Nagar, B, Young, N.M, Hirama, T, Rini, J.M.
Deposit date:2001-09-16
Release date:2003-07-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray Crystal Structure of a Galactose-Specific C-Type Lectin Possessing a Novel Decameric Quaternary Structure.
Biochemistry, 43, 2004
2BAI
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BU of 2bai by Molmil
The Zinc finger domain of Mengovirus Leader polypeptide
Descriptor: Genome polyprotein, ZINC ION
Authors:Cornilescu, C.C, Porter, F.W, Qin, Z, Lee, M.S, Palmenberg, A.C, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-10-14
Release date:2006-01-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the mengovirus Leader protein zinc-finger domain.
Febs Lett., 582, 2008
1O9S
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BU of 1o9s by Molmil
Crystal structure of a ternary complex of the human histone methyltransferase SET7/9
Descriptor: GENE FRAGMENT FOR HISTONE H3, HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-4 SPECIFIC, ...
Authors:Xiao, B, Jing, C, Wilson, J.R, Walker, P.A, Vasisht, N, Kelly, G, Howell, S, Taylor, I.A, Blackburn, G.M, Gamblin, S.J.
Deposit date:2002-12-18
Release date:2003-02-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Catalytic Mechanism of the Human Histone Methyltransferase Set7/9
Nature, 421, 2003
4JAR
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BU of 4jar by Molmil
Crystal structure of mycobacterium tuberculosis pks11 in complex with polyketide intermediates and evidence that it synthesize ALKYLPYRONES
Descriptor: Alpha-pyrone synthesis polyketide synthase-like Pks11
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 (1.98 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
4JAO
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BU of 4jao by Molmil
Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones
Descriptor: (2S)-2-methylheptadecan-1-ol, Alpha-pyrone synthesis polyketide synthase-like Pks11, PALMITIC ACID
Authors:Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2013-02-18
Release date:2013-04-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.05 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
4JLY
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BU of 4jly by Molmil
Dodecameric structure of spermidine N-acetyltransferase from Vibrio cholerae
Descriptor: SULFATE ION, Spermidine n1-acetyltransferase
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Kuhn, M.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-03-13
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.882 Å)
Cite:Substrate-Induced Allosteric Change in the Quaternary Structure of the Spermidine N-Acetyltransferase SpeG.
J.Mol.Biol., 427, 2015
2LW1
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BU of 2lw1 by Molmil
The C-terminal domain of the Uup protein is a DNA-binding coiled coil motif
Descriptor: ABC transporter ATP-binding protein uup
Authors:Carlier, L, Haase, A.S, Burgos Zepeda, M.Y, Dassa, E, Lequin, O.
Deposit date:2012-07-19
Release date:2012-09-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The C-terminal domain of the Uup protein is a DNA-binding coiled coil motif.
J.Struct.Biol., 180, 2012
2X0I
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BU of 2x0i by Molmil
2.9 A RESOLUTION STRUCTURE OF MALATE DEHYDROGENASE FROM ARCHAEOGLOBUS FULGIDUS IN COMPLEX WITH NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, SODIUM ION, ...
Authors:Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D, Karshikoff, A, Tibbelin, G, Ladenstein, R, Lien, T, Birkeland, N.-K.
Deposit date:2009-12-14
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The 2.9A Resolution Crystal Structure of Malate Dehydrogenase from Archaeoglobus Fulgidus: Mechanisms of Oligomerisation and Thermal Stabilisation.
J.Mol.Biol., 335, 2004
4PF7
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BU of 4pf7 by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
Descriptor: (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION
Authors:Wang, Y, Guo, S.
Deposit date:2014-04-28
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.33 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
4S35
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BU of 4s35 by Molmil
AMPPCP and TMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
Febs J., 284, 2017
2X9K
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BU of 2x9k by Molmil
Structure of a E.coli porin
Descriptor: OUTER MEMBRANE PROTEIN G, octyl beta-D-glucopyranoside
Authors:Korkmaz-Ozkan, F, Koster, S, Kuhlbrandt, W, Mantele, W, Yildiz, O.
Deposit date:2010-03-21
Release date:2011-01-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Correlation between the Ompg Secondary Structure and its Ph-Dependent Alterations Monitored by Ftir.
J.Mol.Biol., 401, 2010
2XQ6
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BU of 2xq6 by Molmil
Pentameric ligand gated ion channel GLIC in complex with cesium ion (Cs+)
Descriptor: CESIUM 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 (3.7 Å)
Cite:Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
2XQA
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BU of 2xqa by Molmil
Pentameric ligand gated ion channel GLIC in complex with tetrabutylantimony (TBSb)
Descriptor: ANTIMONY (III) 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 (3.7 Å)
Cite:Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
3Q9N
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BU of 3q9n by Molmil
In silico and in vitro co-evolution of a high affinity complementary protein-protein interface
Descriptor: CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ...
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:2011-01-09
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
4TSM
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BU of 4tsm by Molmil
MBP-fusion protein of PilA1 from C. difficile R20291 residues 26-166
Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein, pilin chimera, ...
Authors:Piepenbrink, K.H, Sundberg, E.J.
Deposit date:2014-06-19
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structural and Evolutionary Analyses Show Unique Stabilization Strategies in the Type IV Pili of Clostridium difficile.
Structure, 23, 2015
3QO8
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BU of 3qo8 by Molmil
Crystal Structure of seryl-tRNA synthetase from Candida albicans
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, MAGNESIUM ION, Seryl-tRNA synthetase, ...
Authors:Rocha, R, Santos, M.A, Pereira, P.J.B, Macedo-Ribeiro, S.
Deposit date:2011-02-09
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
4PX2
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BU of 4px2 by Molmil
Human GKRP bound to AMG2882 and Sorbitol-6-Phosphate
Descriptor: D-SORBITOL-6-PHOSPHATE, GLYCEROL, Glucokinase regulatory protein, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-03-21
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and Structure Guided Optimization of Diarylmethanesulfonamide Disruptors of GK-GKRP Binding
To be Published
4Q0Q
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BU of 4q0q by Molmil
Crystal structure of Acinetobacter sp. DL28 L-ribose isomerase in complex with L-ribulose
Descriptor: COBALT (II) ION, COBALT HEXAMMINE(III), L-Ribose isomerase, ...
Authors:Yoshida, H, Yoshihara, A, Teraoka, M, Izumori, K, Kamitori, S.
Deposit date:2014-04-02
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray structure of a novel L-ribose isomerase acting on a non-natural sugar L-ribose as its ideal substrate.
Febs J., 281, 2014
4Q0U
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BU of 4q0u by Molmil
Crystal structure of Acinetobacter sp. DL28 L-ribose isomerase mutant E204Q in complex with L-ribose
Descriptor: COBALT (II) ION, COBALT HEXAMMINE(III), L-Ribose isomerase, ...
Authors:Yoshida, H, Yoshihara, A, Teraoka, M, Izumori, K, Kamitori, S.
Deposit date:2014-04-02
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:X-ray structure of a novel L-ribose isomerase acting on a non-natural sugar L-ribose as its ideal substrate.
Febs J., 281, 2014
4PXS
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BU of 4pxs by Molmil
Human GKRP bound to AMG-0265 (N-[(R)-(2-CHLOROPHENYL){7-[4-(2-HYDROXYPROPAN-2-YL) PYRIDIN-2-YL]-1-BENZOTHIOPHEN-2-YL}METHYL]CYCLOPROPANESULFONAMIDE) and Sorbitol-6-phosphate
Descriptor: D-SORBITOL-6-PHOSPHATE, GLYCEROL, Glucokinase regulatory protein, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-03-24
Release date:2015-03-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Structure-Guided Optimization of Diarylmethanesulfonamide Disruptors of GK-GKRP Binding.
To be Published
4Q4E
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BU of 4q4e by Molmil
Crystal structure of E.coli aminopeptidase N in complex with actinonin
Descriptor: ACTINONIN, Aminopeptidase N, GLYCEROL, ...
Authors:Reddi, R, Ganji, R.J, Addlagatta, A.
Deposit date:2014-04-14
Release date:2015-04-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the inhibition of M1 family aminopeptidases by the natural product actinonin: Crystal structure in complex with E. coli aminopeptidase N.
Protein Sci., 24, 2015
4KKX
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BU of 4kkx by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2013-05-06
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
2XSZ
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BU of 2xsz by Molmil
The dodecameric human RuvBL1:RuvBL2 complex with truncated domains II
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, RUVB-LIKE 1, RUVB-LIKE 2
Authors:Gorynia, S, Bandeiras, T.M, Matias, P.M, Pinho, F.G, McVey, C.E, Vonrhein, C, Svergun, D.I, Round, A, Donner, P, Carrondo, M.A.
Deposit date:2010-10-01
Release date:2011-10-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Insights Into a Dodecameric Molecular Machine - the Ruvbl1/Ruvbl2 Complex.
J.Struct.Biol., 176, 2011

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