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3UH3
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BU of 3uh3 by Molmil
HBI (L36V) CO bound
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OP3
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BU of 4op3 by Molmil
Human GKRP bound to AMG-5112 and Sorbitol-6-phosphate
Descriptor: (2S)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-02-04
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 5. A Novel Aryl Sulfone Series, Optimization Through Conformational Analysis.
J.Med.Chem., 58, 2015
3UD3
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BU of 3ud3 by Molmil
The C92U mutant c-di-GMP-I riboswitch bound to pGpA
Descriptor: MAGNESIUM ION, RNA (5'-R(P*GP*A)-3'), RNA (92-MER), ...
Authors:Smith, K.D, Strobel, S.A.
Deposit date:2011-10-27
Release date:2012-01-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and biochemical characterization of linear dinucleotide analogues bound to the c-di-GMP-I aptamer.
Biochemistry, 51, 2012
4OPK
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BU of 4opk by Molmil
Bh-RNaseH:2'-SMe-DNA complex
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*(USM)P*TP*CP*GP*CP*G)-3', GLYCEROL, Ribonuclease H
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-02-05
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:Generating Crystallographic Models of DNA Dodecamers from Structures of RNase H:DNA Complexes.
Methods Mol.Biol., 1320
3UHB
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BU of 3uhb by Molmil
HBI (R104K) CO bound
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OPT
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BU of 4opt by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase
Descriptor: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE, ...
Authors:McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
Deposit date:2014-02-06
Release date:2014-07-09
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
3UHM
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BU of 3uhm by Molmil
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase in complex with inhibitor
Descriptor: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide, 1,2-ETHANEDIOL, GUANIDINE, ...
Authors:Montgomery, J, Liu, S.
Deposit date:2011-11-03
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Pyridone methylsulfone hydroxamate LpxC inhibitors for the treatment of serious gram-negative infections.
J.Med.Chem., 55, 2012
4OW8
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BU of 4ow8 by Molmil
Crystal structure of kinase domain of PknA from Mtb
Descriptor: GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PknA
Authors:Ravala, S.K, Singh, S, Yadav, G.S, Karthikeyan, S, Chakraborti, P.K.
Deposit date:2014-01-31
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Evidence that phosphorylation of threonine in the GT motif triggers activation of PknA, a eukaryotic-type serine/threonine kinase from Mycobacterium tuberculosis.
Febs J., 282, 2015
3UHZ
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BU of 3uhz by Molmil
HBI (T72A) deoxy
Descriptor: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OQI
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BU of 4oqi by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations
Descriptor: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase
Authors:Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
Deposit date:2014-02-09
Release date:2015-05-20
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
3UE0
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BU of 3ue0 by Molmil
Crystal structure of Acinetobacter baumannii PBP1a in complex with Aztreonam
Descriptor: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Penicillin-binding protein 1a
Authors:Han, S.
Deposit date:2011-10-28
Release date:2011-12-14
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
4OWK
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BU of 4owk by Molmil
Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin with N-Acetyl-D-Galactosamine Bound
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Cytolysin, GLYCEROL
Authors:Kaus, K, Olson, R.
Deposit date:2014-02-02
Release date:2014-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Glycan Specificity of the Vibrio vulnificus Hemolysin Lectin Outlines Evolutionary History of Membrane Targeting by a Toxin Family.
J.Mol.Biol., 426, 2014
3UEV
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BU of 3uev by Molmil
Bovine beta-lactoglobulin complex with myristic acid
Descriptor: Beta-lactoglobulin, GLYCEROL, MYRISTIC ACID
Authors:Loch, J, Lewinski, K.
Deposit date:2011-10-31
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bovine beta-lactoglobulin complex with myristic acid
Int.J.Biol.Macromol., 50, 2012
4OQS
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BU of 4oqs by Molmil
Crystal structure of CYP105AS1
Descriptor: CYP105AS1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2014-02-10
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
3UIE
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BU of 3uie by Molmil
Crystal structure of adenosine 5'-phosphosulfate kinase from Arabidopsis Thaliana in Complex with AMPPNP and APS
Descriptor: ADENOSINE-5'-PHOSPHOSULFATE, Adenylyl-sulfate kinase 1, chloroplastic, ...
Authors:Ravilious, G.E, Jez, J.M.
Deposit date:2011-11-04
Release date:2012-01-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Structural basis and evolution of redox regulation in plant adenosine-5'-phosphosulfate kinase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OXR
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BU of 4oxr by Molmil
Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with Manganese
Descriptor: MANGANESE (II) ION, Manganese ABC transporter, periplasmic-binding protein SitA
Authors:Abate, F, Malito, E, Bottomley, M.
Deposit date:2014-02-06
Release date:2014-10-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Apo, Zn2+-bound and Mn2+-bound structures reveal ligand-binding properties of SitA from the pathogen Staphylococcus pseudintermedius.
Biosci.Rep., 34, 2014
4FZO
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BU of 4fzo by Molmil
Crystal Structure of the apo-form uranyl binding protein
Descriptor: uranyl binding protein
Authors:He, C, Zhou, L, Zhang, L.
Deposit date:2012-07-06
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A protein engineered to bind uranyl selectively and with femtomolar affinity.
Nat Chem, 6, 2014
4OY9
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BU of 4oy9 by Molmil
Crystal structure of human P-Cadherin EC1-EC2 in closed conformation
Descriptor: CALCIUM ION, Cadherin-3
Authors:Dalle Vedove, A, Lucarelli, A.P, Nardone, V, Matino, A, Parisini, E.
Deposit date:2014-02-11
Release date:2015-04-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The X-ray structure of human P-cadherin EC1-EC2 in a closed conformation provides insight into the type I cadherin dimerization pathway.
Acta Crystallogr.,Sect.F, 71, 2015
4OR5
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BU of 4or5 by Molmil
Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4
Descriptor: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
Authors:Gu, J, Babayeva, N.D, Suwa, Y, Baranovskiy, A.G, Price, D.H, Tahirov, T.H.
Deposit date:2014-02-10
Release date:2014-04-16
Last modified:2014-06-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4.
Cell Cycle, 13, 2014
4ORO
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BU of 4oro by Molmil
Structure of Influenza B PB2 cap-binding domain complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Polymerase PB2
Authors:Liu, Y, Zheng, X.
Deposit date:2014-02-11
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Influenza B PB2 cap-binding domain complex with GDP
to be published
3UFC
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BU of 3ufc by Molmil
Characterization of a Cas6-related gene from Pyrococcus furiosus
Descriptor: Putative uncharacterized protein
Authors:Park, H.M, Kim, J.S.
Deposit date:2011-11-01
Release date:2012-03-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of a Cas6 paralogous protein from Pyrococcus furiosus
Proteins, 80, 2012
3UFK
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BU of 3ufk by Molmil
Crystal structure of UndA complexed with Iron Nitrilotriacetate
Descriptor: CALCIUM ION, FE (III) ION, GLYCEROL, ...
Authors:Edwards, M.J, Clarke, T.A.
Deposit date:2011-11-01
Release date:2012-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of the Extracellular 11-heme Cytochrome UndA Reveals a Conserved 10-heme Motif and Defined Binding Site for Soluble Iron Chelates.
Structure, 20, 2012
4OYJ
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BU of 4oyj by Molmil
Structure of the apo HOIP PUB domain
Descriptor: E3 ubiquitin-protein ligase RNF31, SULFATE ION
Authors:Elliott, P.R, Komander, D.
Deposit date:2014-02-12
Release date:2014-05-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Basis and Regulation of OTULIN-LUBAC Interaction.
Mol.Cell, 54, 2014
4OS3
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BU of 4os3 by Molmil
Three-dimensional structure of the C65A-W112F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form
Descriptor: Prostaglandin-H2 D-isomerase
Authors:Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L.
Deposit date:2014-02-12
Release date:2014-08-06
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
3UG5
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BU of 3ug5 by Molmil
Crystal structure of alpha-L-arabinofuranosidase from Thermotoga maritima xylose complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase, beta-D-xylopyranose
Authors:Im, D.-H, Miyazaki, K, Wakagi, T, Fushinobu, S.
Deposit date:2011-11-02
Release date:2012-03-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Glycoside Hydrolase Family 51 alpha-L-Arabinofuranosidase from Thermotoga maritima
Biosci.Biotechnol.Biochem., 76, 2012

224004

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