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3QRA
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BU of 3qra by Molmil
The crystal structure of Ail, the attachment invasion locus protein of Yersinia pestis
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Attachment invasion locus protein
Authors:Yamashita, S, Lukacik, P, Noinaj, N, Buchanan, S.K.
Deposit date:2011-02-17
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural Insights into Ail-Mediated Adhesion in Yersinia pestis.
Structure, 19, 2011
3P4Q
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BU of 3p4q by Molmil
Crystal structure of Menaquinol:oxidoreductase in complex with oxaloacetate
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tomasiak, T.M, Archuleta, T.L, Andrell, J, Luna-Chavez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M.
Deposit date:2010-10-06
Release date:2010-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase.
J.Biol.Chem., 286, 2011
4A6E
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BU of 4a6e by Molmil
Crystal structure of human N-acetylserotonin methyltransferase (ASMT) in complex with SAM and N-acetylserotonin
Descriptor: GLYCEROL, HYDROXYINDOLE O-METHYLTRANSFERASE, N-ACETYL SEROTONIN, ...
Authors:Legrand, P, Haouz, A, Shepard, W.
Deposit date:2011-11-01
Release date:2012-11-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure and Functional Mapping of Human Asmt, the Last Enzyme of the Melatonin Synthesis Pathway.
J.Pineal Res., 54, 2013
3ONZ
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BU of 3onz by Molmil
Human tetrameric hemoglobin: proximal nitrite ligand at beta
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Thormas, L.M, Safo, M.K, Musayev, F.N, Richter-Addo, G.B.
Deposit date:2010-08-30
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
4A7K
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BU of 4a7k by Molmil
Bifunctional Aldos-2-ulose dehydratase
Descriptor: ALDOS-2-ULOSE DEHYDRATASE, GLYCEROL, MAGNESIUM ION, ...
Authors:Claesson, M, Lindqvist, Y, Madrid, S, Sandalova, T, Fiskesund, R, Yu, S, Schneider, G.
Deposit date:2011-11-14
Release date:2012-03-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Bifunctional Aldos-2-Ulose Dehydratase/Isomerase from Phanerochaete Chrysosporium with the Reaction Intermediate Ascopyrone M.
J.Mol.Biol., 417, 2012
3OO5
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BU of 3oo5 by Molmil
R-state human hemoglobin: nitriheme modified
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Thormas, L.M, Richter-Addo, G.B.
Deposit date:2010-08-30
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
3QM0
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BU of 3qm0 by Molmil
Crystal structure of RTT109-AC-CoA complex
Descriptor: ACETYL COENZYME *A, Histone acetyltransferase RTT109, MERCURY (II) ION
Authors:Tang, Y, Marmorstein, R.
Deposit date:2011-02-03
Release date:2011-02-16
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Fungal Rtt109 histone acetyltransferase is an unexpected structural homolog of metazoan p300/CBP.
Nat.Struct.Mol.Biol., 15, 2008
4EB0
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BU of 4eb0 by Molmil
Crystal structure of Leaf-branch compost bacterial cutinase homolog
Descriptor: LCC, THIOCYANATE ION
Authors:Sulaiman, S, You, D.J, Eiko, K, Koga, Y, Kanaya, S.
Deposit date:2012-03-23
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Leaf-branch compost bacterial cutinase homolog
To be Published
3QRF
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BU of 3qrf by Molmil
Structure of a domain-swapped FOXP3 dimer
Descriptor: Forkhead box protein P3, MAGNESIUM ION, Nuclear factor of activated T-cells, ...
Authors:Bandukwala, H.S, Wu, Y, Feurer, M, Chen, Y, Barbosa, B, Ghosh, S, Stroud, J.C, Benoist, C, Mathis, D, Rao, A, Chen, L.
Deposit date:2011-02-17
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a Domain-Swapped FOXP3 Dimer on DNA and Its Function in Regulatory T Cells.
Immunity, 34, 2011
3L7I
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BU of 3l7i by Molmil
Structure of the Wall Teichoic Acid Polymerase TagF
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Strynadka, N.C.J, Lovering, A.L.
Deposit date:2009-12-28
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the bacterial teichoic acid polymerase TagF provides insights into membrane association and catalysis.
Nat.Struct.Mol.Biol., 17, 2010
3L92
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BU of 3l92 by Molmil
Phosphopantetheine adenylyltransferase from Yersinia pestis complexed with coenzyme A.
Descriptor: COENZYME A, Phosphopantetheine adenylyltransferase
Authors:Osipiuk, J, Maltseva, N, Makowska-grzyska, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-01-04
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-ray crystal structure of phosphopantetheine adenylyltransferase from Yersinia pestis.
To be Published
3LLQ
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BU of 3llq by Molmil
Aquaporin structure from plant pathogen Agrobacterium Tumerfaciens
Descriptor: Aquaporin Z 2
Authors:Liu, Q, Hillerich, B, Love, J, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2010-01-29
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Aquaporin structure from plant pathogen Agrobacterium Tumerfaciens
To be Published
4EIY
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BU of 4eiy by Molmil
Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Liu, W, Chun, E, Thompson, A.A, Chubukov, P, Xu, F, Katritch, V, Han, G.W, Heitman, L.H, Ijzerman, A.P, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2012-04-06
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for allosteric regulation of GPCRs by sodium ions.
Science, 337, 2012
4EVY
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BU of 4evy by Molmil
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ig from Acinetobacter haemolyticus in complex with tobramycin
Descriptor: Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, POTASSIUM ION, ...
Authors:Stogios, P.J, Evdokimova, E, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-26
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
3LP2
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BU of 3lp2 by Molmil
HIV-1 reverse transcriptase with inhibitor
Descriptor: 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
Authors:Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
Deposit date:2010-02-04
Release date:2010-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
4E43
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BU of 4e43 by Molmil
HIV protease (PR) dimer with acetate in exo site and peptide in active site
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2012-03-11
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
4EN1
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BU of 4en1 by Molmil
The 1.62A structure of a FRET-optimized Cerulean Fluorescent Protein
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Watkins, J.L.
Deposit date:2012-04-12
Release date:2013-04-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The 1.6 A resolution structure of a FRET-optimized Cerulean fluorescent protein.
Acta Crystallogr.,Sect.D, 69, 2013
3QRC
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BU of 3qrc by Molmil
The crystal structure of Ail, the attachment invasion locus protein of Yersinia pestis, in complex with the heparin analogue sucrose octasulfate
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Attachment invasion locus protein
Authors:Yamashita, S, Lukacik, P, Noinaj, N, Buchanan, S.K.
Deposit date:2011-02-17
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structural Insights into Ail-Mediated Adhesion in Yersinia pestis.
Structure, 19, 2011
4AY1
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BU of 4ay1 by Molmil
Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide binding properties
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3-LIKE PROTEIN 2
Authors:Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F.
Deposit date:2012-06-17
Release date:2012-08-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Human Ykl-39 is a Pseudo-Chitinase with Retained Chitooligosaccharide-Binding Properties.
Biochem.J., 446, 2012
3QXF
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BU of 3qxf by Molmil
Structure of the bacterial cellulose synthase subunit Z
Descriptor: Endoglucanase
Authors:Zimmer, J.
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Apo- and cellopentaose-bound structures of the bacterial cellulose synthase subunit BcsZ.
J.Biol.Chem., 286, 2011
4E83
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BU of 4e83 by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Leu29NLe mutant)
Descriptor: CHLORIDE ION, Defensin-5
Authors:Pazgier, M.
Deposit date:2012-03-19
Release date:2012-05-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
4EAH
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BU of 4eah by Molmil
Crystal structure of the formin homology 2 domain of FMNL3 bound to actin
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Thompson, M.E, Heimsath, E.G, Gauvin, T.J, Higgs, H.N, Kull, F.J.
Deposit date:2012-03-22
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:FMNL3 FH2-actin structure gives insight into formin-mediated actin nucleation and elongation.
Nat.Struct.Mol.Biol., 20, 2013
4E82
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BU of 4e82 by Molmil
Crystal structure of monomeric variant of human alpha-defensin 5, HD5 (Glu21EMe mutant)
Descriptor: Defensin-5
Authors:Pazgier, M.
Deposit date:2012-03-19
Release date:2012-05-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
3LMV
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BU of 3lmv by Molmil
D-Tyr-tRNA(Tyr) Deacylase from plasmodium falciparum in complex with hepes
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D-tyrosyl-tRNA(Tyr) deacylase, SULFITE ION
Authors:Manickam, Y, Khan, S, Bhatt, T.K, Sharma, A.
Deposit date:2010-02-01
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.833 Å)
Cite:Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states
Acta Crystallogr.,Sect.D, 66, 2010
4B0O
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BU of 4b0o by Molmil
Crystal structure of soman-aged human butyrylcholinesterase in complex with benzyl pyridinium-4-methyltrichloroacetimidate
Descriptor: 1-BENZYL-4-({[(1E)-2,2,2-TRICHLOROETHANIMIDOYL]OXY}METHYL)PYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wandhammer, M, de Koning, M, van Grol, M, Noort, D, Goeldner, M, Nachon, F.
Deposit date:2012-07-04
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013

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