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3AOX
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BU of 3aox by Molmil
X-ray crystal structure of human anaplastic lymphoma kinase in complex with CH5424802
Descriptor: 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, ALK tyrosine kinase receptor
Authors:Nagel, S, Moertl, M, Jestel, A, Fukami, T.A.
Deposit date:2010-10-08
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant
Cancer Cell, 19, 2011
3AMO
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BU of 3amo by Molmil
Time-resolved X-ray Crystal Structure Analysis of Enzymatic Reaction of Copper Amine Oxidase from Arthrobacter globiformis
Descriptor: COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ...
Authors:Kataoka, M, Oya, H, Tominaga, A, Otsu, M, Okajima, T, Tanizawa, K, Yamaguchi, H.
Deposit date:2010-08-20
Release date:2011-11-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Detection of the reaction intermediates catalyzed by a copper amine oxidase.
J.SYNCHROTRON RADIAT., 18, 2011
3ANP
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BU of 3anp by Molmil
Crystal structure of Thermus thermophilus FadR, a TetR familly transcriptional repressor, in complex with lauroyl-CoA.
Descriptor: DODECYL-COA, LAURIC ACID, Transcriptional repressor, ...
Authors:Agari, Y, Agari, K, Sakamoto, K, Kuramitsu, S, Shinkai, A.
Deposit date:2010-09-06
Release date:2011-03-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:TetR-family transcriptional repressor Thermus thermophilus FadR controls fatty acid degradation.
Microbiology, 157, 2011
3AOC
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BU of 3aoc by Molmil
Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Descriptor: Acriflavine resistance protein B, ERYTHROMYCIN A
Authors:Nakashima, R, Sakurai, K, Yamaguchi, A.
Deposit date:2010-09-23
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Nature, 480, 2011
3AT8
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Crystal Structure of the Kir3.2 Cytoplasmic Domain (Na+-free crystal soaked in 10 mM barium chloride)
Descriptor: BARIUM ION, Potassium inwardly-rectifying channel, subfamily J, ...
Authors:Inanobe, A, Kurachi, Y.
Deposit date:2010-12-28
Release date:2011-10-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Interactions of cations with the cytoplasmic pores of inward rectifier K(+) channels in the closed state
J.Biol.Chem., 286, 2011
3ATD
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BU of 3atd by Molmil
Crystal Structure of the Kir3.2 Cytoplasmic Domain (Na+-free crystal soaked in 10 mM Gadolinium chloride and 10 mM magnesium chloride)
Descriptor: GADOLINIUM ATOM, Potassium inwardly-rectifying channel, subfamily J, ...
Authors:Inanobe, A, Kurachi, Y.
Deposit date:2010-12-28
Release date:2011-10-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Interactions of cations with the cytoplasmic pores of inward rectifier K(+) channels in the closed state
J.Biol.Chem., 286, 2011
3AVC
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BU of 3avc by Molmil
Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
Descriptor: ACETIC ACID, CHLORIDE ION, Integrase, ...
Authors:Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I.
Deposit date:2011-03-02
Release date:2012-01-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
3AUO
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BU of 3auo by Molmil
DNA polymerase X from Thermus thermophilus HB8 ternary complex with 1-nt gapped DNA and ddGTP
Descriptor: 1-nt gapped DNA, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase beta family (X family), ...
Authors:Nakane, S, Nakagawa, N, Masui, R, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-02-11
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural basis of the kinetic mechanism of a gap-filling X-family DNA polymerase that binds Mg(2+)-dNTP before binding to DNA.
J.Mol.Biol., 417, 2012
3AVK
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BU of 3avk by Molmil
Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
Descriptor: ACETIC ACID, CHLORIDE ION, Integrase, ...
Authors:Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I.
Deposit date:2011-03-05
Release date:2012-01-18
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
3ART
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BU of 3art by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with DEQUALINIUM
Descriptor: Chitinase A, DEQUALINIUM, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3AS5
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BU of 3as5 by Molmil
MamA AMB-1 P212121
Descriptor: MAGNESIUM ION, MamA
Authors:Zeytuni, N, Davidov, G, Zarivach, R.
Deposit date:2010-12-10
Release date:2011-07-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Self-recognition mechanism of MamA, a magnetosome-associated TPR-containing protein, promotes complex assembly
Proc.Natl.Acad.Sci.USA, 108, 2011
3ATA
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BU of 3ata by Molmil
Crystal Structure of the Kir3.2 Cytoplasmic Domain (Na+-free crystal soaked in 10 mM barium chloride and 10 mM Spermine)
Descriptor: BARIUM ION, Potassium inwardly-rectifying channel, subfamily J, ...
Authors:Inanobe, A, Kurachi, Y.
Deposit date:2010-12-28
Release date:2011-10-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Interactions of cations with the cytoplasmic pores of inward rectifier K(+) channels in the closed state
J.Biol.Chem., 286, 2011
3AS8
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BU of 3as8 by Molmil
MamA MSR-1 P41212
Descriptor: Magnetosome protein MamA, SULFATE ION
Authors:Zeytuni, N, Davidov, G, Zarivach, R.
Deposit date:2010-12-10
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Self-recognition mechanism of MamA, a magnetosome-associated TPR-containing protein, promotes complex assembly
Proc.Natl.Acad.Sci.USA, 108, 2011
3AVM
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BU of 3avm by Molmil
Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
Descriptor: ACETIC ACID, CHLORIDE ION, Integrase, ...
Authors:Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I.
Deposit date:2011-03-05
Release date:2012-01-18
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
3ASH
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BU of 3ash by Molmil
MamA D159K mutant 1
Descriptor: MamA, SULFATE ION
Authors:Zeytuni, N, Levin, M, Davidov, G, Zarivach, R.
Deposit date:2010-12-11
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Self-recognition mechanism of MamA, a magnetosome-associated TPR-containing protein, promotes complex assembly
Proc.Natl.Acad.Sci.USA, 108, 2011
3APF
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BU of 3apf by Molmil
Crystal structure of human PI3K-gamma in complex with CH5039699
Descriptor: 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3AQI
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BU of 3aqi by Molmil
H240A variant of human ferrochelatase
Descriptor: CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ...
Authors:Lanzilotta, W.N, Medlock, A.E, Dailey, T.A, Dailey, H.A.
Deposit date:2010-11-03
Release date:2012-01-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:H240A variant of human ferrochelatase
To be published
3ASU
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BU of 3asu by Molmil
Crystal structure of serine dehydrogenase from Escherichia coli
Descriptor: Short-chain dehydrogenase/reductase SDR
Authors:Yamazawa, R, Nakajima, Y, Yoshimoto, T, Ito, K.
Deposit date:2010-12-21
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of serine dehydrogenase from Escherichia coli: important role of the C-terminal region for closed-complex formation.
J.Biochem., 149, 2011
3AT0
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BU of 3at0 by Molmil
Structural and biochemical characterization of ClfB:ligand interactions
Descriptor: C-terminal alpha chain peptide, Clumping factor B
Authors:Ganesh, V.K.
Deposit date:2010-12-23
Release date:2011-05-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and biochemical characterization of ClfB:ligand interactions
To be published
3ATE
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BU of 3ate by Molmil
Crystal Structure of the Kir3.2 Cytoplasmic Domain (Na+-free crystal soaked in 10 mM praseodymium (III) acetate)
Descriptor: PRASEODYMIUM ION, Potassium inwardly-rectifying channel, subfamily J, ...
Authors:Inanobe, A, Kurachi, Y.
Deposit date:2010-12-28
Release date:2011-10-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Interactions of cations with the cytoplasmic pores of inward rectifier K(+) channels in the closed state
J.Biol.Chem., 286, 2011
3ARP
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BU of 3arp by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with DEQUALINIUM
Descriptor: Chitinase A, DEQUALINIUM, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3AS1
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BU of 3as1 by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with chelerythrine
Descriptor: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL
Authors:Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3ASV
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BU of 3asv by Molmil
The Closed form of serine dehydrogenase complexed with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, Short-chain dehydrogenase/reductase SDR
Authors:Yamazawa, R, Nakajima, Y, Yoshimoto, T, Ito, K.
Deposit date:2010-12-21
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of serine dehydrogenase from Escherichia coli: important role of the C-terminal region for closed-complex formation.
J.Biochem., 149, 2011
3ATS
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BU of 3ats by Molmil
Crystal structure of Rv3168
Descriptor: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Kim, Y.-G, Kim, S, Nguyen, C.M.T, Kim, K.-J.
Deposit date:2011-01-13
Release date:2011-08-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of Mycobacterium tuberculosis Rv3168: a putative aminoglycoside antibiotics resistance enzyme
Proteins, 79, 2011
3AV6
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BU of 3av6 by Molmil
Crystal structure of mouse DNA methyltransferase 1 with AdoMet
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S.
Deposit date:2011-02-22
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Proc.Natl.Acad.Sci.USA, 108, 2011

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