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3VDD
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BU of 3vdd by Molmil
Structure of HRV2 capsid complexed with antiviral compound BTA798
分子名称: 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole, Protein VP1, Protein VP2, ...
著者Morton, C.J, Feil, S.C, Parker, M.W.
登録日2012-01-05
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An Orally Available 3-Ethoxybenzisoxazole Capsid Binder with Clinical Activity against Human Rhinovirus.
ACS Med Chem Lett, 3, 2012
3VE2
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BU of 3ve2 by Molmil
The 2.1 angstrom crystal structure of Transferrin binding protein B (TbpB) from serogroup B M982 Neisseria meningitidis
分子名称: ACETATE ION, GLYCEROL, SODIUM ION, ...
著者Calmettes, C, Moraes, T.F.
登録日2012-01-06
公開日2012-02-22
最終更新日2012-09-05
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献The structural basis of transferrin sequestration by transferrin-binding protein B.
Nat.Struct.Mol.Biol., 19, 2012
3VES
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BU of 3ves by Molmil
Crystal structure of the O-carbamoyltransferase TobZ in complex with AMPCPP and carbamoyl phosphate
分子名称: 1,2-ETHANEDIOL, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, FE (II) ION, ...
著者Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F.
登録日2012-01-09
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
3VFI
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BU of 3vfi by Molmil
Crystal Structure of a Metagenomic Thioredoxin
分子名称: thioredoxin
著者Craig, T.K, Gardberg, A, Lorimer, D.D, Burgin Jr, A.B, Segall, A, Rohwer, F.
登録日2012-01-09
公開日2013-01-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of a Metagenomic Thioredoxin
To be Published
3VFS
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BU of 3vfs by Molmil
crystal structure of HLA B*3508LPEP-P5Ala , peptide mutant P5-ala
分子名称: Beta-2-microglobulin, LPEP peptide from EBV, P5A, ...
著者Liu, Y.C, Rossjohn, J, Gras, S.
登録日2012-01-10
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
3VG2
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BU of 3vg2 by Molmil
Iodide derivative of human LFABP
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3UFX
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BU of 3ufx by Molmil
Thermus aquaticus succinyl-CoA synthetase in complex with GDP-Mn2+
分子名称: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Succinyl-CoA synthetase beta subunit, ...
著者Fraser, M.E.
登録日2011-11-01
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Biochemical and structural characterization of the GTP-preferring succinyl-CoA synthetase from Thermus aquaticus.
Acta Crystallogr.,Sect.D, 68, 2012
3UGV
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BU of 3ugv by Molmil
Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG
分子名称: CHLORIDE ION, Enolase, MAGNESIUM ION, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-11-03
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG
to be published
3UKA
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BU of 3uka by Molmil
CRYSTAL STRUCTURE OF UDP-galactopyranose mutase from Aspergillus fumigatus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase
著者Van Straaten, K.E, Sanders, D.A.R.
登録日2011-11-09
公開日2012-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UKF
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BU of 3ukf by Molmil
CRYSTAL STRUCTURE OF UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDPgalp (reduced)
分子名称: CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, ...
著者Van Straaten, K.E, Sanders, D.A.R.
登録日2011-11-09
公開日2012-02-22
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3ULT
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BU of 3ult by Molmil
Crystal structure of an ice-binding protein from the perennial ryegrass, Lolium perenne
分子名称: 1,2-ETHANEDIOL, ETHANOL, Ice recrystallization inhibition protein-like protein
著者Middleton, A.J, Faucher, F, Campbell, R.L, Davies, P.L.
登録日2011-11-11
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Antifreeze protein from freeze-tolerant grass has a beta-roll fold with an irregularly structured ice-binding site.
J.Mol.Biol., 416, 2012
3UC7
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BU of 3uc7 by Molmil
Trp-cage cyclo-TC1 - monoclinic crystal form
分子名称: CHLORIDE ION, Cyclo-TC1
著者Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H.
登録日2011-10-26
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UC9
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BU of 3uc9 by Molmil
Crystal Structure of Yeast Irc6p - A Novel Type of Conserved Clathrin Accessory Protein
分子名称: Increased recombination centers protein 6
著者Gorynia, S, Payne, G.S, Cascio, D, Sawaya, M.R.
登録日2011-10-26
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Yeast Irc6p is a novel type of conserved clathrin coat accessory factor related to small G proteins.
Mol Biol Cell, 23, 2012
3UDH
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BU of 3udh by Molmil
Crystal Structure of BACE with Compound 1
分子名称: (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UDQ
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BU of 3udq by Molmil
Crystal Structure of BACE with Compound 13
分子名称: (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UE2
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BU of 3ue2 by Molmil
Crystal structure of a RNA binding domain of poly-U binding splicing factor 60KDa (PUF60) from Homo sapiens at 1.23 A resolution
分子名称: Poly(U)-binding-splicing factor PUF60, SULFATE ION
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2011-10-28
公開日2011-11-30
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Crystal structure of a RNA binding domain of poly-U binding splicing factor 60KDa (PUF60) from Homo sapiens at 1.23 A resolution
To be published
3UTQ
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BU of 3utq by Molmil
Human HLA-A*0201-ALWGPDPAAA
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M.
登録日2011-11-26
公開日2012-01-25
最終更新日2012-03-07
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
3UGJ
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BU of 3ugj by Molmil
Formyl Glycinamide ribonucletide amidotransferase from Salmonella Typhimurum: Role of the ATP complexation and glutaminase domain in catalytic coupling
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ...
著者Morar, M, Tanwar, A.S, Panjikar, S, Anand, R.
登録日2011-11-02
公開日2012-06-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling
Acta Crystallogr.,Sect.D, 68, 2012
3UI6
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BU of 3ui6 by Molmil
0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
著者Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
登録日2011-11-04
公開日2012-11-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
3UIN
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BU of 3uin by Molmil
Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2
分子名称: E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
著者Gareau, J.R, Reverter, D, Lima, C.D.
登録日2011-11-05
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2.
J.Biol.Chem., 287, 2012
3UJ4
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BU of 3uj4 by Molmil
Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor
分子名称: Inositol 1,4,5-trisphosphate receptor type 1, SULFATE ION
著者Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional conservation of key domains in InsP3 and ryanodine receptors.
Nature, 483, 2012
3UDM
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BU of 3udm by Molmil
Crystal Structure of BACE with Compound 8
分子名称: 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UKP
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BU of 3ukp by Molmil
Crystal structure of R327A UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDPgalp
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, UDP-galactopyranose mutase
著者Van Straaten, K.E, Sanders, D.A.R.
登録日2011-11-09
公開日2012-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UDT
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BU of 3udt by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP5.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, MAGNESIUM ION, ...
著者Gosein, V, Leung, T.-F, Krajden, O, Miller, G.J.
登録日2011-10-28
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Inositol phosphate-induced stabilization of inositol 1,3,4,5,6-pentakisphosphate 2-kinase and its role in substrate specificity.
Protein Sci., 21, 2012
3UMW
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BU of 3umw by Molmil
Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one
分子名称: (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ...
著者Parker, L.J, Handa, N, Yokoyama, S.
登録日2011-11-14
公開日2012-10-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound.
J.Med.Chem., 55, 2012

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