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4IJ5
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Crystal Structure of a Novel-type Phosphoserine Phosphatase from Hydrogenobacter thermophilus TK-6
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Phosphoserine phosphatase 1
著者Chiba, Y, Horita, S, Ohtsuka, J, Arai, H, Nagata, K, Igarashi, Y, Tanokura, M, Ishii, M.
登録日2012-12-21
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural units important for activity of a novel-type phosphoserine phosphatase from Hydrogenobacter thermophilus TK-6 revealed by crystal structure analysis
J.Biol.Chem., 288, 2013
4IN4
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Crystal structure of cpd 15 bound to Keap1 Kelch domain
分子名称: 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION
著者Silvian, L, Marcotte, D.
登録日2013-01-03
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
4ID7
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ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
分子名称: Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
著者Jin, M, Wang, J, Kleinberg, A, Kadalbajoo, M, Siu, K, Cooke, A, Bittner, M, Yao, Y, Thelemann, A, Ji, Q, Bhagwat, S, Crew, A.P, Pachter, J, Epstein, D, Mulvihill, M.J.
登録日2012-12-11
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IN0
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BU of 4in0 by Molmil
Crystal Structure of human splicing factor dim2/TXNL4B
分子名称: Thioredoxin-like protein 4B, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Jin, T.C, Guo, F, Zhang, Y.Z.
登録日2013-01-03
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.327 Å)
主引用文献High-resolution crystal structure of human Dim2/TXNL4B.
Acta Crystallogr.,Sect.F, 69, 2013
4INA
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Crystal Structure of the Q7MSS8_WOLSU protein from Wolinella succinogenes. Northeast Structural Genomics Consortium Target WsR35
分子名称: saccharopine dehydrogenase
著者Vorobiev, S, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-01-04
公開日2013-01-16
最終更新日2013-11-27
実験手法X-RAY DIFFRACTION (2.488 Å)
主引用文献Crystal Structure of the Q7MSS8_WOLSU protein from Wolinella succinogenes.
To be Published
4IF5
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BU of 4if5 by Molmil
Structure of human Mec17
分子名称: ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase, CHLORIDE ION
著者Davenport, A.M, Collins, L, Minor, P, Sternberg, P, Hoelz, A.
登録日2012-12-14
公開日2014-05-28
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Functional Characterization of the alpha-Tubulin Acetyltransferase MEC-17.
J.Mol.Biol., 426, 2014
4IGM
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2.39 Angstrom X-ray Crystal structure of human ACMSD
分子名称: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION
著者Liu, F, Liu, A.
登録日2012-12-17
公開日2014-05-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献2.39 Angstrom X-ray Crystal structure of human ACMSD
To be Published
4IJW
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Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine
分子名称: 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2012-12-23
公開日2014-06-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 5, 2014
4IJU
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Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with (1S,4S)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol
分子名称: (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
著者Sheriff, S.
登録日2012-12-23
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 5, 2014
4IGN
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2.32 Angstrom X-ray Crystal structure of R47A mutant of human ACMSD
分子名称: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION
著者Liu, F, Liu, A.
登録日2012-12-17
公開日2014-05-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.329 Å)
主引用文献Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
4ILO
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BU of 4ilo by Molmil
2.12A resolution structure of CT398 from Chlamydia trachomatis
分子名称: 1,2-ETHANEDIOL, CT398, ZINC ION
著者Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2012-12-31
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献2.12A resolution structure of CT398 from Chlamydia trachomatis
To be Published
4H2A
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BU of 4h2a by Molmil
Crystal structure of wild type protective antigen to 1.62 A (pH 7.5)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Protective antigen
著者Baker, P.J, Sorrell, F.J.
登録日2012-09-12
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of wild type protective antigen to 1.62 A (pH 7.5)
TO BE PUBLISHED
4H9D
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BU of 4h9d by Molmil
Crystal Structure of Mn-dependent Gme HNH nicking endonuclease from Geobacter metallireducens GS-15, Northeast Structural Genomics Consortium (NESG) Target GmR87
分子名称: HNH endonuclease, MAGNESIUM ION, ZINC ION
著者Kuzin, A, Chen, Y, Seetharaman, J, Fang, F, Xiao, R, Cunningham, K, Ma, L, Owens, L, Chen, C.X, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2012-09-24
公開日2012-10-10
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Northeast Structural Genomics Consortium Target GmR87
To be Published
4H3A
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Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1330
分子名称: (2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HCA
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DNA binding by GATA transcription factor-complex 1
分子名称: DNA (5'-D(*AP*AP*TP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*CP*G)-3'), DNA (5'-D(*TP*TP*CP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*A)-3'), Trans-acting T-cell-specific transcription factor GATA-3, ...
著者Chen, Y, Bates, D.L, Dey, R, Chen, L.
登録日2012-09-28
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献DNA Binding by GATA Transcription Factor Suggests Mechanisms of DNA Looping and Long-Range Gene Regulation.
Cell Rep, 2, 2012
4GQ7
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BU of 4gq7 by Molmil
Crystal structure of Lg-Flo1p
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Flocculin
著者Sim, L, Groes, M, Olesen, K, Henriksen, A.
登録日2012-08-22
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural and biochemical characterization of the N-terminal domain of flocculin Lg-Flo1p from Saccharomyces pastorianus reveals a unique specificity for phosphorylated mannose.
Febs J., 280, 2013
4GSG
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BU of 4gsg by Molmil
DNA Holliday junction stabilized by chlorine halogen bond. Cl1J construct of related reference.
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(UCL)P*CP*GP*G)-3')
著者Ho, P.S, Carter, M.
登録日2012-08-27
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Biochemistry, 52, 2013
4H2O
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BU of 4h2o by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1248
分子名称: 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GQC
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BU of 4gqc by Molmil
Crystal Structure of Aeropyrum pernix Peroxiredoxin Q Enzyme in Fully-Folded and Locally-Unfolded Conformations
分子名称: DITHIANE DIOL, GLYCEROL, SULFATE ION, ...
著者Perkins, A, Karplus, P.A, Gretes, M.C, Nelson, K.J, Poole, L.B.
登録日2012-08-22
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the Active Site Helix-to-Strand Conversion of CxxxxC Peroxiredoxin Q Enzymes.
Biochemistry, 51, 2012
4HA6
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Crystal structure of pyridoxine 4-oxidase - pyridoxamine complex
分子名称: 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Mugo, A.N, Kobayashi, J, Mikami, B, Yagi, T.
登録日2012-09-25
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Crystal structure of pyridoxine 4-oxidase from Mesorhizobium loti.
Biochim.Biophys.Acta, 1834, 2013
4H54
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Crystal structure of the diguanylate cyclase DgcZ
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate cyclase YdeH, GUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ...
著者Zaehringer, F, Schirmer, T.
登録日2012-09-18
公開日2013-07-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structure and signaling mechanism of a zinc-sensory diguanylate cyclase.
Structure, 21, 2013
4HC9
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DNA binding by GATA transcription factor-complex 3
分子名称: DNA (5'-D(*AP*AP*GP*GP*TP*TP*AP*TP*CP*TP*CP*TP*GP*AP*TP*TP*TP*AP*GP*G)-3'), DNA (5'-D(*TP*TP*CP*CP*TP*AP*AP*AP*TP*CP*AP*GP*AP*GP*AP*TP*AP*AP*CP*C)-3'), Trans-acting T-cell-specific transcription factor GATA-3, ...
著者Chen, Y, Bates, D.L, Dey, R, Chen, L.
登録日2012-09-28
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DNA Binding by GATA Transcription Factor Suggests Mechanisms of DNA Looping and Long-Range Gene Regulation.
Cell Rep, 2, 2012
4H38
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Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1297
分子名称: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4J21
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Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
分子名称: 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
著者Jansson, A.E, Larsson, E.A, Nordlund, P.L.
登録日2013-02-04
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J3L
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Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
分子名称: 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ...
著者Jansson, A.E, Larsson, E.A, Nordlund, P.L.
登録日2013-02-05
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013

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