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3PJP
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BU of 3pjp by Molmil
A Tandem SH2 Domain in Transcription Elongation Factor Spt6 Binds the Phosphorylated RNA Polymerase II C-terminal Repeat Domain(CTD)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Transcription elongation factor SPT6
著者Sun, M, Lariviere, L, Dengl, S, Mayer, A, Cramer, P.
登録日2010-11-10
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A tandem SH2 domain in transcription elongation factor Spt6 binds the phosphorylated RNA polymerase II C-terminal repeat domain (CTD).
J.Biol.Chem., 285, 2010
3GT4
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Structure of proteinase K with the magic triangle I3C
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, SULFATE ION, proteinase K
著者Beck, T, Gruene, T, Sheldrick, G.M.
登録日2009-03-27
公開日2009-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The magic triangle goes MAD: experimental phasing with a bromine derivative
Acta Crystallogr.,Sect.D, 66, 2010
3H0C
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BU of 3h0c by Molmil
Crystal Structure of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
著者Nordhoff, S, Cerezo-Galvez, S, Deppe, H, Hill, O, Lopez-Canet, M, Rummey, C, Thiemann, M, Matassa, V.G, Edwards, P.J, Feurer, A.
登録日2009-04-09
公開日2009-06-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Discovery of b-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV
To be Published
3PNT
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BU of 3pnt by Molmil
Crystal Structure of the Streptococcus pyogenes NAD+ glycohydrolase SPN in complex with IFS, the Immunity Factor for SPN
分子名称: Immunity factor for SPN, NAD+-glycohydrolase
著者Smith, C.L, Stine Elam, J, Ellenberger, T, Ghosh, J, Pinkner, J.S, Hultgren, S.J, Caparon, M.G.
登録日2010-11-19
公開日2011-03-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of Streptococcus pyogenes Immunity to Its NAD(+) Glycohydrolase Toxin.
Structure, 19, 2011
3H2S
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BU of 3h2s by Molmil
Crystal Structure of the Q03B84 Protein from Lactobacillus casei. Northeast Structural Genomics Consortium Target LcR19.
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative NADH-flavin reductase
著者Vorobiev, S, Lew, S, Seetharaman, J, Wang, D, Ciccosanti, C, Sahdev, S, Acton, T.B, Xiao, R, Everett, J, Nair, R, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-04-14
公開日2009-04-28
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of the Q03B84 protein from Lactobacillus casei.
To be Published
3Q4R
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BU of 3q4r by Molmil
Crystal Structure of a deletion mutant(11-185) of hypothetical protein MJ0754 with Zn2+
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Uncharacterized protein MJ0754, ZINC ION
著者Hwang, K.Y, Lee, E.H.
登録日2010-12-24
公開日2011-05-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the metal binding properties of hypothetical protein MJ0754 from Methanococcus jannaschii.
Proteins, 79, 2011
3Q58
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BU of 3q58 by Molmil
Structure of N-acetylmannosamine-6-Phosphate Epimerase from Salmonella enterica
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-12-27
公開日2011-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献

3PUT
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BU of 3put by Molmil
Crystal Structure of the CERT START domain (mutant V151E) from Rhizobium etli at the resolution 1.8A, Northeast Structural Genomics Consortium Target ReR239.
分子名称: HEXANE-1,6-DIOL, Hypothetical conserved protein
著者Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-12-06
公開日2010-12-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Crystal Structure of the CERT START domain (mutant V151E) from Rhizobium etli at the resolution 1.8A, Northeast Structural Genomics Consortium Target ReR239.
To be Published
4K0C
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BU of 4k0c by Molmil
Crystal Structure of the computationally designed serine hydrolase. Northeast Structural Genomics Consortium (NESG) Target OR317
分子名称: designed serine hydrolase
著者Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-04-03
公開日2013-04-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Northeast Structural Genomics Consortium Target OR317
To be Published
4JZE
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BU of 4jze by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
7AAX
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BU of 7aax by Molmil
Crystal structure of MerTK kinase domain in complex with LDC1267
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide
著者Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
7AB0
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BU of 7ab0 by Molmil
Apo crystal structure of the MerTK kinase domain
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
4JZD
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BU of 4jzd by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Jacobson, B.L, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
4K13
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BU of 4k13 by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Biswas, S, McKenna, R.
登録日2013-04-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
7A8G
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BU of 7a8g by Molmil
rsGreen0.7-K206A-H148G in the green-on state
分子名称: Green fluorescent protein, TRIETHYLENE GLYCOL
著者De Zitter, E, Dedecker, P, Van Meervelt, L.
登録日2020-08-30
公開日2021-02-17
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
4K86
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BU of 4k86 by Molmil
Crystal structure of human prolyl-tRNA synthetase (apo form)
分子名称: Proline--tRNA ligase, ZINC ION
著者Hwang, K.Y, Son, J.H, Lee, E.H.
登録日2013-04-18
公開日2013-10-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone.
Acta Crystallogr.,Sect.D, 69, 2013
7A86
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rsGreen0.7-K206A-F145L partially in the green-off state
分子名称: Green fluorescent protein, TRIETHYLENE GLYCOL
著者De Zitter, E, Dedecker, P, Van Meervelt, L.
登録日2020-08-30
公開日2021-02-17
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
4K5P
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BU of 4k5p by Molmil
Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者McGowan, S.
登録日2013-04-15
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum.
J.Med.Chem., 56, 2013
4KAA
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Crystal structure of the halotag2 protein at the resolution 2.3A, Northeast Structural Genomics Consortium (NESG) target OR150
分子名称: DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, SODIUM ION
著者Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-04-22
公開日2013-06-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.276 Å)
主引用文献Northeast Structural Genomics Consortium Target OR150
To be Published
7A7O
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BU of 7a7o by Molmil
rsGreen0.7-K206A in the green-on state
分子名称: Green fluorescent protein
著者De Zitter, E, Dedecker, P, Van Meervelt, L.
登録日2020-08-30
公開日2021-02-17
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7A83
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BU of 7a83 by Molmil
rsGreen0.7-K206A-F145H in the green-on-state
分子名称: Green fluorescent protein, TRIETHYLENE GLYCOL
著者De Zitter, E, Dedecker, P, Van Meervelt, L.
登録日2020-08-30
公開日2021-02-17
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7SHW
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BU of 7shw by Molmil
Crystal structure of Mycobacterium smegmatis LmcA with xenon
分子名称: GLYCEROL, LmcA, XENON
著者Patel, O, Lucet, I, Panjikar, S.
登録日2021-10-11
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of the putative cell-wall lipoglycan biosynthesis protein LmcA from Mycobacterium smegmatis.
Acta Crystallogr D Struct Biol, 78, 2022
4KES
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BU of 4kes by Molmil
Crystal structure of SsoPox W263T
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Gotthard, G, Hiblot, J, Chabriere, E, Elias, M.
登録日2013-04-26
公開日2013-10-02
最終更新日2013-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
4KIJ
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Design and structural analysis of aromatic inhibitors of type II dehydroquinase dehydratase from Mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid]
分子名称: 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid, 3-dehydroquinate dehydratase, CHLORIDE ION
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-02
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015
4KI7
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Design and structural analysis of aromatic inhibitors of type II dehydroquinase from Mycobacterium tuberculosis - compound 41c [3-hydroxy-5-(3-nitrophenoxy)benzoic acid]
分子名称: 3-dehydroquinate dehydratase, 3-hydroxy-5-(3-nitrophenoxy)benzoic acid
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-01
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015

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