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2K3A
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BU of 2k3a by Molmil
NMR solution structure of Staphylococcus saprophyticus CHAP (cysteine, histidine-dependent amidohydrolases/peptidases) domain protein. Northeast Structural Genomics Consortium target SyR11
分子名称: CHAP domain protein
著者Rossi, P, Aramini, J.M, Chen, C.X, Nwosu, C, Cunningham, K.C, Owens, L.A, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2008-04-29
公開日2008-05-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural elucidation of the Cys-His-Glu-Asn proteolytic relay in the secreted CHAP domain enzyme from the human pathogen Staphylococcus saprophyticus.
Proteins, 74, 2008
7LP0
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BU of 7lp0 by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077
分子名称: 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, DIMETHYL SULFOXIDE, ...
著者Chan, A, Schonbrunn, E.
登録日2021-02-11
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LRK
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BU of 7lrk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2021-02-16
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LPK
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BU of 7lpk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2021-02-12
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LRO
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BU of 7lro by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105
分子名称: 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ...
著者Chan, A, Schonbrunn, E.
登録日2021-02-17
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
2YCM
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BU of 2ycm by Molmil
Inhibitors of herbicidal target IspD
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID, ...
著者Hoeffken, H.W.
登録日2011-03-16
公開日2011-08-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
5L0T
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BU of 5l0t by Molmil
human POGLUT1 in complex with EGF(+) and UDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Li, Z, Rini, J.M.
登録日2016-07-28
公開日2017-08-09
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
5L0U
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BU of 5l0u by Molmil
human POGLUT1 in complex with EGF(+) and UDP-phosphono-glucose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EGF(+), ...
著者Li, Z, Rini, J.M.
登録日2016-07-28
公開日2017-08-09
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
5L0V
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BU of 5l0v by Molmil
human POGLUT1 in complex with 2F-glucose modified EGF(+) and UDP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-fluoro-beta-D-glucopyranose, ...
著者Li, Z, Rini, J.M.
登録日2016-07-28
公開日2017-08-09
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
5L0S
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BU of 5l0s by Molmil
human POGLUT1 in complex with Factor VII EGF1 and UDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Li, Z, Rini, J.M.
登録日2016-07-28
公開日2017-08-09
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
5L0R
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BU of 5l0r by Molmil
human POGLUT1 in complex with Notch1 EGF12 and UDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Li, Z, Rini, J.M.
登録日2016-07-28
公開日2017-08-09
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
2YC5
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BU of 2yc5 by Molmil
Inhibitors of the herbicidal target IspD
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ...
著者Hoeffken, H.W.
登録日2011-03-11
公開日2011-08-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
2YC3
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BU of 2yc3 by Molmil
Inhibitors of the herbicidal target IspD
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ...
著者Hoeffken, H.W.
登録日2011-03-11
公開日2011-08-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
1ZCE
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BU of 1zce by Molmil
X-Ray Crystal Structure of Protein Atu2648 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR33.
分子名称: hypothetical protein Atu2648
著者Forouhar, F, Chen, Y, Conover, K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-04-11
公開日2005-04-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural genomics reveals EVE as a new ASCH/PUA-related domain.
Proteins, 75, 2009
1NAS
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BU of 1nas by Molmil
SEPIAPTERIN REDUCTASE COMPLEXED WITH N-ACETYL SEROTONIN
分子名称: N-ACETYL SEROTONIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, ...
著者Auerbach, G, Herrmann, A, Bacher, A, Huber, R.
登録日1998-03-26
公開日1999-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997
2JVW
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BU of 2jvw by Molmil
Solution NMR structure of uncharacterized protein Q5E7H1 from Vibrio fischeri. Northeast Structural Genomics target VfR117
分子名称: Uncharacterized protein
著者Aramini, J.M, Rossi, P, Wang, D, Nwosu, C, Owens, L.A, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2007-09-26
公開日2007-10-16
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structure of VF0530 from Vibrio fischeri reveals a nucleic acid-binding function.
Proteins, 79, 2011
7RWN
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BU of 7rwn by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF
著者Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RWQ
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BU of 7rwq by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one
分子名称: 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF
著者Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RWP
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BU of 7rwp by Molmil
Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one
分子名称: 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF
著者Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RWO
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BU of 7rwo by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF
著者Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
1IEZ
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BU of 1iez by Molmil
Solution Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase of Riboflavin Biosynthesis
分子名称: 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase
著者Kelly, M.J.S, Ball, L.J, Kuhne, R, Bacher, A, Oschkinat, H.
登録日2001-04-11
公開日2001-11-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The NMR structure of the 47-kDa dimeric enzyme 3,4-dihydroxy-2-butanone-4-phosphate synthase and ligand binding studies reveal the location of the active site.
Proc.Natl.Acad.Sci.USA, 98, 2001
2GG4
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BU of 2gg4 by Molmil
CP4 EPSP synthase (unliganded)
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase
著者Schonbrunn, E, Funke, T.
登録日2006-03-23
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GGD
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BU of 2ggd by Molmil
CP4 EPSP synthase Ala100Gly liganded with S3P and Glyphosate
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, GLYPHOSATE, SHIKIMATE-3-PHOSPHATE
著者Schonbrunn, E, Funke, T.
登録日2006-03-23
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GG6
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BU of 2gg6 by Molmil
CP4 EPSP synthase liganded with S3P
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, SHIKIMATE-3-PHOSPHATE, SULFATE ION
著者Schonbrunn, E, Funke, T.
登録日2006-03-23
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GGA
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BU of 2gga by Molmil
CP4 EPSP synthase liganded with S3P and Glyphosate
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, GLYPHOSATE, SHIKIMATE-3-PHOSPHATE
著者Schonbrunn, E, Funke, T.
登録日2006-03-23
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis for the herbicide resistance of Roundup Ready crops.
Proc.Natl.Acad.Sci.Usa, 103, 2006

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