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3NSM
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BU of 3nsm by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 from Ostrinia furnacalis
分子名称: N-acetylglucosaminidase
著者Zhang, H, Liu, T, Liu, F, Yang, Q, Shen, X.
登録日2010-07-02
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Determinants of an Insect {beta}-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme
J.Biol.Chem., 286, 2011
7MK2
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BU of 7mk2 by Molmil
CryoEM Structure of NPR1
分子名称: Regulatory protein NPR1, ZINC ION
著者Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P.
登録日2021-04-21
公開日2022-03-16
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
6TQL
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Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
登録日2019-12-16
公開日2020-11-04
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
6TQK
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Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, ...
著者Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
登録日2019-12-16
公開日2020-11-04
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
5TIJ
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Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer)
分子名称: ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION
著者Leonard, P.G, Muller, F.L.
登録日2016-10-03
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
5K0M
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BU of 5k0m by Molmil
Targeting the PRC2 complex through a novel protein-protein interaction inhibitor of EED
分子名称: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Bigelow, L.J, Zhu, H, Sun, C.
登録日2016-05-17
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol., 13, 2017
8RD2
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BU of 8rd2 by Molmil
Trypanosoma brucei Invariant Surface Glycoprotein 75 (ISG75)
分子名称: Invariant surface glycoprotein
著者Stodkilde-Jorgensen, K, Mikkelsen, J.H.
登録日2023-12-07
公開日2024-02-14
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Trypanosoma brucei Invariant Surface Glycoprotein 75 Is an Immunoglobulin Fc Receptor Inhibiting Complement Activation and Antibody-Mediated Cellular Phagocytosis.
J Immunol., 212, 2024
6IFE
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BU of 6ife by Molmil
A Glycoside Hydrolase Family 43 beta-Xylosidase
分子名称: Beta-xylosidase, GLYCEROL
著者Li, N, Liu, Y, Zhang, R, Zhou, J.P, Huang, Z.X.
登録日2018-09-20
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Biochemical and structural properties of a low-temperature-active glycoside hydrolase family 43 beta-xylosidase: Activity and instability at high neutral salt concentrations.
Food Chem, 301, 2019
3WB9
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BU of 3wb9 by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBF
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BU of 3wbf by Molmil
Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP
分子名称: 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ...
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-15
公開日2014-03-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBB
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BU of 3wbb by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
6NM3
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BU of 6nm3 by Molmil
NMR structure of WW295
分子名称: WW295 peptide
著者Wang, G, Zarena, D.
登録日2019-01-10
公開日2020-07-15
最終更新日2020-09-09
実験手法SOLUTION NMR
主引用文献Two distinct amphipathic peptide antibiotics with systemic efficacy.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NM4
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BU of 6nm4 by Molmil
Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor
分子名称: 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ...
著者Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-01-10
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of a chemical probe for PRDM9.
Nat Commun, 10, 2019
2G72
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BU of 2g72 by Molmil
Structure of hPNMT with inhibitor 3-fluoromethyl-7-thiomorpholinosulfonamide-THIQ and AdoMet
分子名称: (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE
著者Tyndall, J.D.A, Gee, C.L, Martin, J.L.
登録日2006-02-27
公開日2007-02-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2G70
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Structure of human PNMT in complex with inhibitor 3-hydroxymethyl-7-nitro-THIQ and AdoMet (SAM)
分子名称: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE, ...
著者Tyndall, J.D.A, Gee, C.L, Martin, J.L.
登録日2006-02-27
公開日2007-02-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2G71
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Structure of hPNMT with inhibitor 3-fluoromethyl-7-trifluoropropyl-THIQ and AdoHcy
分子名称: (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, GLYCEROL, Phenylethanolamine N-methyltransferase, ...
著者Tyndall, J.D.A, Gee, C.L, Martin, J.L.
登録日2006-02-27
公開日2007-02-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
7R75
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Structure of human SHP2 in complex with compound 16
分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Cross, J.
登録日2021-06-24
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7D
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BU of 7r7d by Molmil
Structure of human SHP2 in complex with compound 22
分子名称: 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Cross, J.
登録日2021-06-24
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7L
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Structure of human SHP2 in complex with compound 30
分子名称: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Cross, J.
登録日2021-06-24
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7I
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Structure of human SHP2 in complex with compound 27
分子名称: Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
著者Leonard, P.G, Cross, J.
登録日2021-06-24
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7TAE
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BU of 7tae by Molmil
Crystal Structure of the NPR1-Interacting Domain of TGA3
分子名称: GLYCEROL, PALMITIC ACID, Transcription factor TGA3
著者Cheng, J, Zhou, P.
登録日2021-12-20
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
4I5S
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BU of 4i5s by Molmil
Structure and function of sensor histidine kinase
分子名称: Putative histidine kinase CovS; VicK-like protein
著者Cai, Y.
登録日2012-11-28
公開日2013-03-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mechanistic insights revealed by the crystal structure of a histidine kinase with signal transducer and sensor domains
Plos Biol., 11, 2013
2ONZ
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BU of 2onz by Molmil
Structure of K57A hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
分子名称: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2007-01-25
公開日2007-10-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2OPB
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BU of 2opb by Molmil
Structure of K57A hPNMT with inhibitor 3-fluoromethyl-7-thiomorpholinosulfonamide-THIQ and AdoHcy
分子名称: (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2007-01-28
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase.
J.Med.Chem., 50, 2007
2ONY
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Structure of hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
分子名称: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2007-01-24
公開日2007-10-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007

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