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7PFP
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BU of 7pfp by Molmil
Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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, ...
著者Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
登録日2021-08-11
公開日2022-03-16
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
3NSN
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BU of 3nsn by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with TMG-chitotriomycin
分子名称: 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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
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
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
著者White, S.W, Yun, M.
登録日2020-07-31
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
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
3WTD
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BU of 3wtd by Molmil
Structure of PAXX
分子名称: Uncharacterized protein C9orf142
著者Ochi, T, Blundell, T.L.
登録日2014-04-09
公開日2015-01-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献DNA repair. PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair.
Science, 347, 2015
3WTF
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BU of 3wtf by Molmil
Structure of PAXX
分子名称: Uncharacterized protein C9orf142
著者Ochi, T, Blundell, T.L.
登録日2014-04-09
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.451 Å)
主引用文献DNA repair. PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair.
Science, 347, 2015
8KG5
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BU of 8kg5 by Molmil
Prefusion RSV F Bound to Lonafarnib and D25 Fab
分子名称: 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ...
著者Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X.
登録日2023-08-17
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein.
Signal Transduct Target Ther, 9, 2024
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
分子名称: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
著者Mohr, C.
登録日2015-11-10
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
1I51
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BU of 1i51 by Molmil
CRYSTAL STRUCTURE OF CASPASE-7 COMPLEXED WITH XIAP
分子名称: CASPASE-7 SUBUNIT P11, CASPASE-7 SUBUNIT P20, X-LINKED INHIBITOR OF APOPTOSIS PROTEIN
著者Chai, J, Shi, Y.
登録日2001-02-23
公開日2002-02-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis of caspase-7 inhibition by XIAP.
Cell(Cambridge,Mass.), 104, 2001
4XT9
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BU of 4xt9 by Molmil
RORgamma (263-509) complexed with GSK2435341A and SRC2
分子名称: LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Wang, Y, Ma, Y.
登録日2015-01-23
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
8JQK
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BU of 8jqk by Molmil
Crystal structure of a carbonyl reductase SSCR mutant from Sporobolomyces Salmonicolor
分子名称: Aldehyde reductase 2
著者Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M.
登録日2023-06-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
8JQJ
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BU of 8jqj by Molmil
Crystal structure of carbonyl reductase SSCR mutant 1 from Sporobolomyces Salmonicolor
分子名称: Aldehyde reductase 2
著者Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M.
登録日2023-06-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
6LCY
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BU of 6lcy by Molmil
Crystal structure of Synaptotagmin-7 C2B in complex with IP6
分子名称: INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7
著者Zhang, Y, Zhang, X, Rao, F, Wang, C.
登録日2019-11-20
公開日2021-03-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
7R75
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BU of 7r75 by Molmil
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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BU of 7r7l by Molmil
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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BU of 7r7i by Molmil
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
6WYJ
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BU of 6wyj by Molmil
Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate state
分子名称: ASPARTIC ACID, Glutamate transporter homolog
著者Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
登録日2020-05-13
公開日2021-02-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6WYL
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BU of 6wyl by Molmil
Cryo-EM structure of GltPh L152C-G351C mutant in the intermediate outward-facing state.
分子名称: ASPARTIC ACID, Glutamate transporter homolog
著者Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
登録日2020-05-13
公開日2021-02-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6WZB
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BU of 6wzb by Molmil
Crystal structure of the GltPh V216C-G388C mutant cross-linked with divalent mercury
分子名称: ASPARTIC ACID, Glutamate transporter homolog, MERCURY (II) ION, ...
著者Chen, I, Font, J, Ryan, R.
登録日2020-05-13
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6WYK
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BU of 6wyk by Molmil
Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate chloride conducting state.
分子名称: ASPARTIC ACID, Glutamate transporter homolog
著者Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
登録日2020-05-13
公開日2021-02-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6X01
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BU of 6x01 by Molmil
Crystal structure of the GltPh V216C-A391C mutant cross-linked in outward-facing state
分子名称: ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION
著者Chen, I, Font, J, Ryan, R.
登録日2020-05-15
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
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
5TIJ
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BU of 5tij by Molmil
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

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