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5VSZ
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BU of 5vsz by Molmil
Structure of the Ubl domain of Sacsin mutant L78M
分子名称: Sacsin
著者Trempe, J.-F, Pande, H, Shenker, S, Gehring, K.
登録日2017-05-15
公開日2017-05-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
4J95
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BU of 4j95 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Pathogenic K659N Mutation Responsible for an Unclassified Craniosynostosis Syndrome in Space Group C2.
分子名称: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
著者Chen, H, Mohammadi, M.
登録日2013-02-15
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3767 Å)
主引用文献Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
4J98
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BU of 4j98 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Gain-of-Function K659Q Mutation.
分子名称: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
著者Huang, Z, Chen, H, Mohammadi, M.
登録日2013-02-15
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3067 Å)
主引用文献Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
4JQE
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BU of 4jqe by Molmil
Crystal structure of scCK2 alpha in complex with AMPPN
分子名称: Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Liu, H.
登録日2013-03-20
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
5W21
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BU of 5w21 by Molmil
Crystal Structure of a 1:1:1 FGF23-FGFR1c-aKlotho Ternary Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibroblast growth factor 23, Fibroblast growth factor receptor 1, ...
著者Mohammadi, M.
登録日2017-06-05
公開日2018-01-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献alpha-Klotho is a non-enzymatic molecular scaffold for FGF23 hormone signalling.
Nature, 553, 2018
4HCV
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BU of 4hcv by Molmil
Crystal structure of ITK in complex with compound 53
分子名称: 3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.
登録日2012-10-01
公開日2012-11-14
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.
J.Med.Chem., 55, 2012
4QQJ
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BU of 4qqj by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain Harboring the V550L Gate-Keeper Mutation
分子名称: Fibroblast growth factor receptor 4, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-27
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.682 Å)
主引用文献DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors.
Acs Chem.Biol., 10, 2015
4QQT
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BU of 4qqt by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Tyrosine Kinase Domain
分子名称: Fibroblast growth factor receptor 4, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-29
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors.
Acs Chem.Biol., 10, 2015
4TOT
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BU of 4tot by Molmil
Crystal structure of rat cyclophilin D in complex with a potent nonimmunosuppressive inhibitor
分子名称: HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ...
著者Knapp, M.S, Elling, R.A.
登録日2014-06-06
公開日2014-11-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition.
J.Med.Chem., 57, 2014
4RO1
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BU of 4ro1 by Molmil
An 3'-5'-exoribonuclease that specifically recognizes RNAs.
分子名称: DIS3-like exonuclease 2
著者Lv, H, Zhu, Y, Teng, M.
登録日2014-10-27
公開日2015-06-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Structural analysis of Dis3l2, an exosome-independent exonuclease from Schizosaccharomyces pombe.
Acta Crystallogr.,Sect.D, 71, 2015
8XV8
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BU of 8xv8 by Molmil
Crystal structure of PHD domain of UHRF1 in complex with hStella peptide (residues 75-121)
分子名称: Developmental pluripotency-associated protein 3, E3 ubiquitin-protein ligase UHRF1, ZINC ION
著者Du, X, Gan, Q, Xu, J, Liu, J.
登録日2024-01-14
公開日2024-11-06
最終更新日2025-02-19
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Defining ortholog-specific UHRF1 inhibition by STELLA for cancer therapy.
Nat Commun, 16, 2025
5V45
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BU of 5v45 by Molmil
Crystal structure of the F270M, K291M, L318M mutant of SR1 domain of human sacsin
分子名称: Sacsin
著者Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
7BRC
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BU of 7brc by Molmil
Crystal structure of the TMK3 LRR domain
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, Receptor-like kinase TMK3
著者Chen, H, Kong, Y.Q, Chen, J, Li, L, Li, X.S, Yu, F, Ming, Z.H.
登録日2020-03-27
公開日2020-08-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of the extracellular domain of the receptor-like kinase TMK3 from Arabidopsis thaliana.
Acta Crystallogr.,Sect.F, 76, 2020
5V46
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BU of 5v46 by Molmil
Crystal structure of the I113M, F270M, K291M, L308M mutant of SR1 domain of human sacsin
分子名称: Sacsin
著者Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
4K60
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BU of 4k60 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K2Y
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BU of 4k2y by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-09
公開日2013-05-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K33
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BU of 4k33 by Molmil
Crystal Structure of FGF Receptor 3 (FGFR3) Kinase Domain Harboring the K650E Mutation, a Gain-of-Function Mutation Responsible for Thanatophoric Dysplasia Type II and Spermatocytic Seminoma
分子名称: Fibroblast growth factor receptor 3, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Huang, Z, Chen, H, Mohammadi, M.
登録日2013-04-10
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3405 Å)
主引用文献Structural Mimicry of A-Loop Tyrosine Phosphorylation by a Pathogenic FGF Receptor 3 Mutation.
Structure, 21, 2013
4QRC
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BU of 4qrc by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 4 in Complex with Ponatinib
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Fibroblast growth factor receptor 4, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-30
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors.
Acs Chem.Biol., 10, 2015
4J97
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BU of 4j97 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Pathogenic Gain-of-Function K659E Mutation Identified in Endometrial Cancer.
分子名称: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
著者Chen, H, Mohammadi, M.
登録日2013-02-15
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5482 Å)
主引用文献Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
4HXW
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BU of 4hxw by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
著者Bensen, D.C, Trzoss, M, Tari, L.W.
登録日2012-11-12
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HYM
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BU of 4hym by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, Topoisomerase IV, subunit B
著者Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
登録日2012-11-13
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
5UN5
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BU of 5un5 by Molmil
Frizzled-8 complex with designed surrogate Wnt agonist, crystal form 1
分子名称: Designed Wnt agonist B12, Frizzled-8
著者Janda, C.Y, Garcia, K.C.
登録日2017-01-30
公開日2017-05-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献Surrogate Wnt agonists that phenocopy canonical Wnt and beta-catenin signalling.
Nature, 545, 2017
5WSH
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BU of 5wsh by Molmil
Structure of HLA-A2 P130
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ...
著者Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S.
登録日2016-12-07
公開日2017-12-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress.
J. Virol., 92, 2018
7EEI
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BU of 7eei by Molmil
Structure of Rift Valley fever virus RNA-dependent RNA polymerase
分子名称: Replicase
著者Wang, X, Hu, C.X.
登録日2021-03-18
公開日2021-11-17
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of Rift Valley Fever Virus RNA-Dependent RNA Polymerase.
J.Virol., 96, 2022
4K5Z
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BU of 4k5z by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013

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