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5VSZ
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BU of 5vsz by Molmil
Structure of the Ubl domain of Sacsin mutant L78M
Descriptor: Sacsin
Authors:Trempe, J.-F, Pande, H, Shenker, S, Gehring, K.
Deposit date:2017-05-15
Release date:2017-05-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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.
Descriptor: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3767 Å)
Cite: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.
Descriptor: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Huang, Z, Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3067 Å)
Cite: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
Descriptor: Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Liu, H.
Deposit date:2013-03-20
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibroblast growth factor 23, Fibroblast growth factor receptor 1, ...
Authors:Mohammadi, M.
Deposit date:2017-06-05
Release date:2018-01-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 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
Authors:Han, S, Caspers, N.
Deposit date:2012-10-01
Release date:2012-11-14
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite: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
Descriptor: Fibroblast growth factor receptor 4, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-27
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.682 Å)
Cite: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
Descriptor: Fibroblast growth factor receptor 4, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-29
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.501 Å)
Cite: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
Descriptor: HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ...
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2014-06-06
Release date:2014-11-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.39 Å)
Cite: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.
Descriptor: DIS3-like exonuclease 2
Authors:Lv, H, Zhu, Y, Teng, M.
Deposit date:2014-10-27
Release date:2015-06-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.803 Å)
Cite: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)
Descriptor: Developmental pluripotency-associated protein 3, E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Du, X, Gan, Q, Xu, J, Liu, J.
Deposit date:2024-01-14
Release date:2024-11-06
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Sacsin
Authors:Menade, M, Kozlov, G, Gehring, K.
Deposit date:2017-03-08
Release date:2017-05-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: 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
Authors:Chen, H, Kong, Y.Q, Chen, J, Li, L, Li, X.S, Yu, F, Ming, Z.H.
Deposit date:2020-03-27
Release date:2020-08-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.06 Å)
Cite: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
Descriptor: Sacsin
Authors:Menade, M, Kozlov, G, Gehring, K.
Deposit date:2017-03-08
Release date:2017-05-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-09
Release date:2013-05-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Fibroblast growth factor receptor 3, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Huang, Z, Chen, H, Mohammadi, M.
Deposit date:2013-04-10
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3405 Å)
Cite: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
Descriptor: 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
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-30
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite: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.
Descriptor: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5482 Å)
Cite: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.
Descriptor: (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
Authors:Bensen, D.C, Trzoss, M, Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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.
Descriptor: 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
Authors:Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
Deposit date:2012-11-13
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Designed Wnt agonist B12, Frizzled-8
Authors:Janda, C.Y, Garcia, K.C.
Deposit date:2017-01-30
Release date:2017-05-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.994 Å)
Cite: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
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ...
Authors:Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S.
Deposit date:2016-12-07
Release date:2017-12-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Replicase
Authors:Wang, X, Hu, C.X.
Deposit date:2021-03-18
Release date:2021-11-17
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013

238582

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