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2X2A
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BU of 2x2a by Molmil
Free acetyl-CypA trigonal form
分子名称: GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, SULFATE ION
著者Lammers, M, Neumann, H, Chin, J.W, James, L.C.
登録日2010-01-12
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization.
Nat.Chem.Biol., 6, 2010
4KTT
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BU of 4ktt by Molmil
Structural insights of MAT enzymes: MATa2b complexed with SAM
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Methionine adenosyltransferase 2 subunit beta, ...
著者Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L.
登録日2013-05-21
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure and function study of the complex that synthesizes S-adenosylmethionine.
IUCrJ, 1, 2014
4KXV
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BU of 4kxv by Molmil
Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, D-XYLITOL-5-PHOSPHATE, ...
著者Neumann, P, Luedtke, S, Ficner, R, Tittmann, K.
登録日2013-05-28
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
5LW9
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BU of 5lw9 by Molmil
Crystal structure of human JARID1B in complex with S40563a
分子名称: 1,2-ETHANEDIOL, 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K.
登録日2016-09-15
公開日2016-09-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human JARID1B in complex with S40563a
to be published
2XAQ
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BU of 2xaq by Molmil
Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2584, 13b)
分子名称: 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
著者Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A.
登録日2010-03-31
公開日2010-05-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
2X81
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BU of 2x81 by Molmil
STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054
分子名称: 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6
著者Savory, W, Mueller, I, Mason, C.S, Lamers, M, Williams, D.H, Eyers, P.A.
登録日2010-03-05
公開日2010-05-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Drug-Resistant Aurora a Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors Mln8054 and Mln8237.
Acs Chem.Biol., 5, 2010
5LPU
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BU of 5lpu by Molmil
Crystal structure of Annexin A2 complexed with S100A4
分子名称: Annexin A2, CALCIUM ION, GLYCEROL, ...
著者Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
登録日2016-08-15
公開日2017-07-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
5LT1
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BU of 5lt1 by Molmil
nucleotide-free kinesin-1 motor domain T92V mutant, P21 crystal form
分子名称: ACETATE ION, Kinesin-like protein, STRONTIUM ION, ...
著者Cao, L, Gigant, B.
登録日2016-09-06
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献The structural switch of nucleotide-free kinesin.
Sci Rep, 7, 2017
4L4R
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BU of 4l4r by Molmil
Structural Characterisation of the Apo-form of Human Lactate Dehydrogenase M Isozyme
分子名称: L-lactate dehydrogenase A chain
著者Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
登録日2013-06-09
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
5LQ0
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BU of 5lq0 by Molmil
Crystal structure of Tyr24 phosphorylated Annexin A2 at 2.9 A resolution
分子名称: Annexin A2, CALCIUM ION
著者Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
登録日2016-08-15
公開日2017-07-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
5LZT
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BU of 5lzt by Molmil
Structure of the mammalian ribosomal termination complex with eRF1 and eRF3.
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
登録日2016-10-02
公開日2016-11-30
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
6YXO
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BU of 6yxo by Molmil
Structure of the N-terminal module of the human SWI/SNF-subunit BAF155/SMARCC1
分子名称: SWI/SNF complex subunit SMARCC1
著者Allen, M.D, Bycroft, M, Zinzalla, G.
登録日2020-05-03
公開日2021-04-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SWI/SNF subunit BAF155 N-terminus structure informs the impact of cancer-associated mutations and reveals a potential drug binding site.
Commun Biol, 4, 2021
6YXP
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BU of 6yxp by Molmil
Higher resolution structure of the N-terminal module of the human SWI/SNF-subunit BAF155/SMARCC1
分子名称: SWI/SNF complex subunit SMARCC1
著者Allen, M.D, Bycroft, M, Zinzalla, G.
登録日2020-05-03
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献SWI/SNF subunit BAF155 N-terminus structure informs the impact of cancer-associated mutations and reveals a potential drug binding site.
Commun Biol, 4, 2021
5LRQ
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BU of 5lrq by Molmil
BRD4 in complex with ERK5 inhibitor XMD8-92
分子名称: 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Martin, M.P, Noble, M.E.M.
登録日2016-08-19
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
5LT3
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BU of 5lt3 by Molmil
nucleotide-free kinesin-1 motor domain T87A mutant, P1 crystal form
分子名称: Kinesin-1 heavy chain, SULFATE ION
著者Cao, L, Gigant, B.
登録日2016-09-06
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The structural switch of nucleotide-free kinesin.
Sci Rep, 7, 2017
4NQA
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BU of 4nqa by Molmil
Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA
分子名称: (9cis)-retinoic acid, 5'-D(*TP*AP*AP*GP*GP*TP*CP*AP*CP*TP*TP*CP*AP*GP*GP*TP*CP*A)-3', 5'-D(*TP*AP*TP*GP*AP*CP*CP*TP*GP*AP*AP*GP*TP*GP*AP*CP*CP*T)-3', ...
著者Lou, X.H, Toresson, G, Benod, C, Suh, J.H, Phillips, K.J, Webb, P, Gustafsson, J.A.
登録日2013-11-24
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structure of the retinoid X receptor alpha-liver X receptor beta (RXR alpha-LXR beta ) heterodimer on DNA.
Nat.Struct.Mol.Biol., 21, 2014
5LXM
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BU of 5lxm by Molmil
Crystal structure of Aurora-A bound to a hydrocarbon-stapled proteomimetic of TPX2
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者McIntyre, P.J, Bayliss, R.
登録日2016-09-22
公開日2016-11-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A TPX2 Proteomimetic Has Enhanced Affinity for Aurora-A Due to Hydrocarbon Stapling of a Helix.
ACS Chem. Biol., 11, 2016
4NUC
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BU of 4nuc by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with MS435 inhibitor
分子名称: 1,2-ETHANEDIOL, 4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Plotnikov, A.N, Joshua, J, Zhou, M.-M.
登録日2013-12-03
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains
J.Med.Chem., 56, 2013
4NS5
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BU of 4ns5 by Molmil
Crystal structure of human BS69 Bromo-Zinc finger-PWWP
分子名称: ZINC ION, Zinc finger MYND domain-containing protein 11
著者Wang, J.C, Qin, S, Li, F.D, Li, S, Zhang, W, Wu, J.H, Shi, Y.Y.
登録日2013-11-28
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human BS69 Bromo-ZnF-PWWP reveals its role in H3K36me3 nucleosome binding.
Cell Res., 24, 2014
2W1E
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BU of 2w1e by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
4NUE
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BU of 4nue by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with MS267 inhibitor
分子名称: 1,2-ETHANEDIOL, 4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Plotnikov, A.N, Joshua, J, Zhou, M.-M.
登録日2013-12-03
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains
J.Med.Chem., 56, 2013
7E9V
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BU of 7e9v by Molmil
The Crystal Structure of human UMP-CMP kinase from Biortus.
分子名称: SULFATE ION, UMP-CMP kinase
著者Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M.
登録日2021-03-05
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of human UMP-CMP kinase from Biortus.
To Be Published
7E0G
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BU of 7e0g by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct
分子名称: GLYCEROL, IMIDAZOLE, Lysine-specific histone demethylase 1A, ...
著者Oki, H.
登録日2021-01-28
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献LSD1 enzyme inhibitor TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models.
Sci Adv, 7, 2021
7DTO
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BU of 7dto by Molmil
Human Annexin A2 with C132-C261 intramolecular disulfide bond
分子名称: Annexin A2
著者He, L.
登録日2021-01-06
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human Annexin A2 with C132-C261 intramolecular disulfide bond
To Be Published
5NTI
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BU of 5nti by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
分子名称: ASN-SER-HIS-GLN-LYS-VAL-THR-LEU-LEU-GLN-LEU-LEU-LEU-GLY-HIS-LYS-ASN-GLU-GLU-ASN, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Nuclear receptor ROR-gamma
著者Kallen, J.
登録日2017-04-28
公開日2017-06-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017

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