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4WA7
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Crystal Structure of a GDP-bound Q61L Oncogenic Mutant of Human GT- Pase KRas
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D.
Deposit date:2014-08-28
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
4ZUX
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BU of 4zux by Molmil
SAGA DUB module Ubp8/Sgf11/Sus1/Sgf73 bound to ubiqitinated nucleosome
Descriptor: DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Morgan, M, Wolberger, C.
Deposit date:2015-05-17
Release date:2016-02-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (3.82 Å)
Cite:Structural basis for histone H2B deubiquitination by the SAGA DUB module.
Science, 351, 2016
4WDA
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BU of 4wda by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P296G, complexed with 2'-AMP
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4WC9
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BU of 4wc9 by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235L
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
5HUZ
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BU of 5huz by Molmil
Solution structure of coiled coil domain of myosin binding subunit of myosin light chain phosphatase
Descriptor: Protein phosphatase 1 regulatory subunit 12A
Authors:Sharma, A.K, Birrane, G, Anklin, C, Rigby, A.C, Pollak, M, Alper, S.L.
Deposit date:2016-01-27
Release date:2016-03-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:To be published
To Be Published
4PQP
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BU of 4pqp by Molmil
Crystal structure of human SNX14 PX domain in space group P43212
Descriptor: GLYCEROL, Sorting nexin-14
Authors:Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B.
Deposit date:2014-03-03
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling.
J.Biol.Chem., 289, 2014
4US0
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BU of 4us0 by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, GTPase HRas, Son of sevenless homolog 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4PP6
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BU of 4pp6 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, RESVERATROL
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W.
Deposit date:2014-02-26
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
5AEJ
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BU of 5aej by Molmil
Crystal structure of human Gremlin-1
Descriptor: GREMLIN-1, SULFATE ION
Authors:Kisonaite, M, Hyvonen, M.
Deposit date:2015-08-31
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Structure of Gremlin-1 and Analysis of its Interaction with Bmp-2.
Biochem.J., 473, 2016
4PSI
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BU of 4psi by Molmil
PIH1D1/phospho-Tel2 complex
Descriptor: PIH1 domain-containing protein 1, Telomere length regulation protein TEL2 homolog
Authors:Smerdon, S.J, Boulton, S.J, Stach, L, Flower, T.G, Horejsi, Z.
Deposit date:2014-03-07
Release date:2014-04-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Phosphorylation-Dependent PIH1D1 Interactions Define Substrate Specificity of the R2TP Cochaperone Complex.
Cell Rep, 7, 2014
5A1I
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BU of 5a1i by Molmil
The structure of Human MAT2A in complex with SAM, Adenosine, Methionine and PPNP.
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ADENOSINE, ...
Authors:Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L.
Deposit date:2015-04-30
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes.
Proc.Natl.Acad.Sci.USA, 113, 2016
5I4Z
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BU of 5i4z by Molmil
Structure of apo OmoMYC
Descriptor: CHLORIDE ION, GLYCEROL, Myc proto-oncogene protein, ...
Authors:Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C.
Deposit date:2016-02-13
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Oncogene, 36, 2017
4PES
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BU of 4pes by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
Descriptor: Ala-Ala-Ala, Insulin-degrading enzyme, ZINC ION, ...
Authors:Wang, Y, Guo, S.
Deposit date:2014-04-24
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of IDE complexed with an inhibitor
To Be Published
5I0X
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BU of 5i0x by Molmil
COPPER-BOUND M90I VARIANT OF UROPATHOGENIC ESCHERICHIA COLI STRAIN F11 FETP
Descriptor: COPPER (II) ION, Periplasmic protein-probably involved in high-affinity Fe2+ transport
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2016-02-04
Release date:2017-02-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A copper site is required for iron transport by the periplasmic proteins P19 and FetP.
Metallomics, 12, 2020
4P7I
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BU of 4p7i by Molmil
Crystal structure of the Merlin FERM/DCAF1 complex
Descriptor: GLYCEROL, Merlin, Protein VPRBP
Authors:Wei, Z, Li, Y, Zhang, M.
Deposit date:2014-03-27
Release date:2014-04-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of the binding of Merlin FERM domain to the E3 ubiquitin ligase substrate adaptor DCAF1.
J.Biol.Chem., 289, 2014
4P9T
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BU of 4p9t by Molmil
Structure of the free form of the N-terminal VH1 domain of monomeric alpha-catenin
Descriptor: 1,2-ETHANEDIOL, Catenin alpha-2, DI(HYDROXYETHYL)ETHER, ...
Authors:Shibahara, T, Hirano, Y, Hakoshima, T.
Deposit date:2014-04-04
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the free form of the N-terminal VH1 domain of monomeric alpha-catenin.
Febs Lett., 589, 2015
5ICS
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BU of 5ics by Molmil
Crystal structure of 17beta-hydroxysteroid dehydrogenase type 14 apoenzyme.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14
Authors:Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-02-23
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
4URZ
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BU of 4urz by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 1-[(4-aminophenyl)sulfonyl]piperidin-2-one, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URX
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BU of 4urx by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 1-(4-bromobenzyl)pyrrolidine, 6-bromo-1H-indole, FORMIC ACID, ...
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UVA
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BU of 4uva by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S)
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4PNM
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BU of 4pnm by Molmil
Crystal Structure of human Tankyrase 2 in complex with Nu1025.
Descriptor: 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-23
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
5AKU
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BU of 5aku by Molmil
Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2, 3,4-tetrahydroquinazolin-4-one
Descriptor: 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Lehtio, L.
Deposit date:2015-03-05
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
4V2E
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BU of 4v2e by Molmil
FLRT3 LRR domain
Descriptor: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 3
Authors:Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
Deposit date:2014-10-08
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development.
Neuron, 84, 2014
5AJW
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BU of 5ajw by Molmil
Human PFKFB3 in complex with an indole inhibitor 2
Descriptor: 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5I2Q
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Structure of EF-hand containing protein
Descriptor: CALCIUM ION, EF-hand domain-containing protein D2
Authors:Park, K.R, Kwon, M.S, An, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Kang, J.Y, Kim, T.G, Lim, J.J, Park, J.S, Lee, S.H, Song, W.K, Cheong, H, Jun, C, Eom, S.H.
Deposit date:2016-02-09
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Structural implications of Ca(2+)-dependent actin-bundling function of human EFhd2/Swiprosin-1.
Sci Rep, 6, 2016

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