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3OMW
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BU of 3omw by Molmil
Crystal structure of Ssu72, an essential eukaryotic phosphatase specific for the C-terminal domain of RNA polymerase II
Descriptor: CG14216
Authors:Zhang, Y, Zhang, M, Zhang, Y.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8701 Å)
Cite:Crystal structure of Ssu72, an essential eukaryotic phosphatase specific for the C-terminal domain of RNA polymerase II, in complex with a transition state analogue.
Biochem.J., 434, 2011
4AO8
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BU of 4ao8 by Molmil
PEG-bound complex of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
Descriptor: DI(HYDROXYETHYL)ETHER, ESTERASE
Authors:Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
Deposit date:2012-03-23
Release date:2012-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
5IS4
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BU of 5is4 by Molmil
Endothiapepsin in complex with chiral brominated primary amine fragment
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-03-15
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.368 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
to be published
4XGC
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BU of 4xgc by Molmil
Crystal structure of the eukaryotic origin recognition complex
Descriptor: CHLORIDE ION, Origin recognition complex subunit 1, Origin recognition complex subunit 2, ...
Authors:Bleichert, F, Botchan, M.R, Berger, J.M.
Deposit date:2014-12-30
Release date:2015-04-01
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of the eukaryotic origin recognition complex.
Nature, 519, 2015
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
5H2X
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BU of 5h2x by Molmil
Crystal structure of the karyopherin Kap60p bound to the SUMO protease Ulp1p (150-172)
Descriptor: Importin subunit alpha, Ubiquitin-like-specific protease 1
Authors:Hirano, H, Matsuura, Y.
Deposit date:2016-10-18
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the Karyopherins Kap121p and Kap60p Bound to the Nuclear Pore-Targeting Domain of the SUMO Protease Ulp1p
J. Mol. Biol., 429, 2017
5H2W
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BU of 5h2w by Molmil
Crystal structure of the karyopherin Kap60p bound to the SUMO protease Ulp1p (150-340)
Descriptor: Importin subunit alpha, Ubiquitin-like-specific protease 1
Authors:Hirano, H, Matsuura, Y.
Deposit date:2016-10-18
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the Karyopherins Kap121p and Kap60p Bound to the Nuclear Pore-Targeting Domain of the SUMO Protease Ulp1p
J. Mol. Biol., 429, 2017
5H2V
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BU of 5h2v by Molmil
Crystal structure of the karyopherin Kap121p bound to the SUMO protease Ulp1p
Descriptor: Importin subunit beta-3, Ubiquitin-like-specific protease 1
Authors:Kobayashi, J, Matsuura, Y.
Deposit date:2016-10-18
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the Karyopherins Kap121p and Kap60p Bound to the Nuclear Pore-Targeting Domain of the SUMO Protease Ulp1p
J. Mol. Biol., 429, 2017
4BG4
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BU of 4bg4 by Molmil
Crystal structure of Litopenaeus vannamei arginine kinase in a ternary analog complex with arginine, ADP-Mg and NO3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ARGININE, ARGININE KINASE, ...
Authors:Lopez-Zavala, A.A, Garcia-Orozco, K.D, Carrasco-Miranda, J.S, Sugich-Miranda, R, Velazquez-Contreras, E.F, Criscitiello, M.F, GBrieba, L, Rudino-Pinera, E, Sotelo-Mundo, R.R.
Deposit date:2013-03-22
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of Shrimp Arginine Kinase in Binary Complex with Arginine-A Molecular View of the Phosphagen Precursor Binding to the Enzyme.
J.Bioenerg.Biomembr., 45, 2013
5ISJ
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BU of 5isj by Molmil
Endothiapepsin in complex with chiral chlorinated primary amine fragment
Descriptor: (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-03-15
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
to be published
1YDN
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BU of 1ydn by Molmil
Crystal Structure of the HMG-CoA Lyase from Brucella melitensis, Northeast Structural Genomics Target LR35.
Descriptor: CALCIUM ION, HYDROXYMETHYLGLUTARYL-COA LYASE
Authors:Forouhar, F, Abashidze, M, Hussain, M, Vorobiev, S.M, Xiao, R, Ciano, M, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-12-24
Release date:2005-07-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of two bacterial 3-hydroxy-3-methylglutaryl-CoA lyases suggest a common catalytic mechanism among a family of TIM barrel metalloenzymes cleaving carbon-carbon bonds.
J.Biol.Chem., 281, 2006
5WOC
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BU of 5woc by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
Descriptor: (3-methylphenyl)methanol, SER-PRO-GLU-GLU-ARG-ALA-GLN-LEU-CYS-THR-ALA-ALA-GLU-LYS-ALA-ASP-GLU-LEU-GLY
Authors:Wu, H, Wu, Y, DeGrado, W.F.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4OPP
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BU of 4opp by Molmil
Crystal structure of the ternary complex of camel peptidoglycan recognition protein PGRP-S with 11-cyclohexylundecanoic acid and N- acetylglucosamine at 2.30 A resolution
Descriptor: 11-cyclohexylundecanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Yamini, S, Sharma, P, Yadav, S.P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2014-02-06
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the ternary complex of camel peptidoglycan recognition protein PGRP-S with 11-cyclohexylundecanoic acid and N- acetylglucosamine at 2.30 A resolution
To be Published
4OXS
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BU of 4oxs by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, HEGA-10, Ion transport protein, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-02-06
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
5Y50
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BU of 5y50 by Molmil
Crystal structure of eukaryotic MATE transporter AtDTX14
Descriptor: Protein DETOXIFICATION 14
Authors:Miyauchi, H, Kusakizako, T, Nishizawa, T, Ishitani, R, Nureki, O.
Deposit date:2017-08-06
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for xenobiotic extrusion by eukaryotic MATE transporter
Nat Commun, 8, 2017
5HNE
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BU of 5hne by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR
Descriptor: 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2016-01-18
Release date:2016-05-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
Acs Med.Chem.Lett., 7, 2016
4P30
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BU of 4p30 by Molmil
Structure of NavMS mutant in presence of PI1 compound
Descriptor: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
Authors:Bagneris, C, Naylor, C.E, Wallace, B.A.
Deposit date:2014-03-05
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PA6
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BU of 4pa6 by Molmil
Structure of NavMS pore and C-terminal domain crystallised in the presence of channel blocking compound
Descriptor: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-07
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P2Z
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BU of 4p2z by Molmil
Structure of NavMS T207A/F214A
Descriptor: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
Authors:Bagneris, C, Naylor, C.E, Wallace, B.A.
Deposit date:2014-03-05
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PA4
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BU of 4pa4 by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-07
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
2WMC
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BU of 2wmc by Molmil
Crystal structure of eukaryotic initiation factor 4E from Pisum sativum
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E
Authors:Ashby, J.A, Stevenson, C.E.M, Maule, A.J, Lawson, D.M.
Deposit date:2009-06-30
Release date:2010-09-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Mutational Analysis of Eif4E in Relation to Sbm1 Resistance to Pea Seed-Borne Mosaic Virus in Pea.
Plos One, 6, 2011
4P9P
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BU of 4p9p by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-04
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PA3
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BU of 4pa3 by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-07
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PA9
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BU of 4pa9 by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-07
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P9O
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BU of 4p9o by Molmil
Complex of Voltage-gated ion channel in a the presence of channel blocking compound
Descriptor: BROMIDE ION, HEGA-10, Ion transport protein
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-04
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014

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數據於2024-09-11公開中

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