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2RUC
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BU of 2ruc by Molmil
Solution structure of the peptidyl prolyl cis-trans isomerase domain of human Pin1 with sulfate ion
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Xu, N, Tamari, Y, Tochio, N, Tate, S.
Deposit date:2014-03-25
Release date:2014-12-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The C113D mutation in human Pin1 causes allosteric structural changes in the phosphate binding pocket of the PPIase domain through the tug of war in the dual-histidine motif.
Biochemistry, 53, 2014
2RUD
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BU of 2rud by Molmil
Solution structure of the peptidyl prolyl cis-trans isomerase domain of C113D mutant human Pin1 with sulfate ion
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Xu, N, Tamari, Y, Tochio, N, Tate, S.
Deposit date:2014-03-25
Release date:2014-12-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The C113D mutation in human Pin1 causes allosteric structural changes in the phosphate binding pocket of the PPIase domain through the tug of war in the dual-histidine motif.
Biochemistry, 53, 2014
6KVG
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BU of 6kvg by Molmil
The solution structure of human Orc6
Descriptor: Origin recognition complex subunit 6
Authors:Liu, C, Xu, N, You, Y, Zhu, G.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis of DNA replication origin recognition by human Orc6 protein binding with DNA.
Nucleic Acids Res., 48, 2020
6Q7U
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BU of 6q7u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ
Descriptor: 2-heptyl-1~{H}-quinolin-4-one, Transcriptional regulator MvfR
Authors:Witzgall, F, Xu, N, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
2DPF
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BU of 2dpf by Molmil
Crystal Structure of curculin1 homodimer
Descriptor: Curculin, SULFATE ION
Authors:Kurimoto, E, Suzuki, M, Amemiya, E, Yamaguchi, Y, Nirasawa, S, Shimba, N, Xu, N, Kashiwagi, T, Kawai, M, Suzuki, E, Kato, K.
Deposit date:2006-05-11
Release date:2007-05-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Curculin Exhibits Sweet-tasting and Taste-modifying Activities through Its Distinct Molecular Surfaces.
J.Biol.Chem., 282, 2007
1SSK
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BU of 1ssk by Molmil
Structure of the N-terminal RNA-binding Domain of the SARS CoV Nucleocapsid Protein
Descriptor: Nucleocapsid protein
Authors:Huang, Q, Yu, L, Petros, A.M, Gunasekera, A, Liu, Z, Xu, N, Hajduk, P, Mack, J, Fesik, S.W, Olejniczak, E.T.
Deposit date:2004-03-24
Release date:2004-06-08
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structure of the N-Terminal RNA-Binding Domain of the SARS CoV Nucleocapsid Protein.
Biochemistry, 43, 2004
2A9H
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BU of 2a9h by Molmil
NMR structural studies of a potassium channel / charybdotoxin complex
Descriptor: Voltage-gated potassium channel, charybdotoxin
Authors:Yu, L, Sun, C, Song, D, Shen, J, Xu, N, Gunasekera, A, Hajduk, P.J, Olejniczak, E.T.
Deposit date:2005-07-11
Release date:2006-01-10
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance structural studies of a potassium channel-charybdotoxin complex.
Biochemistry, 44, 2005
8HT7
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BU of 8ht7 by Molmil
The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3'), GLN-ALA-GLN-ALA-THR-ILE-SER-PHE-PRO-LYS-ARG-LYS-LEU-SER-TRP
Authors:Liu, C, Zhu, G, Geng, Y, Xu, N.
Deposit date:2022-12-20
Release date:2023-12-27
Method:SOLUTION NMR
Cite:The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex
To Be Published
4HMS
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BU of 4hms by Molmil
Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with a second FMN in the substrate binding site
Descriptor: FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, SULFATE ION
Authors:Xu, N.N, Ahuja, E.G, Blankenfeldt, W.
Deposit date:2012-10-18
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
4HMV
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BU of 4hmv by Molmil
Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with tetrahydrophenazine-1-carboxylic acid after 5 days of soaking
Descriptor: (1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, ...
Authors:Xu, N.N, Ahuja, E.G, Blankenfeldt, W.
Deposit date:2012-10-18
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
4HMW
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BU of 4hmw by Molmil
Crystal structure of PhzG from Burkholderia lata 383
Descriptor: FLAVIN MONONUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase
Authors:Xu, N.N, Ahuja, E.G, Blankenfeldt, W.
Deposit date:2012-10-18
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
4HMT
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BU of 4hmt by Molmil
Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with hexahydrophenazine-1,6-dicarboxylic acid
Descriptor: (1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid, FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, ...
Authors:Xu, N.N, Ahuja, E.G, Blankenfeldt, W.
Deposit date:2012-10-18
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
4HMU
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BU of 4hmu by Molmil
Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with tetrahydrophenazine-1-carboxylic acid after 1 day of soaking
Descriptor: (1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, ...
Authors:Xu, N.N, Ahuja, E.G, Blankenfeldt, W.
Deposit date:2012-10-18
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
4HMX
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BU of 4hmx by Molmil
Crystal structure of PhzG from Burkholderia lata 383 in complex with tetrahydrophenazine-1-carboxylic acid
Descriptor: (1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase
Authors:Xu, N.N, Ahuja, E.G, Blankenfeldt, W.
Deposit date:2012-10-18
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
1C9Q
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BU of 1c9q by Molmil
AVERAGE NMR SOLUTION STRUCTURE OF THE BIR-2 DOMAIN OF XIAP
Descriptor: APOPTOSIS INHIBITOR IAP HOMOLOG, ZINC ION
Authors:Meadows, R.P, Fesik, S.W.
Deposit date:1999-08-03
Release date:2000-08-09
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:NMR structure and mutagenesis of the inhibitor-of-apoptosis protein XIAP.
Nature, 401, 1999
1F9X
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BU of 1f9x by Molmil
AVERAGE NMR SOLUTION STRUCTURE OF THE BIR-3 DOMAIN OF XIAP
Descriptor: INHIBITOR OF APOPTOSIS PROTEIN XIAP, ZINC ION
Authors:Sun, C, Cai, M, Meadows, R.P, Fesik, S.W.
Deposit date:2000-07-11
Release date:2001-07-11
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:NMR structure and mutagenesis of the third Bir domain of the inhibitor of apoptosis protein XIAP.
J.Biol.Chem., 275, 2000
2RUQ
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BU of 2ruq by Molmil
solution structure of human Pin1 PPIase mutant C113A
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Jing, W, Tochio, N, Tate, S.
Deposit date:2015-01-20
Release date:2016-01-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase
Biochemistry, 54, 2015
2RUR
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BU of 2rur by Molmil
Solution structure of Human Pin1 PPIase C113S mutant
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Jing, W, Tochio, N, Tate, S.
Deposit date:2015-01-20
Release date:2016-01-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase
Biochemistry, 54, 2015
6Q7W
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BU of 6q7w by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20
Descriptor: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6Q7V
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BU of 6q7v by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 11
Descriptor: Transcriptional regulator MvfR, ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
5GS4
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BU of 5gs4 by Molmil
Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist
Descriptor: ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ...
Authors:Xie, M, Wang, T, Li, Z.-G.
Deposit date:2016-08-13
Release date:2017-08-30
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
5GTR
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BU of 5gtr by Molmil
estrogen receptor alpha in complex with a stabilized peptide antagonist 6
Descriptor: ARG-IAS-ILE-0JY-DPP-ARG-0JY-0JY-GLN-NH2, ESTRADIOL, Estrogen receptor
Authors:Xie, M, Wang, T, Li, Z.-G.
Deposit date:2016-08-23
Release date:2017-08-30
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
5KD1
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BU of 5kd1 by Molmil
Sperm whale myoglobin H64A with nitrosoamphetamine
Descriptor: GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, B, Guan, Y, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2016-06-07
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nitrosoamphetamine binding to myoglobin and hemoglobin: Crystal structure of the H64A myoglobin-nitrosoamphetamine adduct.
Nitric Oxide, 67, 2017
6A37
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BU of 6a37 by Molmil
X-ray structure of cyclohexanone monooxygenase from Acinetobacter calcoaceticus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase
Authors:Zhang, Y, Yu, H.L, Xu, J.H.
Deposit date:2018-06-15
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Engineering of Cyclohexanone Monooxygenase for the Enantioselective Synthesis of (S)-Omeprazole
Acs Sustain Chem Eng
5YIM
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BU of 5yim by Molmil
Structure of a Legionella effector
Descriptor: SdeA
Authors:Feng, Y, Dong, Y, Wang, W.
Deposit date:2017-10-05
Release date:2018-05-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.394 Å)
Cite:Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018

 

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