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4FXH
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BU of 4fxh by Molmil
Crystal structure of the isolated E. coli RelE toxin, P212121 form
分子名称: SULFATE ION, mRNA interferase RelE
著者Brodersen, D.E, Boggild, A, Sofos, N.
登録日2012-07-03
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of the intact E. coli RelBE toxin-antitoxin complex provides the structural basis for conditional cooperativity.
Structure, 20, 2012
3S7H
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BU of 3s7h by Molmil
Structure of thrombin mutant Y225P in the E* form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin
著者Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E.
登録日2011-05-26
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease.
Biochemistry, 50, 2011
3S7K
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BU of 3s7k by Molmil
Structure of thrombin mutant Y225P in the E form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, POTASSIUM ION, Prothrombin
著者Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E.
登録日2011-05-26
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease.
Biochemistry, 50, 2011
7ODL
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BU of 7odl by Molmil
SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I.
登録日2021-04-29
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
3TDB
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BU of 3tdb by Molmil
Human Pin1 bound to trans peptidomimetic inhibitor
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Zhang, M, Zhang, Y.
登録日2011-08-10
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.267 Å)
主引用文献Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code.
Acs Chem.Biol., 7, 2012
3T6D
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BU of 3t6d by Molmil
Crystal Structure of the Reaction Centre from Blastochloris viridis strain DSM 133 (ATCC 19567) substrain-08
分子名称: (2S,3R)-heptane-1,2,3-triol, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
著者Roszak, A.W, Gardiner, A.T, Isaacs, N.W, Cogdell, R.J.
登録日2011-07-28
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献New insights into the structure of the reaction centre from Blastochloris viridis: evolution in the laboratory.
Biochem.J., 442, 2012
4IMJ
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BU of 4imj by Molmil
Novel Modifications on C-terminal Domain of RNA Polymerase II can Fine-tune the Phosphatase Activity of Ssu72
分子名称: CG14216, CTD, PHOSPHATE ION, ...
著者Luo, Y, Yogesha, S.D, Zhang, Y.
登録日2013-01-03
公開日2013-08-07
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Novel Modifications on C-terminal Domain of RNA Polymerase II Can Fine-tune the Phosphatase Activity of Ssu72.
Acs Chem.Biol., 8, 2013
4H1M
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BU of 4h1m by Molmil
Crystal structure of PYK2 with the indole 10c
分子名称: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta
著者Han, S.
登録日2012-09-10
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4I1L
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BU of 4i1l by Molmil
Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function
分子名称: ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ...
著者Song, X.M, Greene, M.I, Zhou, Z.C.
登録日2012-11-21
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
4HXQ
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BU of 4hxq by Molmil
Crystal structure of human Arginase-1 complexed with inhibitor 14
分子名称: Arginase-1, MANGANESE (II) ION, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A.
登録日2012-11-12
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4HZE
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BU of 4hze by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 9
分子名称: Arginase-2, mitochondrial, BENZAMIDINE, ...
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A.
登録日2012-11-15
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
3QK6
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BU of 3qk6 by Molmil
Crystal structure of Escherichia coli PhnD
分子名称: PhnD, subunit of alkylphosphonate ABC transporter, UNKNOWN LIGAND
著者Alicea, I, Schreiter, E.R.
登録日2011-01-31
公開日2011-10-12
最終更新日2011-12-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Escherichia coli Phosphonate Binding Protein PhnD and Rationally Optimized Phosphonate Biosensors.
J.Mol.Biol., 414, 2011
3QGN
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BU of 3qgn by Molmil
The allosteric E*-E equilibrium is a key property of the trypsin fold
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, IODIDE ION, ...
著者Niu, W, Gohara, D, Chen, Z, Di Cera, E.
登録日2011-01-24
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic and kinetic evidence of allostery in a trypsin-like protease.
Biochemistry, 50, 2011
3QA2
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BU of 3qa2 by Molmil
X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2
分子名称: Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION
著者Abad, M.C.
登録日2011-01-10
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.519 Å)
主引用文献Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011
3TWD
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BU of 3twd by Molmil
glmuC1 in complex with an antibacterial inhibitor
分子名称: 4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid, Bifunctional protein glmU, SULFATE ION
著者Lahiri, S, Otterbein, L.
登録日2011-09-21
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献In Vitro Validation of Acetyltransferase Activity of GlmU as an Antibacterial Target in Haemophilus influenzae.
J.Biol.Chem., 286, 2011
4IMI
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BU of 4imi by Molmil
Novel Modifications on C-terminal Domain of RNA Polymerase II can Fine- tune the Phosphatase Activity of Ssu72.
分子名称: CG14216, CTD, PHOSPHATE ION, ...
著者Luo, Y, Yogesha, S.D, Zhang, Y.
登録日2013-01-03
公開日2013-08-07
最終更新日2013-10-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel Modifications on C-terminal Domain of RNA Polymerase II Can Fine-tune the Phosphatase Activity of Ssu72.
Acs Chem.Biol., 8, 2013
3U0D
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BU of 3u0d by Molmil
The structure of human Siderocalin bound to the bacterial siderophore 2,3-DHBA
分子名称: 2,3-DIHYDROXY-BENZOIC ACID, CHLORIDE ION, FE (III) ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-09-28
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Siderocalin/Lcn2/NGAL/24p3 does not drive apoptosis through gentisic acid mediated iron withdrawal in hematopoietic cell lines.
Plos One, 7, 2012
3SW8
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BU of 3sw8 by Molmil
Strep Peptide Deformylase with a time dependent dichlorobenzamide-reverse hydroxamic acid
分子名称: 2,3-dichloro-N-{2-[formyl(hydroxy)amino]ethyl}benzamide, NICKEL (II) ION, Peptide deformylase 3, ...
著者Campobasso, N, Smith, K.J.
登録日2011-07-13
公開日2011-07-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
3SVJ
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BU of 3svj by Molmil
Strep Peptide Deformylase with a time dependent thiazolidine amide
分子名称: (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ...
著者Campobasso, N, Ward, P.
登録日2011-07-12
公開日2011-07-27
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
4I06
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BU of 4i06 by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 14
分子名称: Arginase-2, mitochondrial, BENZAMIDINE, ...
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A.
登録日2012-11-16
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
3U9P
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BU of 3u9p by Molmil
Crystal Structure of Murine Siderocalin in Complex with an Fab Fragment
分子名称: Monoclonal Fab Fragment Heavy Chain, Monoclonal Fab Fragment Light Chain, Neutrophil gelatinase-associated lipocalin
著者Correnti, C, Strong, R.K.
登録日2011-10-19
公開日2013-05-01
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Siderocalin/Lcn2/NGAL/24p3 does not drive apoptosis through gentisic acid mediated iron withdrawal in hematopoietic cell lines.
Plos One, 7, 2012
4JPB
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BU of 4jpb by Molmil
The structure of a ternary complex between CheA domains P4 and P5 with CheW and with an unzipped fragment of TM14, a chemoreceptor analog from Thermotoga maritima.
分子名称: Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein
著者Li, X, Bayas, C, Bilwes, A.M, Crane, B.R.
登録日2013-03-19
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.186 Å)
主引用文献The 3.2 angstrom resolution structure of a receptor: CheA:CheW signaling complex defines overlapping binding sites and key residue interactions within bacterial chemosensory arrays.
Biochemistry, 52, 2013
4FZ4
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BU of 4fz4 by Molmil
Crystal structure of HP0197-18kd
分子名称: CHLORIDE ION, NITRATE ION, Uncharacterized protein conserved in bacteria
著者Yuan, Z, Yan, X.
登録日2012-07-06
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Molecular mechanism by which surface antigen HP0197 mediates host cell attachment in the pathogenic bacteria Streptococcus suis
J.Biol.Chem., 288, 2013
4FZQ
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Crystal structure of HP0197-G5
分子名称: Uncharacterized protein conserved in bacteria
著者Yuan, Z, Yan, X.
登録日2012-07-07
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism by which surface antigen HP0197 mediates host cell attachment in the pathogenic bacteria Streptococcus suis
J.Biol.Chem., 288, 2013
3TCZ
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BU of 3tcz by Molmil
Human Pin1 bound to cis peptidomimetic inhibitor
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Zhang, M, Zhang, Y.
登録日2011-08-09
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code.
Acs Chem.Biol., 7, 2012

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