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6NWT
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BU of 6nwt by Molmil
RORgamma Ligand Binding Domain
分子名称: 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol, Nuclear receptor ROR-gamma
著者Strutzenberg, T.S, Park, H, Griffin, P.R.
登録日2019-02-07
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
3BM8
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BU of 3bm8 by Molmil
crystal structure of YopH mutant D356A complexed with irreversible inhibitor PVSN
分子名称: Tyrosine-protein phosphatase yopH, phenyl ethenesulfonate
著者Zhang, Z.Y, Liu, S.J.
登録日2007-12-12
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases.
J.Am.Chem.Soc., 130, 2008
3BLU
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BU of 3blu by Molmil
crystal structure YopH complexed with inhibitor PVS
分子名称: (ethenylsulfonyl)benzene, Tyrosine-protein phosphatase yopH
著者Liu, S, Zhang, Z.-Y.
登録日2007-12-11
公開日2008-10-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases
J.Am.Chem.Soc., 130, 2008
5XHR
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BU of 5xhr by Molmil
Crystal structure of P99 beta-lactamase in complex with a penicillin derivative MPC-1
分子名称: (2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2017-04-24
公開日2017-09-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Modified Penicillin Molecule with Carbapenem-Like Stereochemistry Specifically Inhibits Class C beta-Lactamases
Antimicrob. Agents Chemother., 61, 2017
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2018-12-05
公開日2019-12-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
8GXJ
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BU of 8gxj by Molmil
Pseudomonas aeruginosa N-acetyltransferase domain-containing protein PA3270
分子名称: N-acetyltransferase domain-containing protein
著者Song, Y.J, Bao, R.
登録日2022-09-20
公開日2022-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur.
Nucleic Acids Res., 50, 2022
8GXK
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BU of 8gxk by Molmil
Pseudomonas jinjuensis N-acetyltransferase
分子名称: COENZYME A, Protein N-acetyltransferase, RimJ/RimL family
著者Song, Y.J, Bao, R.
登録日2022-09-20
公開日2022-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur.
Nucleic Acids Res., 50, 2022
8GXF
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BU of 8gxf by Molmil
Pseudomonas flexibilis GCN5 family acetyltransferase
分子名称: COENZYME A, GCN5 family acetyltransferase
著者Song, Y.J, Bao, R.
登録日2022-09-20
公開日2022-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur.
Nucleic Acids Res., 50, 2022
6KTS
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BU of 6kts by Molmil
Structure of C34N126K/N36
分子名称: Envelope glycoprotein, Glycoprotein 41
著者Yu, D.W, Qin, B.
登録日2019-08-28
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Functional Characterization of the Secondary Mutation N126K Selected by Various HIV-1 Fusion Inhibitors.
Viruses, 12, 2020
4KC3
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BU of 4kc3 by Molmil
Cytokine/receptor binary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor-like 1, Interleukin-33
著者Liu, X, Wang, X.Q.
登録日2013-04-24
公開日2013-08-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.2702 Å)
主引用文献Structural insights into the interaction of IL-33 with its receptors.
Proc.Natl.Acad.Sci.USA, 110, 2013
5FL0
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BU of 5fl0 by Molmil
Structure of a hydrolase with an inhibitor
分子名称: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
登録日2015-10-20
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5GPO
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BU of 5gpo by Molmil
The sensor domain structure of the zinc-responsive histidine kinase CzcS from Pseudomonas Aeruginosa
分子名称: SULFATE ION, Sensor protein CzcS, ZINC ION
著者Wang, D, Chen, W.Z, Huang, S.Q, Liu, X.C, Hu, Q.Y, Wei, T.B, Gan, J.H, Chen, H.
登録日2016-08-03
公開日2017-08-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Structural basis of Zn(II) induced metal detoxification and antibiotic resistance by histidine kinase CzcS in Pseudomonas aeruginosa
PLoS Pathog., 13, 2017
5H48
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BU of 5h48 by Molmil
Crystal structure of Cbln1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5H4C
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BU of 5h4c by Molmil
Crystal structure of Cbln4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein Cbln4
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5GXU
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BU of 5gxu by Molmil
Cystal structure of Arabidopsis ATR2
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase 2
著者Niu, G, Liu, L.
登録日2016-09-20
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Arabidopsis thaliana NADPH-cytochrome P450 reductase 2 (ATR2) provides insight into its function
FEBS J., 284, 2017
5H49
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BU of 5h49 by Molmil
Crystal structure of Cbln1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5Z0W
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BU of 5z0w by Molmil
Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N36)
分子名称: peptide-C, peptide-N
著者Liu, Z.X, Qin, B, Cui, S.
登録日2017-12-21
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Mechanism of HIV-1 Resistance to an Electronically Constrained alpha-Helical Peptide Membrane Fusion Inhibitor
J. Virol., 92, 2018
5FHE
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BU of 5fhe by Molmil
Crystal structure of Bacteroides Pif1 bound to ssDNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
著者Zhou, X, Ren, W, Bharath, S.R, Song, H.
登録日2015-12-22
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
2Q6S
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BU of 2q6s by Molmil
2.4 angstrom crystal structure of PPAR gamma complexed to BVT.13 without co-activator peptides
分子名称: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5P
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BU of 2q5p by Molmil
Crystal Structure of PPARgamma bound to partial agonist MRL24
分子名称: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q59
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BU of 2q59 by Molmil
Crystal Structure of PPARgamma LBD bound to full agonist MRL20
分子名称: (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-05-31
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q6R
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BU of 2q6r by Molmil
Crystal structure of PPAR gamma complexed with partial agonist SF147
分子名称: 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q5S
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BU of 2q5s by Molmil
Crystal Structure of PPARgamma bound to partial agonist nTZDpa
分子名称: 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-01
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
2Q61
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Crystal Structure of PPARgamma ligand binding domain bound to partial agonist SR145
分子名称: 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
著者Bruning, J.B, Nettles, K.W.
登録日2007-06-04
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
8ENS
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BU of 8ens by Molmil
Crystal structure of beta'-COPI-WD40 domain in complex with SARS-CoV-2 spike tail hepta-peptide
分子名称: Coatomer subunit beta', spike tail hepta-peptide
著者Dey, D, Hasan, S.S.
登録日2022-09-30
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023

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