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5DRO
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BU of 5dro by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-011 Complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DRP
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BU of 5drp by Molmil
Structure of the AaLpxC/LPC-023 Complex
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ...
Authors:Najeeb, J, Lee, C.-J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DRR
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BU of 5drr by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4ISA
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BU of 4isa by Molmil
Crystal Structure of the Escherichia coli LpxC/BB-78485 complex
Descriptor: (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
4IS9
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BU of 4is9 by Molmil
Crystal Structure of the Escherichia coli LpxC/L-161,240 complex
Descriptor: (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
6CMJ
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BU of 6cmj by Molmil
Human CAMKK2 with GSK650393
Descriptor: 1,2-ETHANEDIOL, 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Williams, S.P, Reid, R.A, Price, D.J, Drewry, D.H.
Deposit date:2018-03-05
Release date:2018-04-04
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model.
Bioorg. Med. Chem. Lett., 28, 2018
4LG8
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BU of 4lg8 by Molmil
Crystal structure of PRPF19 WD40 repeats
Descriptor: Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
4O62
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BU of 4o62 by Molmil
CW-type zinc finger of ZCWPW2 in complex with the amino terminus of histone H3
Descriptor: Histone H3.3, UNKNOWN ATOM OR ION, ZINC ION, ...
Authors:Liu, Y, Tempel, W, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-03-26
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
4MQY
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BU of 4mqy by Molmil
Crystal Structure of the Escherichia coli LpxC/LPC-138 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2013-09-17
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
7FJ2
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BU of 7fj2 by Molmil
Structure of FOXM1 homodimer bound to a palindromic DNA site
Descriptor: DNA (5'-D(*AP*CP*CP*GP*TP*AP*AP*AP*CP*AP*TP*GP*TP*TP*TP*AP*CP*GP*GP*T)-3'), Forkhead box protein M1
Authors:Dai, S.Y, Li, J, Zhang, H.J.
Deposit date:2021-08-02
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Mechanistic Insights into the Preference for Tandem Binding Sites in DNA Recognition by FOXM1.
J.Mol.Biol., 434, 2021
6D7J
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BU of 6d7j by Molmil
The Crystal Structure of Parabacteroides merdae Beta-Glucuronidase (GUS) with Glycerol in Active-Site
Descriptor: Beta-Glucuronidase, GLYCEROL, POTASSIUM ION, ...
Authors:Little, M.S, Redinbo, M.R.
Deposit date:2018-04-24
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Active site flexibility revealed in crystal structures of Parabacteroides merdae beta-glucuronidase from the human gut microbiome.
Protein Sci., 27, 2018
8J54
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BU of 8j54 by Molmil
Crystal structure of RXR/DR2 complex
Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Retinoic acid receptor RXR, ...
Authors:Chen, Y, Jiang, L.
Deposit date:2023-04-21
Release date:2024-01-17
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
7WJQ
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BU of 7wjq by Molmil
Crystal structure of GSDMB in complex with Ipah7.8
Descriptor: Isoform 2 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8
Authors:Li, X, Zhang, H, Yin, H.
Deposit date:2022-01-07
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into the GSDMB-mediated cellular lysis and its targeting by IpaH7.8
Nat Commun, 14, 2023
8K79
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BU of 8k79 by Molmil
Crystal structure of c-SRC kinase domain bound by TPX-0022
Descriptor: Elzovantinib, Proto-oncogene tyrosine-protein kinase Src
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2023-07-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
8K78
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BU of 8k78 by Molmil
Crystal structure of cMET kinase domain bound by TPX-0022
Descriptor: Elzovantinib, Hepatocyte growth factor receptor
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2023-07-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
7XVN
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BU of 7xvn by Molmil
Structural basis for DNA recognition feature of retinoid-related orphan receptors
Descriptor: DNA (5'-D(P*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Nuclear receptor ROR-gamma, ...
Authors:Chen, Y, Jiang, L.
Deposit date:2022-05-24
Release date:2023-11-29
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
8INK
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BU of 8ink by Molmil
human nuclear pre-60S ribosomal particle - State D
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-03-10
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
8IE3
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BU of 8ie3 by Molmil
human nuclear pre-60S ribosomal particle - State E
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-02-15
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
8IDT
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BU of 8idt by Molmil
human nuclear pre-60S ribosomal particle - State G
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-02-14
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
8INF
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BU of 8inf by Molmil
human nuclear pre-60S ribosomal particle - State F'
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-03-09
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
8INE
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BU of 8ine by Molmil
human nuclear pre-60S ribosomal particle - State G'
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-03-09
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
8IDY
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BU of 8idy by Molmil
human nuclear pre-60S ribosomal particle - State F
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-02-14
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
8IR3
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BU of 8ir3 by Molmil
human nuclear pre-60S ribosomal particle - State B'
Descriptor: 28S rRNA, 5.8S rRNA, 5S RNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-03-17
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
8IPY
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BU of 8ipy by Molmil
human nuclear pre-60S ribosomal particle - State D'
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-03-15
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023

226262

数据于2024-10-16公开中

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