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4ISA
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BU of 4isa by Molmil
Crystal Structure of the Escherichia coli LpxC/BB-78485 complex
分子名称: (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ...
著者Lee, C.-J, Zhou, P.
登録日2013-01-16
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ...
著者Lee, C.-J, Zhou, P.
登録日2013-01-16
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
4QQ4
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BU of 4qq4 by Molmil
CW-type zinc finger of MORC3 in complex with the amino terminus of histone H3
分子名称: CHLORIDE ION, Histone H3.3, MORC family CW-type zinc finger protein 3, ...
著者Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-26
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 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
分子名称: 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
著者Orth, P.
登録日2015-01-13
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8HBM
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BU of 8hbm by Molmil
Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA
分子名称: Bile acid receptor, DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3'), ...
著者Jiang, L, Chen, Y.
登録日2022-10-29
公開日2023-06-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA.
Comput Struct Biotechnol J, 21, 2023
5DRO
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BU of 5dro by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-011 Complex
分子名称: 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, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ...
著者Najeeb, J, Lee, C.-J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.889 Å)
主引用文献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
分子名称: 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, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
6K81
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BU of 6k81 by Molmil
Crystal structure of human VASH1-SVBP complex
分子名称: Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
著者Liu, X, Wang, H, Zhang, Y, Feng, Y.
登録日2019-06-11
公開日2020-02-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural insights into tubulin detyrosination by vasohibins-SVBP complex.
Cell Discov, 5, 2019
6L6L
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BU of 6l6l by Molmil
Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements
分子名称: DNA (5'-D(*AP*AP*AP*GP*GP*TP*CP*AP*AP*AP*CP*TP*GP*TP*GP*AP*CP*CP*TP*AP*T)-3'), DNA (5'-D(P*TP*AP*TP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*TP*TP*GP*AP*CP*CP*TP*T)-3'), Nuclear receptor related 1, ...
著者Jiang, L, Chen, Y.
登録日2019-10-29
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.781 Å)
主引用文献Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019
4LG8
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BU of 4lg8 by Molmil
Crystal structure of PRPF19 WD40 repeats
分子名称: Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION
著者Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-06-27
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
4MQY
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BU of 4mqy by Molmil
Crystal Structure of the Escherichia coli LpxC/LPC-138 complex
分子名称: 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, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2013-09-17
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
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
分子名称: Histone H3.3, UNKNOWN ATOM OR ION, ZINC ION, ...
著者Liu, Y, Tempel, W, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-20
公開日2014-03-26
最終更新日2016-06-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
6CMJ
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BU of 6cmj by Molmil
Human CAMKK2 with GSK650393
分子名称: 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, ...
著者Williams, S.P, Reid, R.A, Price, D.J, Drewry, D.H.
登録日2018-03-05
公開日2018-04-04
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model.
Bioorg. Med. Chem. Lett., 28, 2018
7CJT
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BU of 7cjt by Molmil
Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59
分子名称: 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1
著者Guo, Y.P, Liang, X, Mao, X, Wu, C, Luyi, H, Yang, S.
登録日2020-07-13
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.474 Å)
主引用文献Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
8GET
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BU of 8get by Molmil
R. hominis 2 beta-glucuronidase bound to norquetiapine-glucuronide
分子名称: 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Simpson, J.B, Redinbo, M.R.
登録日2023-03-07
公開日2024-03-20
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
8GEO
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BU of 8geo by Molmil
E. eligens beta-glucuronidase bound to 3-OH-desloratidine-glucuronide
分子名称: 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Beta-glucuronidase, GLYCEROL
著者Simpson, J.B, Redinbo, M.R.
登録日2023-03-07
公開日2024-03-20
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
8GER
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BU of 8ger by Molmil
E. eligens beta-glucuronidase bound to norquetiapine-glucuronide
分子名称: 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, Beta-glucuronidase
著者Simpson, J.B, Lietzan, A.D, Redinbo, M.R.
登録日2023-03-07
公開日2024-03-20
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
7CAJ
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BU of 7caj by Molmil
Crystal structure of SETDB1 Tudor domain in complexed with Compound 2.
分子名称: 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1
著者Guo, Y.P, Liang, X, Xin, M, Luyi, H, Chengyong, W, Yang, S.Y.
登録日2020-06-08
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
6AE8
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BU of 6ae8 by Molmil
Structure insight into histone chaperone Chz1-mediated H2A.Z recognition and replacement
分子名称: BICINE, Histone H2A.Z-specific chaperone CHZ1, Histone H2B.1,Histone H2A.Z
著者Wang, Y.Y, Shan, S, Zhou, Z.
登録日2018-08-03
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into histone chaperone Chz1-mediated H2A.Z recognition and histone replacement.
Plos Biol., 17, 2019
7FJ2
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BU of 7fj2 by Molmil
Structure of FOXM1 homodimer bound to a palindromic DNA site
分子名称: 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
著者Dai, S.Y, Li, J, Zhang, H.J.
登録日2021-08-02
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献Mechanistic Insights into the Preference for Tandem Binding Sites in DNA Recognition by FOXM1.
J.Mol.Biol., 434, 2021
7WJQ
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BU of 7wjq by Molmil
Crystal structure of GSDMB in complex with Ipah7.8
分子名称: Isoform 2 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8
著者Li, X, Zhang, H, Yin, H.
登録日2022-01-07
公開日2023-01-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into the GSDMB-mediated cellular lysis and its targeting by IpaH7.8
Nat Commun, 14, 2023
6D7J
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BU of 6d7j by Molmil
The Crystal Structure of Parabacteroides merdae Beta-Glucuronidase (GUS) with Glycerol in Active-Site
分子名称: Beta-Glucuronidase, GLYCEROL, POTASSIUM ION, ...
著者Little, M.S, Redinbo, M.R.
登録日2018-04-24
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Active site flexibility revealed in crystal structures of Parabacteroides merdae beta-glucuronidase from the human gut microbiome.
Protein Sci., 27, 2018
7XVN
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BU of 7xvn by Molmil
Structural basis for DNA recognition feature of retinoid-related orphan receptors
分子名称: 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, ...
著者Chen, Y, Jiang, L.
登録日2022-05-24
公開日2023-11-29
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024

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