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5HE4
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BU of 5he4 by Molmil
BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
分子名称: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
著者Plotnikov, A.N, Joshua, j, Zhou, M.-M.
登録日2017-01-24
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2L1V
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BU of 2l1v by Molmil
Solution structure of a preQ1 riboswitch (Class I) aptamer bound to preQ1
分子名称: 36-MER, 7-DEAZA-7-AMINOMETHYL-GUANINE
著者Kang, M, Zhang, Q, Feigon, J.
登録日2010-08-06
公開日2010-09-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Insights into Riboswitch Control of the Biosynthesis of Queuosine, a Modified Nucleotide Found in the Anticodon of tRNA
Mol.Cell, 33, 2009
8UAC
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BU of 8uac by Molmil
CATHEPSIN L IN COMPLEX WITH AC1115
分子名称: Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
著者Chao, A, DuPrez, K.T, Han, F.Q.
登録日2023-09-20
公開日2024-02-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
1M3G
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BU of 1m3g by Molmil
SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF MAPK PHOSPHATASE PAC-1: INSIGHTS INTO SUBSTRATE-INDUCED ENZYMATIC ACTIVATION
分子名称: DUAL SPECIFICITY PROTEIN PHOSPHATASE 2
著者Farooq, A, Zhou, M.-M.
登録日2002-06-27
公開日2003-06-27
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of the MAPK Phosphatase PAC-1 Catalytic Domain Insights into Substrate-Induced Enzymatic Activation of MKP
Structure, 11, 2003
7CL0
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BU of 7cl0 by Molmil
Crystal structure of human SIRT6
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
7CL1
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BU of 7cl1 by Molmil
Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
5H3W
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BU of 5h3w by Molmil
The structure of the C-terminal of the fibronectin/fibrinogen-binding protein from Streptococcus suis (FBPS)
分子名称: Fibronectin/fibrinogen binding protein
著者Musyoki, A.M, Qi, J, Gao, G.F.
登録日2016-10-27
公開日2016-11-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional analysis of an anchorless fibronectin-binding protein FBPS from Gram-positive bacterium Streptococcus suis
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7CM5
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BU of 7cm5 by Molmil
Full-length Sarm1 in a self-inhibited state
分子名称: NAD(+) hydrolase SARM1
著者Zhang, Z, Jiang, Y.
登録日2020-07-24
公開日2020-10-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1.
Nature, 588, 2020
7CM7
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BU of 7cm7 by Molmil
NAD+-bound Sarm1 E642A in the self-inhibited state
分子名称: NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Zhang, Z, Jiang, Y.
登録日2020-07-25
公開日2020-10-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1.
Nature, 588, 2020
7CM6
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BU of 7cm6 by Molmil
NAD+-bound Sarm1 in the self-inhibited state
分子名称: NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Zhang, Z, Jiang, Y.
登録日2020-07-25
公開日2020-10-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1.
Nature, 588, 2020
3KVD
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BU of 3kvd by Molmil
Crystal structure of the Neisseria meningitidis Factor H binding protein, fHbp (GNA1870) at 2.0 A resolution
分子名称: Lipoprotein
著者Cendron, L, Veggi, D, Girardi, E, Zanotti, G.
登録日2009-11-30
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the uncomplexed Neisseria meningitidis factor H-binding protein fHbp (rLP2086).
Acta Crystallogr.,Sect.F, 67, 2011
6LJP
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BU of 6ljp by Molmil
Crystal structure of human galectin-16
分子名称: Galectin-16
著者Su, J.
登録日2019-12-17
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
6LJQ
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BU of 6ljq by Molmil
human galectin-16 R55N
分子名称: Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.
登録日2019-12-17
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
6LJR
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BU of 6ljr by Molmil
human galectin-16 R55N/H57R
分子名称: Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.
登録日2019-12-17
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
4RZE
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BU of 4rze by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
6JYR
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BU of 6jyr by Molmil
GII.13/21 noroviruses recognize glycans with a terminal beta-galactose via an unconventional glycan binding site
分子名称: GLYCEROL, norovirus P domain protein
著者Duan, Z, Xin, C.
登録日2019-04-27
公開日2019-05-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献GII.13/21 Noroviruses Recognize Glycans with a Terminal beta-Galactose via an Unconventional Glycan Binding Site.
J.Virol., 93, 2019
4RZF
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BU of 4rzf by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4RZG
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BU of 4rzg by Molmil
Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
著者Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
5UQ9
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BU of 5uq9 by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
著者Leonard, P.G.
登録日2017-02-07
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
7CRH
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BU of 7crh by Molmil
Cryo-EM structure of SKF83959 bound dopamine receptor DRD1-Gs signaling complex
分子名称: (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol, D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yan, W, Shao, Z.H.
登録日2020-08-13
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKY
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BU of 7cky by Molmil
Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex
分子名称: 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, Z.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKW
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BU of 7ckw by Molmil
Cryo-EM structure of Fenoldopam bound dopamine receptor DRD1-Gs signaling complex
分子名称: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, W.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKZ
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BU of 7ckz by Molmil
Cryo-EM structure of Dopamine and LY3154207 bound dopamine receptor DRD1-Gs signaling complex
分子名称: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, Z.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKX
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Cryo-EM structure of A77636 bound dopamine receptor DRD1-Gs signaling complex
分子名称: (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, Z.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021

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