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3NCZ
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BU of 3ncz by Molmil
X-Ray Co-structure of Rho-Associated Protein Kinase (ROCK1) with a potent 2H-isoquinolin-1-one inhibitor
分子名称: Rho-associated protein kinase 1, cis-4-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide
著者Li, X.
登録日2010-06-06
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: Part 2, optimization for blood pressure reduction in spontaneously hypertensive rats.
Bioorg.Med.Chem.Lett., 20, 2010
3Q17
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BU of 3q17 by Molmil
Structure of a slow CLC Cl-/H+ antiporter from a cyanobacterium in Bromide
分子名称: BROMIDE ION, Sll0855 protein
著者Jayaram, H, Robertson, J.L, Fang, W, Williams, C, Miller, C.
登録日2010-12-16
公開日2011-01-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of a Slow CLC Cl(-)/H(+) Antiporter from a Cyanobacterium.
Biochemistry, 50, 2011
6C9L
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BU of 6c9l by Molmil
MEF2B Apo Protein Structure
分子名称: Myocyte-specific enhancer factor 2B
著者Lei, X, Chen, L.
登録日2018-01-26
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Apo MEF2B Reveals New Insights in DNA Binding and Cofactor Interaction.
Biochemistry, 57, 2018
6BZ1
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BU of 6bz1 by Molmil
MEF2 Chimera D83V mutant/DNA complex
分子名称: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2 CHIMERA
著者Lei, X, Chen, L.
登録日2017-12-21
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献The Cancer Mutation D83V Induces an alpha-Helix to beta-Strand Conformation Switch in MEF2B.
J. Mol. Biol., 430, 2018
4WEL
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BU of 4wel by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176
分子名称: (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
著者Ferguson, A.D.
登録日2014-09-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
4WEK
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BU of 4wek by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted vinyl monocarbam
分子名称: (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
著者Ferguson, A.D.
登録日2014-09-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
6BYY
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BU of 6byy by Molmil
MEF2 CHIMERA/DNA Complex
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), ...
著者Lei, X, Chen, L.
登録日2017-12-21
公開日2018-01-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Cancer Mutation D83V Induces an alpha-Helix to beta-Strand Conformation Switch in MEF2B.
J. Mol. Biol., 430, 2018
4HP3
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BU of 4hp3 by Molmil
Crystal structure of Tet3 in complex with a CpG dsDNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), LOC100036628 protein, UNKNOWN ATOM OR ION, ...
著者Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-10-23
公開日2012-12-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
4HP1
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Crystal structure of Tet3 in complex with a non-CpG dsDNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), LOC100036628 protein, ZINC ION
著者Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-10-23
公開日2012-12-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
8J1X
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BU of 8j1x by Molmil
A near-infrared fluorescent protein of de novo backbone design
分子名称: near-infrared fluorescent protein
著者Hu, X, Xu, Y.
登録日2023-04-13
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
8J1W
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BU of 8j1w by Molmil
A near-infrared fluorescent protein of de novo backbone design
分子名称: near-infrared fluorescent protein
著者Hu, X, Xu, Y.
登録日2023-04-13
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
4IMB
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BU of 4imb by Molmil
Structure of strictosidine synthase in complex with 2-(1-methyl-1H-indol-3-yl)ethanamine
分子名称: 2-(1-methyl-1H-indol-3-yl)ethanamine, Strictosidine synthase
著者Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
登録日2013-01-02
公開日2014-01-29
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
4KB5
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BU of 4kb5 by Molmil
Crystal structure of MycP1 from Mycobacterium smegmatis
分子名称: GLYCEROL, Membrane-anchored mycosin mycp1
著者Sun, D.M, He, Y, Tian, C.L.
登録日2013-04-23
公開日2014-02-05
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The putative propeptide of MycP1 in mycobacterial type VII secretion system does not inhibit protease activity but improves protein stability.
Protein Cell, 4, 2013
4IYG
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BU of 4iyg by Molmil
Structure of strictosidine synthase in complex with 2-(1H-INDOL-3-YL)-N-METHYLETHANAMINE
分子名称: 2-(1H-indol-3-yl)-N-methylethanamine, Strictosidine synthase
著者Stoeckigt, J, Fangrui, W, Wang, M, Rajendran, C.
登録日2013-01-28
公開日2014-01-29
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Using Strictosidine Synthase to Prepare Novel Alkaloids.
Curr.Med.Chem., 2015
8TZX
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BU of 8tzx by Molmil
Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue dWIZ-1
分子名称: (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, DNA damage-binding protein 1, ...
著者Clifton, M.C, Ma, X, Ornelas, E.
登録日2023-08-28
公開日2024-07-10
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A molecular glue degrader of the WIZ transcription factor for fetal hemoglobin induction.
Science, 385, 2024
8Y33
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A near-infrared fluorescent protein of de novo backbone design
分子名称: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein
著者Hu, X, Xu, Y.
登録日2024-01-28
公開日2024-02-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
7EPX
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BU of 7epx by Molmil
S protein of SARS-CoV-2 in complex with GW01
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q.
登録日2021-04-28
公開日2022-05-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
2L8S
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BU of 2l8s by Molmil
Solution NMR Structure of Transmembrane and Cytosolic Regions of Integrin Alpha1 in Detergent Micelles
分子名称: Integrin alpha-1
著者Lai, C, Liu, X, Tian, C.
登録日2011-01-24
公開日2012-02-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Integrin Alpha1 Has a Long Helix, Extending from the Transmembrane Region to the Cytoplasmic Tail in Detergent Micelles
Plos One, 8, 2013
5ZWZ
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BU of 5zwz by Molmil
Crystal structure of Arabidopsis thaliana AGDP1 AGD34
分子名称: Agenet domain-containing protein
著者Du, X, Du, J.
登録日2018-05-17
公開日2018-11-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Arabidopsis AGDP1 links H3K9me2 to DNA methylation in heterochromatin
Nat Commun, 9, 2018
5ZWX
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BU of 5zwx by Molmil
Crystal structure of Raphanus sativus AGDP1 AGD12 in complex with an H3K9me2 peptide
分子名称: DUF724 domain-containing protein 6-like, H3(1-15)K9me2 peptide
著者Du, X, Du, J.
登録日2018-05-17
公開日2018-11-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Arabidopsis AGDP1 links H3K9me2 to DNA methylation in heterochromatin
Nat Commun, 9, 2018
6IPB
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BU of 6ipb by Molmil
Crystal Structure of the Cofactor-binding Domain of the Human Phase II Drug Metabolism Enzyme UGT2B15
分子名称: GLYCEROL, L(+)-TARTARIC ACID, UDP-glucuronosyltransferase 2B15
著者Zhang, L, Xie, W, Wang, C.
登録日2018-11-02
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Insight into tartrate inhibition patterns in vitro and in vivo based on cocrystal structure with UDP-glucuronosyltransferase 2B15.
Biochem. Pharmacol., 172, 2019
6KN5
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Crystal structure of AFF4 C-terminal domain
分子名称: AF4/FMR2 family member 4
著者Chen, L.J, Yang, W.S, Xu, R.M.
登録日2019-08-03
公開日2020-07-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acetylation of histone H3K27 signals the transcriptional elongation for estrogen receptor alpha.
Commun Biol, 3, 2020
6KZF
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Racemic X-ray Structure of Calcicludine
分子名称: D-calcicludine, Kunitz-type serine protease inhibitor homolog calcicludine
著者Qu, Q, Gao, S, Liu, L.
登録日2019-09-24
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Synthesis of Disulfide Surrogate Peptides Incorporating Large-Span Surrogate Bridges Through a Native-Chemical-Ligation-Assisted Diaminodiacid Strategy
Angew.Chem.Int.Ed.Engl., 59, 2020
5TE7
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Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade C Strain DU172.17 gp120 Core
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Zhou, T, Kwong, P.D.
登録日2016-09-20
公開日2016-11-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
5TE4
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Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade G Strain X2088 gp120 Core
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, T, Kwong, P.D.
登録日2016-09-20
公開日2016-11-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016

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