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7CD9
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BU of 7cd9 by Molmil
Crystal Structure of SETDB1 tudor domain in complexed with Compound 6
分子名称: 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, CITRIC ACID, Histone-lysine N-methyltransferase SETDB1
著者Xiong, L, Guo, Y, Mao, X, Huang, L, Wu, C, Yang, S.
登録日2020-06-19
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 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
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
7DAD
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BU of 7dad by Molmil
EPD in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Wang, Y, Wu, C.
登録日2020-10-16
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
7ELY
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BU of 7ely by Molmil
A peptide with high affinity for B-Cell lymphoma2(Bcl-2)
分子名称: 16X_BCL
著者Fan, S, Zha, J, Wu, C.
登録日2021-04-12
公開日2021-05-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献An evolution-inspired strategy to design disulfide-rich peptides tolerant to extensive sequence manipulation.
Chem Sci, 12, 2021
7V3P
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BU of 7v3p by Molmil
Cryo-EM structure of the IGF1R/insulin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Zhang, J, Liu, C, Zhang, X, Wei, T, Wu, C.
登録日2021-08-11
公開日2022-08-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of the IGF1R/insulin complex
To Be Published
7YDX
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BU of 7ydx by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound RI-962
分子名称: 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S.
登録日2022-07-04
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.642 Å)
主引用文献Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
7XGD
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BU of 7xgd by Molmil
Cryo-EM structure of Apo-IGF1R map 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor 1 receptor
著者Zhang, X, Wu, C.
登録日2022-04-04
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structure of Apo-IGF1R
To Be Published
7YIM
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BU of 7yim by Molmil
Cryo-EM structure of human Alpha-fetoprotein
分子名称: Alpha-fetoprotein
著者Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W.
登録日2022-07-17
公開日2023-01-18
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
7B1R
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BU of 7b1r by Molmil
Crystal structure of B. subtilis glucose-1-phosphate uridylyltransferase YngB
分子名称: Probable UTP--glucose-1-phosphate uridylyltransferase YngB
著者Wu, C, Morgan, R.M.L, Freemont, P, Grundling, A.
登録日2020-11-25
公開日2021-02-10
最終更新日2021-07-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bacillus subtilis YngB contributes to wall teichoic acid glucosylation and glycolipid formation during anaerobic growth.
J.Biol.Chem., 296, 2021
7YRN
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BU of 7yrn by Molmil
Cyro-EM structure of HCMV glycoprotein B in complex with 1B03 Fab
分子名称: 1B03 Fab antibody Heavy Chain, 1B03 Fab antibody Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, H, Zhu, S, Liao, H.
登録日2022-08-10
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Cyro-EM structure of HCMV glycoprotein B in complex with 1B03 Fab
To Be Published
3J09
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BU of 3j09 by Molmil
High resolution helical reconstruction of the bacterial p-type ATPase copper transporter CopA
分子名称: copper-exporting P-type ATPase A
著者Wu, C, Allen, G.S, Cardozo, T, Stokes, D.L.
登録日2011-05-09
公開日2011-08-24
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献The Architecture of CopA from Archeaoglobus fulgidus Studied by Cryo-Electron Microscopy and Computational Docking.
Structure, 19, 2011
3J08
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BU of 3j08 by Molmil
High resolution helical reconstruction of the bacterial p-type ATPase copper transporter CopA
分子名称: copper-exporting P-type ATPase A
著者Wu, C, Allen, G.S, Cardozo, T, Stokes, D.L.
登録日2011-05-09
公開日2011-08-24
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献The Architecture of CopA from Archeaoglobus fulgidus Studied by Cryo-Electron Microscopy and Computational Docking.
Structure, 19, 2011
5W0X
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BU of 5w0x by Molmil
Crystal structure of mouse TOR signaling pathway regulator-like (TIPRL) delta 94-103
分子名称: TIP41-like protein
著者Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y.
登録日2017-06-01
公開日2018-01-17
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.717 Å)
主引用文献Methylation-regulated decommissioning of multimeric PP2A complexes.
Nat Commun, 8, 2017
5W0W
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BU of 5w0w by Molmil
Crystal structure of Protein Phosphatase 2A bound to TIPRL
分子名称: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform, ...
著者Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y.
登録日2017-06-01
公開日2018-01-17
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Methylation-regulated decommissioning of multimeric PP2A complexes.
Nat Commun, 8, 2017
7CR6
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BU of 7cr6 by Molmil
Synechocystis Cas1-Cas2/prespacer binary complex
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER)
著者Yu, Y, Chen, Q.
登録日2020-08-12
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.72 Å)
主引用文献Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
7CR8
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BU of 7cr8 by Molmil
Synechocystis Cas1-Cas2-prespacerL complex
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER)
著者Yu, Y, Chen, Q.
登録日2020-08-12
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
9CSG
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BU of 9csg by Molmil
Human Serum Albumin Bound to Cerastecin Compound 5e
分子名称: 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid, Albumin, MYRISTIC ACID
著者Hruza, A, Klein, D.J, Ishchenko, A.
登録日2024-07-23
公開日2024-09-04
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 2024
9CSI
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BU of 9csi by Molmil
A. baumannii MsbA Bound to Cerastecin Compound 5
分子名称: 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ...
著者Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M.
登録日2024-07-23
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 2024
5XLZ
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BU of 5xlz by Molmil
The crystal structure of tubulin complexed with a benzylidene derivative of 9(10H)-anthracenone
分子名称: 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yu, Y, Chen, Q.
登録日2017-05-12
公開日2017-11-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Structure of a benzylidene derivative of 9(10H)-anthracenone in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 495, 2018
1QOM
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BU of 1qom by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE
著者Crane, B.R, Rosenfeld, R.A, Arvai, A.S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D.
登録日1999-11-15
公開日1999-12-15
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献N-Terminal Domain Swapping and Metal Ion Binding in Nitric Oxide Synthase Dimerization
Embo J., 18, 1999
5FG0
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BU of 5fg0 by Molmil
Structure of the conserved yeast listerin (Ltn1) N-terminal domain, MONOCLINIC FORM
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase listerin, POTASSIUM ION
著者Doamekpor, S.K, Lima, C.D.
登録日2015-12-19
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure and function of the yeast listerin (Ltn1) conserved N-terminal domain in binding to stalled 60S ribosomal subunits.
Proc.Natl.Acad.Sci.USA, 113, 2016
1QT1
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BU of 1qt1 by Molmil
CRYSTAL STRUCTURE OF XYLOSE ISOMERASE FROM STREPTOMYCES DIASTATICUS NO.7 M1033 AT 1.85 A RESOLUTION
分子名称: COBALT (II) ION, PROTEIN (XYLOSE ISOMERASE)
著者Niu, L, Teng, M, Zhu, X.
登録日1999-06-29
公開日2000-06-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of xylose isomerase from Streptomyces diastaticus no. 7 strain M1033 at 1.85 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
5XQ1
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BU of 5xq1 by Molmil
Structural basis of kindlin-mediated integrin recognition and activation
分子名称: Fermitin family homolog 2,Integrin beta-3
著者Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z.
登録日2017-06-05
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.954 Å)
主引用文献Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7S5H
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BU of 7s5h by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 35
分子名称: (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ...
著者Orth, P.
登録日2021-09-10
公開日2021-11-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.272 Å)
主引用文献A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
7S5G
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BU of 7s5g by Molmil
PCSK9 in complex with compound 19
分子名称: (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ...
著者Orth, P.
登録日2021-09-10
公開日2021-11-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021

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