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4M6B
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BU of 4m6b by Molmil
Crystal structure of yeast Swr1-Z domain in complex with H2A.Z-H2B dimer
Descriptor: Chimera protein of Histone H2B.1 and Histone H2A.Z, Helicase SWR1
Authors:Hong, J.J, Feng, H.Q, Wang, F, Ranjan, A, Chen, J.H, Jiang, J.S, Girlando, R, Xiao, T.S, Wu, C, Bai, Y.W.
Deposit date:2013-08-09
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Catalytic Subunit of the SWR1 Remodeler Is a Histone Chaperone for the H2A.Z-H2B Dimer.
Mol.Cell, 53, 2014
7YDX
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BU of 7ydx by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound RI-962
Descriptor: 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
Authors:Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S.
Deposit date:2022-07-04
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.642 Å)
Cite:Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
6IMG
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BU of 6img by Molmil
Solution Structure of Bicyclic Peptide pb-13
Descriptor: (ACE)-GLY-CYS-PRO-CYS-ILE-TRP-PRO-GLU-LEU-CYS-PRO-TRP-ILE-ARG-SER-CYS-(NH2)
Authors:Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C.
Deposit date:2018-10-22
Release date:2019-08-28
Method:SOLUTION NMR
Cite:Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns.
Chembiochem, 20, 2019
7ELY
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BU of 7ely by Molmil
A peptide with high affinity for B-Cell lymphoma2(Bcl-2)
Descriptor: 16X_BCL
Authors:Fan, S, Zha, J, Wu, C.
Deposit date:2021-04-12
Release date:2021-05-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:An evolution-inspired strategy to design disulfide-rich peptides tolerant to extensive sequence manipulation.
Chem Sci, 12, 2021
6IMH
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BU of 6imh by Molmil
Solution Structure of Bicyclic Peptide pb-18
Descriptor: (ACE)-GLY-CYS-PRO-CYS-GLU-PRO-SER-TYR-LEU-CYS-PRO-TRP-LEU-PRO-GLY-CYS-(NH2)
Authors:Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C.
Deposit date:2018-10-22
Release date:2019-08-28
Method:SOLUTION NMR
Cite:Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns.
Chembiochem, 20, 2019
7XGD
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BU of 7xgd by Molmil
Cryo-EM structure of Apo-IGF1R map 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor 1 receptor
Authors:Zhang, X, Wu, C.
Deposit date:2022-04-04
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: Alpha-fetoprotein
Authors:Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W.
Deposit date:2022-07-17
Release date:2023-01-18
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
5W0W
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BU of 5w0w by Molmil
Crystal structure of Protein Phosphatase 2A bound to TIPRL
Descriptor: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform, ...
Authors:Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y.
Deposit date:2017-06-01
Release date:2018-01-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Methylation-regulated decommissioning of multimeric PP2A complexes.
Nat Commun, 8, 2017
7YRN
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BU of 7yrn by Molmil
Cyro-EM structure of HCMV glycoprotein B in complex with 1B03 Fab
Descriptor: 1B03 Fab antibody Heavy Chain, 1B03 Fab antibody Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, H, Zhu, S, Liao, H.
Deposit date:2022-08-10
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite: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
Descriptor: copper-exporting P-type ATPase A
Authors:Wu, C, Allen, G.S, Cardozo, T, Stokes, D.L.
Deposit date:2011-05-09
Release date:2011-08-24
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10 Å)
Cite: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
Descriptor: copper-exporting P-type ATPase A
Authors:Wu, C, Allen, G.S, Cardozo, T, Stokes, D.L.
Deposit date:2011-05-09
Release date:2011-08-24
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10 Å)
Cite:The Architecture of CopA from Archeaoglobus fulgidus Studied by Cryo-Electron Microscopy and Computational Docking.
Structure, 19, 2011
7B1R
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BU of 7b1r by Molmil
Crystal structure of B. subtilis glucose-1-phosphate uridylyltransferase YngB
Descriptor: Probable UTP--glucose-1-phosphate uridylyltransferase YngB
Authors:Wu, C, Morgan, R.M.L, Freemont, P, Grundling, A.
Deposit date:2020-11-25
Release date:2021-02-10
Last modified:2021-07-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bacillus subtilis YngB contributes to wall teichoic acid glucosylation and glycolipid formation during anaerobic growth.
J.Biol.Chem., 296, 2021
7CR6
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BU of 7cr6 by Molmil
Synechocystis Cas1-Cas2/prespacer binary complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER)
Authors:Yu, Y, Chen, Q.
Deposit date:2020-08-12
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.72 Å)
Cite: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
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER)
Authors:Yu, Y, Chen, Q.
Deposit date:2020-08-12
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
5W0X
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BU of 5w0x by Molmil
Crystal structure of mouse TOR signaling pathway regulator-like (TIPRL) delta 94-103
Descriptor: TIP41-like protein
Authors:Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y.
Deposit date:2017-06-01
Release date:2018-01-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.717 Å)
Cite:Methylation-regulated decommissioning of multimeric PP2A complexes.
Nat Commun, 8, 2017
8C3A
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BU of 8c3a by Molmil
Crystal structure of ailanthone bound to the Candida albicans 80S ribosome
Descriptor: 18S, 25S, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ...
Authors:Kolosova, O, Zgadzay, Y, Yusupov, M.
Deposit date:2022-12-23
Release date:2024-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:New crystal system to promote screening for new eukaryotic inhibitors
To Be Published
2R82
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BU of 2r82 by Molmil
Pyruvate phosphate dikinase (PPDK) triple mutant R219E/E271R/S262D adapts a second conformational state
Descriptor: Pyruvate, phosphate dikinase, SULFATE ION
Authors:Lim, K, Read, R.J, Chen, C.C, Herzberg, O.
Deposit date:2007-09-10
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Swiveling domain mechanism in pyruvate phosphate dikinase.
Biochemistry, 46, 2007
6XIE
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BU of 6xie by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 77
Descriptor: GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XIB
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BU of 6xib by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 30
Descriptor: GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.546 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XIC
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BU of 6xic by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 40
Descriptor: GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XID
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BU of 6xid by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 51
Descriptor: GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
7S5H
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BU of 7s5h by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 35
Descriptor: (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Orth, P.
Deposit date:2021-09-10
Release date:2021-11-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.272 Å)
Cite: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
Descriptor: (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ...
Authors:Orth, P.
Deposit date:2021-09-10
Release date:2021-11-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
7YQE
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BU of 7yqe by Molmil
Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
Descriptor: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
Authors:Song, G, Xu, S.
Deposit date:2022-08-06
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024
8IF8
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BU of 8if8 by Molmil
Arabinosyltransferase AftA
Descriptor: CALCIUM ION, Galactan 5-O-arabinofuranosyltransferase
Authors:Gong, Y.C, Rao, Z.H, Zhang, L.
Deposit date:2023-02-17
Release date:2023-05-31
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 120, 2023

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数据于2024-07-17公开中

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