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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
2LAS
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BU of 2las by Molmil
Molecular Determinants of Paralogue-Specific SUMO-SIM Recognition
Descriptor: M-IR2_peptide, Small ubiquitin-related modifier 1
Authors:Namanja, A, Li, Y, Su, Y, Wong, S, Lu, J, Colson, L, Wu, C, Li, S, Chen, Y.
Deposit date:2011-03-20
Release date:2011-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into High Affinity Small Ubiquitin-like Modifier (SUMO) Recognition by SUMO-interacting Motifs (SIMs) Revealed by a Combination of NMR and Peptide Array Analysis.
J.Biol.Chem., 287, 2012
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
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
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
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
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
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
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
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
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
5XLZ
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BU of 5xlz by Molmil
The crystal structure of tubulin complexed with a benzylidene derivative of 9(10H)-anthracenone
Descriptor: 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2017-05-12
Release date:2017-11-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.298 Å)
Cite: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
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
5XQ1
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BU of 5xq1 by Molmil
Structural basis of kindlin-mediated integrin recognition and activation
Descriptor: Fermitin family homolog 2,Integrin beta-3
Authors:Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z.
Deposit date:2017-06-05
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.954 Å)
Cite:Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
7Q3N
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BU of 7q3n by Molmil
Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-10-28
Release date:2022-03-16
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7PFP
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BU of 7pfp by Molmil
Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-08-11
Release date:2022-03-16
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6R
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BU of 7p6r by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
Authors:Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
Deposit date:2021-07-17
Release date:2022-03-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6T
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BU of 7p6t by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
Authors:Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
Deposit date:2021-07-17
Release date:2022-03-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022

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