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2M9L
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BU of 2m9l by Molmil
Solution structure of protoxin-1
Descriptor: Beta-theraphotoxin-Tp1a
Authors:Daly, N.
Deposit date:2013-06-13
Release date:2014-04-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A tarantula-venom peptide antagonizes the TRPA1 nociceptor ion channel by binding to the S1-S4 gating domain.
Curr.Biol., 24, 2014
7V2A
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BU of 7v2a by Molmil
SARS-CoV-2 Spike trimer in complex with XG014 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
Authors:Wang, K, Wang, X, Pan, L.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
7V26
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BU of 7v26 by Molmil
XG005-bound SARS-CoV-2 S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
Authors:Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
4HL8
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BU of 4hl8 by Molmil
Re-refinement of the vault ribonucleoprotein particle
Descriptor: Major vault protein
Authors:Casanas, A, Querol-Audi, J, Guerra, P, Pous, J, Tanaka, H, Tsukihara, T, Verdaguer, V, Fita, I.
Deposit date:2012-10-16
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:New features of vault architecture and dynamics revealed by novel refinement using the deformable elastic network approach.
Acta Crystallogr.,Sect.D, 69, 2013
5WTW
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BU of 5wtw by Molmil
Hepatitis B virus core protein Y132A mutant in P 41 21 2 Space Group
Descriptor: CHLORIDE ION, Core protein
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2016-12-15
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
5WRE
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BU of 5wre by Molmil
Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01)
Descriptor: (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2016-12-01
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
7VNU
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BU of 7vnu by Molmil
Crystal structure of the N-terminal domain of SARS-CoV-2 nucleocapsid protein
Descriptor: ACETATE ION, Nucleoprotein
Authors:Zhou, R.J, Ni, X.C, Lei, J.
Deposit date:2021-10-12
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into ribonucleoprotein dissociation by nucleocapsid protein interacting with non-structural protein 3 in SARS-CoV-2.
Commun Biol, 6, 2023
8HGW
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BU of 8hgw by Molmil
Crystal structure of MehpH in complex with MBP
Descriptor: 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID
Authors:Zhang, Z.M, Wang, Y.J, Chen, Y.B.
Deposit date:2022-11-15
Release date:2023-03-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.80001163 Å)
Cite:Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
8HGV
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BU of 8hgv by Molmil
Crystal structure of monoalkyl phthalate hydrolase MehpH
Descriptor: Monoethylhexylphthalate hydrolase
Authors:Zhang, Z.M, Wang, Y.J, Chen, Y.B.
Deposit date:2022-11-15
Release date:2023-03-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.30006242 Å)
Cite:Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
2EK5
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BU of 2ek5 by Molmil
Crystal structure of the transcriptional factor from C.glutamicum at 2.2 angstrom resolution
Descriptor: Predicted transcriptional regulators
Authors:Gao, Y.G, Yao, M, Tanaka, I.
Deposit date:2007-03-22
Release date:2007-09-18
Last modified:2020-09-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structures of transcription factor CGL2947 from Corynebacterium glutamicum in two crystal forms: A novel homodimer assembling and the implication for effector-binding mode
Protein Sci., 16, 2007
6W4Q
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BU of 6w4q by Molmil
Crystal structure of full-length tailspike protein 2 (TSP2, ORF211) ) from Escherichia coli O157:H7 bacteriophage CAB120
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
Authors:Greenfield, J, Herzberg, O.
Deposit date:2020-03-11
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7.
Sci Rep, 10, 2020
8HIT
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BU of 8hit by Molmil
Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4
Descriptor: Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL
Authors:Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J.
Deposit date:2022-11-21
Release date:2023-02-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
4U93
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BU of 4u93 by Molmil
Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990
Descriptor: (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one, Heat shock protein HSP 90-alpha
Authors:Bellamacina, C.R, Shafer, C.M, Bussiere, D.
Deposit date:2014-08-05
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990.
J.Med.Chem., 57, 2014
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Descriptor: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-07-07
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7MK3
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BU of 7mk3 by Molmil
Crystal structure of NPR1
Descriptor: CHLORIDE ION, GLYCEROL, Regulatory protein NPR1, ...
Authors:Cheng, J, Wu, Q, Zhou, P.
Deposit date:2021-04-21
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
4QXE
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BU of 4qxe by Molmil
Crystal structure of LGR4 fused with hagfish VLR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Xu, J.G, Huang, C, Zhu, Y.
Deposit date:2014-07-20
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of LGR4 fused with hagfish VLR
TO BE PUBLISHED
8G0M
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BU of 8g0m by Molmil
Structure of complex between TV6.6 and CD98hc ECD
Descriptor: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ...
Authors:Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C.
Deposit date:2023-01-31
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:CD98hc is a target for brain delivery of biotherapeutics.
Nat Commun, 14, 2023
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:QCRG Structural Biology Consortium
Deposit date:2020-10-09
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
3X3M
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BU of 3x3m by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121
Descriptor: CALCIUM ION, ESX-1 secretion system protein EccB1
Authors:Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
Deposit date:2015-01-24
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
8QJS
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BU of 8qjs by Molmil
VHL/Elongin B/Elongin C complex with compound 155
Descriptor: (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
Deposit date:2023-09-13
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.191 Å)
Cite:PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJR
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BU of 8qjr by Molmil
BRG1 bromodomain in complex with VBC via compound 17
Descriptor: (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ...
Authors:Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
Deposit date:2023-09-13
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJT
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BU of 8qjt by Molmil
BRM (SMARCA2) Bromodomain in complex with ligand 10
Descriptor: 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ...
Authors:Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
Deposit date:2023-09-13
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.568 Å)
Cite:PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8HGH
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BU of 8hgh by Molmil
Structure of 2:2 PAPP-A.STC2 complex
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-11-14
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8HGG
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BU of 8hgg by Molmil
Structure of 2:2 PAPP-A.ProMBP complex
Descriptor: Bone marrow proteoglycan, Pappalysin-1, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-11-14
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8H2X
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BU of 8h2x by Molmil
Structure of Acb2
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, p26
Authors:Feng, Y, Cao, X.L.
Deposit date:2022-10-07
Release date:2023-02-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023

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PDB entries from 2024-08-07

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