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7D7L
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BU of 7d7l by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155
Descriptor: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7Z5D
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BU of 7z5d by Molmil
VP2-only capsid of wt MVM prototype strain p
Descriptor: Capsid protein VP1
Authors:Luque, D, Ortega-Esteban, A, Valbuena, A, Vilas, J.L, Rodriguez-Huete, A, Mateu, M.G, Caston, J.R.
Deposit date:2022-03-09
Release date:2023-03-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Equilibrium Dynamics of a Biomolecular Complex Analyzed at Single-amino Acid Resolution by Cryo-electron Microscopy.
J.Mol.Biol., 435, 2023
5HRV
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BU of 5hrv by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Descriptor: 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
Authors:Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
Deposit date:2016-01-24
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5HOU
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BU of 5hou by Molmil
Solution Structure of p53TAD-TAZ1
Descriptor: Cellular tumor antigen p53,CREB-binding protein fusion protein, ZINC ION
Authors:Krois, A.S, Ferreon, J.C, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2016-01-19
Release date:2016-03-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition of the disordered p53 transactivation domain by the transcriptional adapter zinc finger domains of CREB-binding protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
7DR4
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BU of 7dr4 by Molmil
Complex of anti-human IL-2 antibody and human IL-2
Descriptor: Interleukin-2, anti-human IL-2 antibody, mouse Ig G, ...
Authors:Kim, M.S, Kim, J.E.
Deposit date:2020-12-25
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal structure of human interleukin-2 in complex with TCB2, a new antibody-drug candidate with antitumor activity.
Oncoimmunology, 10, 2021
5HSJ
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BU of 5hsj by Molmil
Structure of tyrosine decarboxylase complex with PLP at 1.9 Angstroms resolution
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putative decarboxylase
Authors:Ni, Y, Zhou, J, Zhu, H, Zhang, K.
Deposit date:2016-01-25
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
6LBW
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BU of 6lbw by Molmil
Crystal structure of Ag-mediated base pairs in uncanonical DNA duplex
Descriptor: DNA (5'-D(*CP*GP*(CBR)P*GP*AP*(LCC)P*TP*CP*GP*CP*G)-3'), SILVER ION
Authors:Aoyama, H, Obika, S, Nakagawa, O.
Deposit date:2019-11-15
Release date:2020-11-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Crystallographic Structure of Novel Types of Ag I -Mediated Base Pairs in Non-canonical DNA Duplex Containing 2'-O,4'-C-Methylene Bridged Nucleic Acids.
Chemistry, 27, 2021
4HS2
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BU of 4hs2 by Molmil
Crystal Structure of the Human SPOP C-terminal Domain
Descriptor: Speckle-type POZ protein
Authors:Van Geersdaele, L.K, Stead, M.A, Carr, S.B, Wright, S.C.
Deposit date:2012-10-29
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural basis of high-order oligomerization of the cullin-3 adaptor SPOP.
Acta Crystallogr.,Sect.D, 69, 2013
7ZCD
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BU of 7zcd by Molmil
Mutant L39Y-L58F of recombinant bovine beta-lactoglobulin in complex with pramocaine
Descriptor: Beta-lactoglobulin, Pramocaine, SULFATE ION
Authors:Loch, J.I, Kurpiewska, K, Bonarek, P.
Deposit date:2022-03-27
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:beta-Lactoglobulin variants as potential carriers of pramoxine: Comprehensive structural and biophysical studies.
J.Mol.Recognit., 36, 2023
2GIC
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BU of 2gic by Molmil
Crystal Structure of a vesicular stomatitis virus nucleocapsid-RNA complex
Descriptor: 45-MER, Nucleocapsid protein, URANYL (VI) ION
Authors:Green, T.J, Zhang, X, Wertz, G.W, Luo, M.
Deposit date:2006-03-28
Release date:2006-08-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structure of the vesicular stomatitis virus nucleoprotein-RNA complex unveils how the RNA is sequestered
Science, 313, 2006
5HT7
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BU of 5ht7 by Molmil
Crystal structure of a transition-metal-ion-binding betagamma-crystallin from Methanosaeta thermophila
Descriptor: FE (II) ION, Uncharacterized protein
Authors:Srivastava, S.S, Sankaranarayanan, R.
Deposit date:2016-01-26
Release date:2017-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:A Transition Metal-Binding, Trimeric beta gamma-Crystallin from Methane-Producing Thermophilic Archaea, Methanosaeta thermophila
Biochemistry, 56, 2017
4GLN
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BU of 4gln by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {D-Protein Antagonist plus VEGF-A} Protein Complex in space group P21/n
Descriptor: D-RFX001, Vascular endothelial growth factor A
Authors:Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H.
Deposit date:2012-08-14
Release date:2012-09-05
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
8QCX
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BU of 8qcx by Molmil
Cryo-EM structure of the inward-facing FLVCR2
Descriptor: Heme transporter FLVCR2
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
7D7K
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BU of 7d7k by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in apo form
Descriptor: 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
5HQI
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BU of 5hqi by Molmil
Insulin with proline analog HzP at position B28 in the T2 state
Descriptor: Insulin A-Chain, Insulin B-Chain
Authors:Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
Deposit date:2016-01-21
Release date:2017-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
4GF9
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BU of 4gf9 by Molmil
Structural insights into the dual strategy of recognition of peptidoglycan recognition protein, PGRP-S: ternary complex of PGRP-S with LPS and fatty acid
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, Peptidoglycan recognition protein 1, ...
Authors:Sharma, P, Dube, D, Sinha, M, Yadav, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-08-03
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the dual strategy of recognition by peptidoglycan recognition protein, PGRP-S: structure of the ternary complex of PGRP-S with lipopolysaccharide and stearic acid.
Plos One, 8, 2013
7DC0
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BU of 7dc0 by Molmil
Crystal structure of glycan-free Pseudomonas taiwanensis lectin
Descriptor: Lectin, SULFATE ION
Authors:Oda, K, Matoba, Y.
Deposit date:2020-10-23
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Lectins engineered to favor a glycan-binding conformation have enhanced antiviral activity.
J.Biol.Chem., 296, 2021
7DKG
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BU of 7dkg by Molmil
Influenza H5N1 nucleoprotein (truncated) in complex with nucleotides
Descriptor: Nucleoprotein, RNA (5'-R(P*(OMU)P*(OMU)P*(OMU))-3')
Authors:Tang, Y.S, Xu, S, Chen, Y.W, Wang, J.H, Shaw, P.C.
Deposit date:2020-11-24
Release date:2021-04-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of influenza nucleoprotein complexed with nucleic acid provide insights into the mechanism of RNA interaction.
Nucleic Acids Res., 49, 2021
6LFN
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BU of 6lfn by Molmil
Crystal structure of LpCGTb
Descriptor: LpCGTb, PHOSPHATE ION
Authors:Gao, H.M, Yun, C.H.
Deposit date:2019-12-03
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
4GMV
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BU of 4gmv by Molmil
Crystal Structure of the coiled-coil, RA and PH domains of Lamellipodin
Descriptor: Ras-associated and pleckstrin homology domains-containing protein 1
Authors:Chang, Y.C.E, Wu, J.
Deposit date:2012-08-16
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Crystal structure of Lamellipodin implicates diverse functions in actin polymerization and Ras signaling.
Protein Cell, 4, 2013
7Z3Y
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BU of 7z3y by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545
Descriptor: 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, GLYCEROL, N-glycosylase/DNA lyase, ...
Authors:Scaletti, E.R, Stenmark, P.
Deposit date:2022-03-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545
To Be Published
7Z5B
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BU of 7z5b by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546
Descriptor: 2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Scaletti, E, Stenmark, P.
Deposit date:2022-03-08
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546
To Be Published
7DC4
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BU of 7dc4 by Molmil
Crystal structure of glycan-bound Pseudomonas taiwanensis lectin
Descriptor: Lectin, SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose
Authors:Oda, K, Matoba, Y.
Deposit date:2020-10-23
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Lectins engineered to favor a glycan-binding conformation have enhanced antiviral activity.
J.Biol.Chem., 296, 2021
7DPF
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BU of 7dpf by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion
Descriptor: Capsid protein VP4, PALMITIC ACID, VP2, ...
Authors:Zheng, Q, Li, S.
Deposit date:2020-12-18
Release date:2021-05-05
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7Z5R
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BU of 7z5r by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035
Descriptor: (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Scaletti, E, Stenmark, P.
Deposit date:2022-03-09
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035
To Be Published

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PDB entries from 2024-07-17

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