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6CDO
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BU of 6cdo by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDP
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BU of 6cdp by Molmil
Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDE
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BU of 6cde by Molmil
Cryo-EM structure at 3.8 A resolution of vaccine-elicited antibody vFP20.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ...
Authors:Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6L9J
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BU of 6l9j by Molmil
Structure of yeast Snf5 and Swi3 subcomplex
Descriptor: GLYCEROL, SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF complex subunit SWI3
Authors:Long, J, Zhou, H.
Deposit date:2019-11-10
Release date:2020-11-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.642 Å)
Cite:Snf5 and Swi3 subcomplex formation is required for SWI/SNF complex function in yeast.
Biochem.Biophys.Res.Commun., 526, 2020
6LNL
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BU of 6lnl by Molmil
ASFV core shell protein p15
Descriptor: 60 kDa polyprotein
Authors:Guo, F, Shi, Y, Peng, G.
Deposit date:2019-12-30
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9286 Å)
Cite:The structural basis of African swine fever virus core shell protein p15 binding to DNA.
Faseb J., 35, 2021
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
5TKK
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BU of 5tkk by Molmil
Structure of mouse vaccination-elicited HIV neutralizing antibody vFP5.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide residue 512-519, mouse antibody vFP5.01 heavy chain, mouse antibody vFP5.01 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2016-10-06
Release date:2018-04-04
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
5TKJ
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BU of 5tkj by Molmil
Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide residue 512-519, SULFATE ION, vFP1.01 chimeric mouse antibody heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2016-10-06
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
4ZUH
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BU of 4zuh by Molmil
Complex structure of PEDV 3CLpro mutant (C144A) with a peptide substrate.
Descriptor: PEDV 3C-Like protease, peptide substrate SAVLQSGF
Authors:Ye, G, Fu, Z.F, Peng, G.Q.
Deposit date:2015-05-16
Release date:2016-06-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
7RKA
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BU of 7rka by Molmil
Crystal structure analysis of Colorado potato beetle glutathione-S transferase LdGSTu1
Descriptor: GLUTATHIONE, glutathione S-transferase u1
Authors:Moural, T.W, Zhu, F.
Deposit date:2021-07-22
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Characterization of One Unclassified Glutathione S-Transferase in Xenobiotic Adaptation of Leptinotarsa decemlineata.
Int J Mol Sci, 22, 2021
7SPG
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BU of 7spg by Molmil
Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P212121
Descriptor: CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bacik, J.P, Fasan, R, Ando, N.
Deposit date:2021-11-02
Release date:2022-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
7SPH
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BU of 7sph by Molmil
Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P21
Descriptor: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bacik, J.P, Fasan, R, Ando, N.
Deposit date:2021-11-02
Release date:2022-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
7SPE
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BU of 7spe by Molmil
Crystal structure of sperm whale myoglobin variant sMb5(O2beY)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Bacik, J.P, Fasan, R, Ando, N.
Deposit date:2021-11-02
Release date:2022-06-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
7SPF
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BU of 7spf by Molmil
Crystal structure of sperm whale myoglobin variant sMb5(pCaaF)
Descriptor: Myoglobin, NITRATE ION, OXYGEN MOLECULE, ...
Authors:Bacik, J.P, Fasan, R, Ando, N.
Deposit date:2021-11-02
Release date:2022-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
4PMH
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BU of 4pmh by Molmil
The structure of rice weevil pectin methyl esterase
Descriptor: Pectinesterase
Authors:Stenkamp, R.E, Teller, D.C, Behnke, C.A, Reeck, G.R.
Deposit date:2014-05-21
Release date:2014-11-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The structure of rice weevil pectin methylesterase.
Acta Crystallogr.,Sect.F, 70, 2014
6J9D
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BU of 6j9d by Molmil
Babesia microti lactate dehydrogenase R99A (BmLDHR99A)
Descriptor: L-lactate dehydrogenase
Authors:Yu, L.
Deposit date:2019-01-22
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
6K12
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BU of 6k12 by Molmil
Babesia microti lactate dehydrogenase apo form (BmLDH)
Descriptor: L-lactate dehydrogenase
Authors:Long, Y.
Deposit date:2019-05-09
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
6M2B
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BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
Descriptor: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Zhu, L, Li, H.
Deposit date:2020-02-27
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
6LN0
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BU of 6ln0 by Molmil
Crystal structure of three main domains of nonstructural protein 3 from Coronavirus
Descriptor: Non-structural protein 3, ZINC ION
Authors:Li, M.X, Peng, G.Q.
Deposit date:2019-12-27
Release date:2021-05-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Structure of the multiple functional domains from coronavirus nonstructural protein 3.
Emerg Microbes Infect, 10, 2021
7JUO
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BU of 7juo by Molmil
CBP bromodomain complexed with YF2-23
Descriptor: CREB-binding protein, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
Authors:Ratia, K.M, Xiong, R, Principe, D, Li, Y, Huang, F, Rana, A, Thatcher, G.
Deposit date:2020-08-20
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
8XQ3
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BU of 8xq3 by Molmil
Structure of Nipah virus Bangladesh string G protein ectodomain tetramer bound to single-domain antibody n425 at 5.87 Angstroms overall resolution
Descriptor: Nipah virus Bangladesh string G protein, alpha-D-mannopyranose-(1-3)-[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, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sun, L, Chen, Z, Sun, Y, Mao, Q.
Deposit date:2024-01-04
Release date:2024-09-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (5.87 Å)
Cite:Fully human single-domain antibody targeting a highly conserved cryptic epitope on the Nipah virus G protein.
Nat Commun, 15, 2024
8XPY
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BU of 8xpy by Molmil
Structure of Nipah virus Malaysia string G protein ectodomain monomer bound to single-domain antibody n425 at 3.63 Angstroms overall resolution
Descriptor: Glycoprotein G, alpha-D-mannopyranose-(1-3)-[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, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sun, L, Chen, Z, Sun, Y, Mao, Q.
Deposit date:2024-01-04
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Fully human single-domain antibody targeting a highly conserved cryptic epitope on the Nipah virus G protein.
Nat Commun, 15, 2024
8XPS
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BU of 8xps by Molmil
Structure of Nipah virus Bangladesh string G protein ectodomain monomer bound to single-domain antibody n425 at 3.22 Angstroms overall resolution
Descriptor: Nipah virus Bangladesh string G protein, alpha-D-mannopyranose-(1-3)-[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, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sun, L, Chen, Z, Sun, Y, Mao, Q.
Deposit date:2024-01-04
Release date:2024-09-18
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Fully human single-domain antibody targeting a highly conserved cryptic epitope on the Nipah virus G protein.
Nat Commun, 15, 2024
8JEL
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BU of 8jel by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEQ
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BU of 8jeq by Molmil
Crystal structure of Tiragolumab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024

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