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6MUF
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BU of 6muf by Molmil
Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.4 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-23
Release date:2019-01-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
7S8R
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BU of 7s8r by Molmil
Crystal Structure of HLA A*1101 in complex with SALEWIKNK, an 9-mer epitope from Influenza B
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2021-09-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
7S8S
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BU of 7s8s by Molmil
Crystal Structure of HLA A*1101 in complex with RVLVNGTFLK, an 10-mer epitope from Influenza B
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2021-09-19
Release date:2022-02-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
7S8Q
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BU of 7s8q by Molmil
Crystal Structure of HLA A*1101 in complex with KTNGNAFIGK, an 10-mer epitope from Influenza B
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2021-09-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people.
Plos Pathog., 18, 2022
6N0Q
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BU of 6n0q by Molmil
BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
Descriptor: N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
1T9V
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BU of 1t9v by Molmil
Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump
Descriptor: Acriflavine resistance protein B, RHODAMINE 6G
Authors:Yu, E.W, McDermott, G, Nikaido, H.
Deposit date:2004-05-18
Release date:2005-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:A Periplasmic Drug-Binding Site of the AcrB Multidrug Efflux Pump: a Crystallographic and Site-Directed Mutagenesis Study
J.Bacteriol., 187, 2005
6N16
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BU of 6n16 by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-b.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV fusion peptide (512-519), antibody 0PV-b.01 Fab heavy chain, antibody 0PV-b.01 Fab light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-11-08
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6N7B
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BU of 6n7b by Molmil
Structure of the human JAK1 kinase domain with compound 38
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N81
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BU of 6n81 by Molmil
Crystal structure of GII.4 2002 norovirus P domain in complex with cross-reactive human antibody A1227
Descriptor: A1227 Fab heavy chain, A1227 Fab light chain, Major capsid protein
Authors:Changela, A, Verardi, R, Kwong, P.D.
Deposit date:2018-11-28
Release date:2019-06-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.579 Å)
Cite:Sera Antibody Repertoire Analyses Reveal Mechanisms of Broad and Pandemic Strain Neutralizing Responses after Human Norovirus Vaccination.
Immunity, 50, 2019
6MTN
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BU of 6mtn by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor Compound 484 in Complex with Human Antibodies 3H109L and 35O22 at 3.0 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-20
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MU8
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BU of 6mu8 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MNS
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BU of 6mns by Molmil
Rhesus macaque anti-HIV V3 antibody DH753 with gp120 V3 ZAM18 peptide
Descriptor: Ab DH753 heavy chain Fab fragment, Ab DH753 light chain, Envelope glylcoprotein, ...
Authors:Nicely, N.I.
Deposit date:2018-10-02
Release date:2019-07-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations.
Nat Commun, 10, 2019
6MQO
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BU of 6mqo by Molmil
Structure of HIV-1 CA G208R
Descriptor: Capsid protein, IODIDE ION
Authors:Smaga, S.S, Xiong, Y.
Deposit date:2018-10-10
Release date:2019-06-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:MxB Restricts HIV-1 by Targeting the Tri-hexamer Interface of the Viral Capsid.
Structure, 27, 2019
7S76
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BU of 7s76 by Molmil
HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION
Descriptor: (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein
Authors:Olland, A.M, Suto, R.K.
Deposit date:2021-09-15
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.
Rsc Med Chem, 13, 2022
1U70
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BU of 1u70 by Molmil
Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2004-08-02
Release date:2005-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Understanding the role of Leu22 variants in methotrexate resistance: comparison of wild-type and Leu22Arg variant mouse and human dihydrofolate reductase ternary crystal complexes with methotrexate and NADPH.
Acta Crystallogr.,Sect.D, 61, 2005
6MNY
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BU of 6mny by Molmil
Crystal structure of mouse BTK kinase domain in complex with compound 9a
Descriptor: 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase
Authors:Han, S, Caspers, N, Ohren, J.O.
Deposit date:2018-10-03
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.
ACS Med Chem Lett, 10, 2019
6MY0
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BU of 6my0 by Molmil
Structure of 53BP1 Tandem Tudor domains with E1549P and D1550N mutations
Descriptor: TP53-binding protein 1
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2018-10-31
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering.
Nat Commun, 14, 2023
7SGT
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BU of 7sgt by Molmil
Domain III (EDIII) of the POWV E glycoprotein
Descriptor: Envelope protein E
Authors:Harris, R, Cahill, S.M, Cowburn, D.
Deposit date:2021-10-07
Release date:2022-05-18
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:A Powassan virus domain III nanoparticle immunogen elicits neutralizing and protective antibodies in mice.
Plos Pathog., 18, 2022
6N1W
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BU of 6n1w by Molmil
Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody DFPH-a.15 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, DFPH-a.15 Light chain, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2018-11-12
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
1UAD
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BU of 1uad by Molmil
Crystal structure of the RalA-GppNHp-Sec5 Ral-binding domain complex
Descriptor: Exocyst complex component Sec5, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Fukai, S, Matern, H.T, Scheller, R.H, Brunger, A.T.
Deposit date:2003-03-09
Release date:2003-07-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of the interaction between RalA and Sec5, a subunit of the Sec6/8 complex
EMBO J., 22, 2003
7SAV
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BU of 7sav by Molmil
Native mu-conotoxin KIIIA isomer
Descriptor: Mu-conotoxin KIIIA
Authors:Schroeder, C.I, Tran, H.N.T.
Deposit date:2021-09-23
Release date:2022-05-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional insights into the inhibition of human voltage-gated sodium channels by mu-conotoxin KIIIA disulfide isomers.
J.Biol.Chem., 298, 2022
6MQG
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BU of 6mqg by Molmil
Crystal structure of KRAS V14I-GDP demonstrating open switch 1 conformation - Form 1
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-09
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of the atypical activation mechanism of KRASV14I.
J.Biol.Chem., 294, 2019
6N1V
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BU of 6n1v by Molmil
Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody A12V163-a.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, A12V163-a.01 Heavy chain, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2018-11-12
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
1UDX
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BU of 1udx by Molmil
Crystal structure of the conserved protein TT1381 from Thermus thermophilus HB8
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, the GTP-binding protein Obg
Authors:Kukimoto-Niino, M, Shirouzu, M, Murayama, K, Inoue, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-07
Release date:2004-03-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of the GTP-binding protein Obg from Thermus thermophilus HB8.
J.Mol.Biol., 337, 2004
7RU1
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BU of 7ru1 by Molmil
SARS-CoV-2-6P-Mut7 S protein (C3 symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022

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