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7JYU
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BU of 7jyu by Molmil
Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Nguyen, A.T, Szeto, C, Rossjohn, J, Gras, S.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
7JYW
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BU of 7jyw by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWIIRNW, an 9-mer influenza epitope
Descriptor: Beta-2-microglobulin, CALCIUM ION, MHC class I antigen, ...
Authors:Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
7JYX
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BU of 7jyx by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWIIRNWET, an 11-mer epitope from Influenza
Descriptor: Beta-2-microglobulin, MHC class I antigen, PB2 peptide from Influenza, ...
Authors:Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
7C2V
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BU of 7c2v by Molmil
Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948
Descriptor: 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Krishnamurthy, N.R, Robert, B.
Deposit date:2020-05-09
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
Acs Med.Chem.Lett., 11, 2020
5W6Z
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BU of 5w6z by Molmil
Crystal structure of the H24W mutant of HsNUDT16
Descriptor: SODIUM ION, U8 snoRNA-decapping enzyme
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-06-18
Release date:2018-12-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
7C2W
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BU of 7c2w by Molmil
Crystal Structure of IRAK4 kinase in complex with a small molecule inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
Authors:Krishnamurthy, N.R, Anirudha, L.
Deposit date:2020-05-09
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
Acs Med.Chem.Lett., 11, 2020
5W6X
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BU of 5w6x by Molmil
Crystal structure of the HsNUDT16 in complex with Mg+2 and ADP-ribose
Descriptor: ACETIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, DI(HYDROXYETHYL)ETHER, ...
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-06-18
Release date:2018-12-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
4JF6
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BU of 4jf6 by Molmil
Structure of OXA-23 at pH 7.0
Descriptor: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
6GG0
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BU of 6gg0 by Molmil
Cryo-EM structure of BK polyomavirus like particle in complex with single chain antibody ScFv41F17
Descriptor: Capsid protein VP1, Heavy chain, light chain
Authors:Srinivas, H.
Deposit date:2018-05-02
Release date:2019-03-06
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Human Memory B Cells Harbor Diverse Cross-Neutralizing Antibodies against BK and JC Polyomaviruses.
Immunity, 50, 2019
5OP0
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BU of 5op0 by Molmil
Structure of Prim-PolC from Mycobacterium smegmatis
Descriptor: DNA polymerase LigD, polymerase domain
Authors:Brissett, N.C, Doherty, A.J.
Deposit date:2017-08-09
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:DNA Ligase C and Prim-PolC participate in base excision repair in mycobacteria.
Nat Commun, 8, 2017
6ZMD
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BU of 6zmd by Molmil
Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP
Descriptor: Endoplasmic reticulum chaperone BiP, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Fauser, J, Gulen, B, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V.
Deposit date:2020-07-02
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD.
Nat Commun, 12, 2021
6ZSL
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BU of 6zsl by Molmil
Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution
Descriptor: PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-07-15
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7A2B
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BU of 7a2b by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q207D
Descriptor: MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Bischoff, D, Hermann, J, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-08-17
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
6H7W
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BU of 6h7w by Molmil
Model of retromer-Vps5 complex assembled on membrane.
Descriptor: Putative vacuolar protein sorting-associated protein, Vacuolar protein sorting-associated protein 26-like protein, Vacuolar protein sorting-associated protein 29, ...
Authors:Kovtun, O, Leneva, N, Ariotti, N, Rohan, T.S, Owen, D.J, Briggs, J.A.G, Collins, B.M.
Deposit date:2018-07-31
Release date:2018-09-26
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (11.4 Å)
Cite:Structure of the membrane-assembled retromer coat determined by cryo-electron tomography.
Nature, 561, 2018
6BFH
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BU of 6bfh by Molmil
Structure of the kanamycin complex of aminoglycoside acetyltransferase AAC(6')-Im
Descriptor: Aminoglycoside acetyltransferase, GLYCEROL, KANAMYCIN A
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2017-10-26
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aminoglycoside resistance profile and structural architecture of the aminoglycoside acetyltransferase AAC(6')-Im.
Microb Cell, 4, 2017
5VY2
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BU of 5vy2 by Molmil
Crystal structure of the F36A mutant of HsNUDT16
Descriptor: SODIUM ION, U8 snoRNA-decapping enzyme
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-05-24
Release date:2018-11-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
4C46
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BU of 4c46 by Molmil
ANDREI-N-LVPAS fused to GCN4 adaptors
Descriptor: BROMIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H.
Deposit date:2013-08-30
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors.
J.Struct.Biol., 186, 2014
4JF4
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BU of 4jf4 by Molmil
OXA-23 meropenem complex
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
Authors:Smith, C.A, Vakulenko, S.B, Toth, M.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
5W8M
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BU of 5w8m by Molmil
Crystal structure of Chaetomium thermophilum Vps29
Descriptor: GLYCEROL, TRIETHYLENE GLYCOL, Vacuolar protein sorting-associated protein 29
Authors:Collins, B.M, Leneva, N.
Deposit date:2017-06-21
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure of the membrane-assembled retromer coat determined by cryo-electron tomography.
Nature, 561, 2018
5WJI
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BU of 5wji by Molmil
Crystal structure of the F61S mutant of HsNUDT16
Descriptor: ACETIC ACID, CHLORIDE ION, SULFATE ION, ...
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-07-23
Release date:2018-10-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
6BFF
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BU of 6bff by Molmil
Structure of the aminoglycoside acetyltransferase AAC(6')-Im
Descriptor: Aminoglycoside acetyltransferase, MAGNESIUM ION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2017-10-26
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Aminoglycoside resistance profile and structural architecture of the aminoglycoside acetyltransferase AAC(6')-Im.
Microb Cell, 4, 2017
7KMU
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BU of 7kmu by Molmil
Structure of WT Malaysian Banana Lectin
Descriptor: 1,2-ETHANEDIOL, Jacalin-type lectin domain-containing protein
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2020-11-03
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity.
Sci Rep, 11, 2021
6IBL
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BU of 6ibl by Molmil
ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST FORMOTEROL AND NANOBODY Nb80
Descriptor: Camelid antibody fragment Nb80, HEGA-10, SODIUM ION, ...
Authors:Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G.
Deposit date:2018-11-30
Release date:2019-01-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of beta-arrestin coupling to formoterol-bound beta1-adrenoceptor.
Nature, 583, 2020
7K0V
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BU of 7k0v by Molmil
Crystal structure of bRaf in complex with inhibitor GNE-0749
Descriptor: CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase
Authors:Yin, J, Eigenbrot, C.E, Wang, W.
Deposit date:2020-09-06
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
7KMV
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BU of 7kmv by Molmil
Structure of Malaysian Banana Lectin F84T
Descriptor: Jacalin-type lectin domain-containing protein, SULFATE ION
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2020-11-03
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity.
Sci Rep, 11, 2021

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