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PDB: 52161 results

6EJX
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BU of 6ejx by Molmil
The metal ion-dependent adhesion site (MIDAS) of the alphaMbeta2 integrin Mac-1 I-domain promiscuously and competitively binds multiple ligands in the regulation of Leukocyte function
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Emsley, J, Saleem, M.
Deposit date:2017-09-24
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the leukocyte integrin Mac-1 I-domain interactions with the platelet glycoprotein Ib.
Blood Adv, 3, 2019
8CZ3
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BU of 8cz3 by Molmil
CryoEM structure of amplified alpha-synuclein fibril class B type I with extended core from DLB case X
Descriptor: Alpha-synuclein
Authors:Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A.
Deposit date:2022-05-24
Release date:2023-05-31
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid
To Be Published
6EK7
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BU of 6ek7 by Molmil
YaxA from Yersinia enterocolitica
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, YaxA
Authors:Braeuning, B, Groll, M.
Deposit date:2017-09-25
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
6Z1S
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BU of 6z1s by Molmil
Structure of Polyphenol Oxidase (mutant G292N) from Thermothelomyces thermophila
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dimarogona, M, Nikolaivits, E, Valmas, A, Topakas, E.
Deposit date:2020-05-14
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Considerations Regarding Activity Determinants of Fungal Polyphenol Oxidases Based on Mutational and Structural Studies.
Appl.Environ.Microbiol., 87, 2021
6Z8H
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BU of 6z8h by Molmil
Crystal structure of Variant Surface Glycoprotein VSG13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Variant surface glycoprotein MITat 1.13, ...
Authors:Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J.
Deposit date:2020-06-02
Release date:2021-03-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
6ZBV
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BU of 6zbv by Molmil
Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7
Descriptor: Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone
Authors:Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P.
Deposit date:2020-06-09
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
6ELD
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BU of 6eld by Molmil
Crystal structure of TIA-1 RRM1 in complex with U1C
Descriptor: Nucleolysin TIA-1 isoform p40,U1 small nuclear ribonucleoprotein C
Authors:Jagtap, P.K.A, Sattler, M.
Deposit date:2017-09-28
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.485 Å)
Cite:Crystal structure of TIA-1 RRM1 in complex with U1C
To Be Published
5ONF
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BU of 5onf by Molmil
The ENTH domain from epsin-1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Epsin-1
Authors:Garcia-Alai, M, GIeras, A, Meijers, R.
Deposit date:2017-08-03
Release date:2018-03-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Epsin and Sla2 form assemblies through phospholipid interfaces.
Nat Commun, 9, 2018
8CXC
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BU of 8cxc by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: 3F2 Antibody heavy chain, 3F2 Antibody light chain, Mesothelin, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-20
Release date:2023-06-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (4.31 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
8CYH
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BU of 8cyh by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-23
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
9DER
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BU of 9der by Molmil
Cryo-EM Structures of Full-Length Integrin alphaIIbbeta3 in Native Lipids Complexed with Tirofiban
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-IIb, ...
Authors:Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A.
Deposit date:2024-08-29
Release date:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Platelet integrin alpha IIb beta 3 plays a key role in a venous thrombogenesis mouse model.
Nat Commun, 15, 2024
6EO1
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BU of 6eo1 by Molmil
The electron crystallography structure of the cAMP-bound potassium channel MloK1 (PCO-refined)
Descriptor: Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION
Authors:Kowal, J, Biyani, N, Chami, M, Scherer, S, Rzepiela, A, Baumgartner, P, Upadhyay, V, Nimigean, C, Stahlberg, H.
Deposit date:2017-10-08
Release date:2017-12-27
Last modified:2024-05-15
Method:ELECTRON CRYSTALLOGRAPHY (4.5 Å)
Cite:High-Resolution Cryoelectron Microscopy Structure of the Cyclic Nucleotide-Modulated Potassium Channel MloK1 in a Lipid Bilayer.
Structure, 26, 2018
8CZ8
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BU of 8cz8 by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: Mesothelin, cleaved form, SULFATE ION, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-24
Release date:2023-06-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
9F5U
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BU of 9f5u by Molmil
Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III))
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
Authors:Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M.
Deposit date:2024-04-30
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Light-Activated Artificial CO 2 -Reductase: Structure and Activity.
J.Am.Chem.Soc., 2024
5ON7
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BU of 5on7 by Molmil
The ENTH domain from epsin-2 in complex with phosphatidylinositol 4,5-bisphosphate (PIP2)
Descriptor: Epsin-2, SULFATE ION, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Garcia-Alai, M, GIeras, A, Meijers, R.
Deposit date:2017-08-03
Release date:2018-03-07
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Epsin and Sla2 form assemblies through phospholipid interfaces.
Nat Commun, 9, 2018
6YXO
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BU of 6yxo by Molmil
Structure of the N-terminal module of the human SWI/SNF-subunit BAF155/SMARCC1
Descriptor: SWI/SNF complex subunit SMARCC1
Authors:Allen, M.D, Bycroft, M, Zinzalla, G.
Deposit date:2020-05-03
Release date:2021-04-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:SWI/SNF subunit BAF155 N-terminus structure informs the impact of cancer-associated mutations and reveals a potential drug binding site.
Commun Biol, 4, 2021
9F66
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BU of 9f66 by Molmil
Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) flash-cooled under CO2 pressure
Descriptor: 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ...
Authors:Labidi, R.J, Faivre, B, Carpentier, P, Perard, J, Gotico, P, Li, Y, Atta, M, Fontecave, M.
Deposit date:2024-04-30
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Light-Activated Artificial CO 2 -Reductase: Structure and Activity.
J.Am.Chem.Soc., 2024
5OSI
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BU of 5osi by Molmil
Structure of retromer VPS29-VPS35C subunits complexed with RidL harpin loop (163-176)
Descriptor: 1,2-ETHANEDIOL, Interaptin, SODIUM ION, ...
Authors:Romano-Moreno, M, Rojas, A.L, Lucas, M, Isupov, M.N, Hierro, A.
Deposit date:2017-08-17
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Molecular mechanism for the subversion of the retromer coat by the Legionella effector RidL.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6YXP
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BU of 6yxp by Molmil
Higher resolution structure of the N-terminal module of the human SWI/SNF-subunit BAF155/SMARCC1
Descriptor: SWI/SNF complex subunit SMARCC1
Authors:Allen, M.D, Bycroft, M, Zinzalla, G.
Deposit date:2020-05-03
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:SWI/SNF subunit BAF155 N-terminus structure informs the impact of cancer-associated mutations and reveals a potential drug binding site.
Commun Biol, 4, 2021
8DFY
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BU of 8dfy by Molmil
Crystal structure of Human BTN2A1 Ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ...
Authors:Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.552 Å)
Cite:Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8D3S
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BU of 8d3s by Molmil
HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
6YWB
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BU of 6ywb by Molmil
Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
Descriptor: 3',3'-c-[2'FdAMP-2'FdAM(PS)], Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-04-29
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)]
To Be Published
5OSY
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BU of 5osy by Molmil
Human Decapping Scavenger enzyme (hDcpS) in complex with m7G(5'S)ppSp(5'S)G mRNA 5' cap analog
Descriptor: GLYCEROL, [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid, m7GpppX diphosphatase
Authors:Warminski, M, Nowak, E, Wojtczak, B.A, Fac-Dabrowska, K, Kubacka, D, Nowicka, A, Sikorski, P.J, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2017-08-18
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:5'-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes.
J. Am. Chem. Soc., 140, 2018
8DFX
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BU of 8dfx by Molmil
Crystal structure of Human BTN2A1-BTN3A1 Ectodomain Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1
Authors:Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (5.55 Å)
Cite:Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
6E8C
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BU of 6e8c by Molmil
Crystal structure of the double homeodomain of DUX4 in complex with DNA
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4
Authors:Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H.
Deposit date:2018-07-27
Release date:2018-12-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA.
Cell Rep, 25, 2018

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