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PDB: 12698 results

6PVC
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BU of 6pvc by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-DB28
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-20
Release date:2020-04-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Ligand-dependent downregulation of MR1 cell surface expression.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BVV
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BU of 7bvv by Molmil
Crystal structure of sulfonic peroxiredoxin Ahp1 in complex with thioredoxin Trx2
Descriptor: Peroxiredoxin AHP1, Thioredoxin-2
Authors:Lian, F.M, Jiang, Y.L, Yang, W, Yang, X.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of sulfonic peroxiredoxin Ahp1 in complex with thioredoxin Trx2 mimics a conformational intermediate during the catalytic cycle.
Int.J.Biol.Macromol., 161, 2020
6PZV
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BU of 6pzv by Molmil
Crystal Structure of Bovine DNMT1 RFTS domain in complex with H3K9me3 and Ubiquitin
Descriptor: CITRATE ANION, DNA (cytosine-5)-methyltransferase 1, Histone H3.3, ...
Authors:Ren, W, Song, J.
Deposit date:2019-08-01
Release date:2020-07-15
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Direct readout of heterochromatic H3K9me3 regulates DNMT1-mediated maintenance DNA methylation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Q04
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BU of 6q04 by Molmil
MERS-CoV S structure in complex with 5-N-acetyl neuraminic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ...
Authors:Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-01
Release date:2019-12-11
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
6Q7U
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BU of 6q7u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ
Descriptor: 2-heptyl-1~{H}-quinolin-4-one, Transcriptional regulator MvfR
Authors:Witzgall, F, Xu, N, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6Q1F
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BU of 6q1f by Molmil
Atomic structure of the Human Herpesvirus 6B Capsid and Capsid-Associated Tegument Complexes
Descriptor: Large structural phosphoprotein, Major capsid protein, Small capsomere-interacting protein, ...
Authors:Zhang, Y.B, Liu, W, Li, Z.H, Kumar, V, Alvarez-Cabrera, A.L, Leibovitch, E, Cui, Y.X, Mei, Y, Bi, G.Q, Jacobson, S, Zhou, Z.H.
Deposit date:2019-08-03
Release date:2019-12-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Atomic structure of the human herpesvirus 6B capsid and capsid-associated tegument complexes.
Nat Commun, 10, 2019
6WLO
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BU of 6wlo by Molmil
hc16 ligase models, 11.0 Angstrom resolution
Descriptor: RNA (338-MER)
Authors:Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R.
Deposit date:2020-04-20
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6Q91
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BU of 6q91 by Molmil
Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2018-12-17
Release date:2019-01-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
To Be Published
7C0N
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BU of 7c0n by Molmil
Crystal structure of a self-assembling galactosylated peptide homodimer
Descriptor: SULFATE ION, Self-assembling galactosylated tyrosine-rich peptide, beta-D-galactopyranose
Authors:He, C, Wu, S, Chi, C, Zhang, W, Ma, M, Lai, L, Dong, S.
Deposit date:2020-05-01
Release date:2020-10-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Glycopeptide Self-Assembly Modulated by Glycan Stereochemistry through Glycan-Aromatic Interactions.
J.Am.Chem.Soc., 142, 2020
6PS8
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BU of 6ps8 by Molmil
XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin.
Descriptor: Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PVD
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BU of 6pvd by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-NV18.1
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-20
Release date:2020-04-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Ligand-dependent downregulation of MR1 cell surface expression.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BQW
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BU of 7bqw by Molmil
Crystal structure of Methionine gamma-lyase from Fusobacterium nucleatum
Descriptor: L-methionine gamma-lyase
Authors:Lan, J, Chen, Y, Liu, W, Xu, Y.
Deposit date:2020-03-25
Release date:2020-04-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Methionine gamma-lyase from Fusobacterium nucleatum
To Be Published
6WLM
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BU of 6wlm by Molmil
F. nucleatum glycine riboswitch with glycine models, 7.4 Angstrom resolution
Descriptor: RNA (171-MER)
Authors:Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R.
Deposit date:2020-04-20
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6PUS
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BU of 6pus by Molmil
Human TRPM2 bound to ADPR and calcium
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
6Q3W
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BU of 6q3w by Molmil
Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2018-12-04
Release date:2019-01-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
To Be Published
6WLR
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BU of 6wlr by Molmil
SAM-IV riboswitch with SAM models, 4.8 Angstrom resolution
Descriptor: RNA (119-MER)
Authors:Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R.
Deposit date:2020-04-20
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6Q06
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BU of 6q06 by Molmil
MERS-CoV S structure in complex with 2,3-sialyl-N-acetyl-lactosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ...
Authors:Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-01
Release date:2019-12-11
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
7BV5
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BU of 7bv5 by Molmil
Crystal structure of the yeast heterodimeric ADAT2/3
Descriptor: ZINC ION, tRNA-specific adenosine deaminase subunit TAD2, tRNA-specific adenosine deaminase subunit TAD3
Authors:Xie, W, Liu, X, Chen, R, Sun, Y, Chen, R, Zhou, J, Tian, Q.
Deposit date:2020-04-09
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the yeast heterodimeric ADAT2/3 deaminase.
Bmc Biol., 18, 2020
6QD6
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BU of 6qd6 by Molmil
Molecular scaffolds expand the nanobody toolkit for cryo-EM applications: crystal structure of Mb-cHopQ-Nb207
Descriptor: CHLORIDE ION, Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207
Authors:Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkonig, A, Zogg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J.
Deposit date:2018-12-31
Release date:2019-12-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM
Nat.Methods, 18, 2021
6Q7W
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BU of 6q7w by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20
Descriptor: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6Q8P
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BU of 6q8p by Molmil
Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
Descriptor: Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
Authors:Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-15
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
6WLS
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BU of 6wls by Molmil
Tetrahymena ribozyme models, 6.8 Angstrom resolution
Descriptor: RNA (388-MER)
Authors:Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R.
Deposit date:2020-04-20
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
6QIS
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BU of 6qis by Molmil
Crystal structure of CAG repeats with synthetic CMBL3a compound (model II)
Descriptor: CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3'), SULFATE ION
Authors:Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K.
Deposit date:2019-01-21
Release date:2019-09-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019
6PUR
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BU of 6pur by Molmil
Human TRPM2 bound to ADPR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
6Q05
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BU of 6q05 by Molmil
MERS-CoV S structure in complex with sialyl-lewisX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ...
Authors:Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-01
Release date:2019-12-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019

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