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6V6P
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Crystal structure of CTX-M-14 E166A/D240G beta-lactamase
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
7KKJ
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Structure of anti-SARS-CoV-2 Spike nanobody mNb6
分子名称: CHLORIDE ION, SULFATE ION, Synthetic nanobody mNb6
著者Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium
登録日2020-10-27
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
4WRT
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Crystal structure of Influenza B polymerase with bound vRNA promoter (form FluB2)
分子名称: Influenza virus polymerase vRNA promoter 3' end, Influenza virus polymerase vRNA promoter 5' end, PA, ...
著者Reich, S, Guilligay, D, Pflug, A, Cusack, S.
登録日2014-10-25
公開日2014-11-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
6LQ0
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Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C6CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-12
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EHB
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OmpU, an outer membrane protein, of Vibrio cholerae
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein U
著者van den berg, B, Pathania, M.
登録日2017-09-13
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae.
Structure, 26, 2018
6LKM
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Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide
分子名称: 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
著者Miyahara, S, Chong, K.T, Suzuki, T.
登録日2019-12-19
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
8SDI
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Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM45 Coiled-Coil Domain
分子名称: Tripartite motif-containing protein 45
著者Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
登録日2023-04-06
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM45 Coiled-Coil Domain
To Be Published
8SDE
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Electrostatic-Mediated Tetramerization of the Coiled-Coil Domain in TRIM29
分子名称: GLYCEROL, Tripartite motif-containing protein 29
著者Lou, X.H, Zhuang, Y, Ma, B.B, Li, X.C.
登録日2023-04-06
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Electrostatic-Mediated Tetramerization of the Coiled-Coil Domain in TRIM29
To Be Published
8FHU
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Structure of Pyruvate dehydrogenase phosphatase regulatory subunit epitope presented by H2-Dd
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-D alpha chain, ...
著者Custodio, J.M.F, Baker, B.M.
登録日2022-12-15
公開日2023-06-28
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure of Pyruvate dehydrogenase phosphatase regulatory subunit neoepitope presented by H2-Dd
To Be Published
8FFY
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BU of 8ffy by Molmil
Cryo-electron microscopy structure of human mt-SerRS in complex with mt-tRNA(UGA-TL)
分子名称: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, Serine--tRNA ligase, mitochondrial, ...
著者Hirschi, M, Kuhle, B, Doerfel, L, Schimmel, P, Lander, G.
登録日2022-12-11
公開日2023-08-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for a degenerate tRNA identity code and the evolution of bimodal specificity in human mitochondrial tRNA recognition.
Nat Commun, 14, 2023
5L7X
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Afamin antibody fragment, N14 Fab, L1- glycosylated, crystal form II
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Mouse Antibody Fab Fragment, ...
著者Rupp, B, Naschberger, A.
登録日2016-06-04
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
分子名称: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M.
登録日2024-02-07
公開日2024-03-20
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 18, 2024
7L6M
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BU of 7l6m by Molmil
Cryo-EM structure of DH898.1 Fab-dimer from local refinement of the Fab-dimer bound near the CD4 binding site of HIV-1 Env CH848 SOSIP trimer
分子名称: DH898.1 Fab heavy chain, DH898.1 Fab light chain
著者Manne, K, Edwards, R.J, Acharya, P.
登録日2020-12-23
公開日2021-02-10
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7KS9
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BU of 7ks9 by Molmil
Cryo-EM structure of prefusion SARS-CoV-2 spike glycoprotein in complex with 910-30 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 910-30 Fab heavy chain, ...
著者Cerutti, G, Shapiro, L.
登録日2020-11-21
公開日2021-02-10
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (4.75 Å)
主引用文献Paired heavy- and light-chain signatures contribute to potent SARS-CoV-2 neutralization in public antibody responses.
Cell Rep, 37, 2021
8HXE
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BU of 8hxe by Molmil
Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-propylbenzyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Metallo-beta-lactamase L1 type 3, THIOCYANATE ION, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-04
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
7L3N
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BU of 7l3n by Molmil
SARS-CoV 2 Spike Protein bound to LY-CoV555
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV555 Fab heavy chain, ...
著者Goldsmith, J.A, McLellan, J.S.
登録日2020-12-18
公開日2021-02-03
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection.
Biorxiv, 2020
5KKE
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BU of 5kke by Molmil
Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with CYMAL5
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CHLORIDE ION, Cytochrome c iso-1, ...
著者Bowler, B.E, Whitby, F.G.
登録日2016-06-21
公開日2017-03-22
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons.
J. Am. Chem. Soc., 138, 2016
2RTD
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BU of 2rtd by Molmil
STREPTAVIDIN-BIOTIN COMPLEX, PH 1.39, SPACE GROUP I222
分子名称: BIOTIN, STREPTAVIDIN
著者Katz, B.A.
登録日1997-09-11
公開日1998-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
8FF7
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BU of 8ff7 by Molmil
Cytosolic ascorbate peroxidase mutant from Panicum virgatum- ascorbate complex
分子名称: ASCORBIC ACID, Cytosolic ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhang, B, Kang, C.
登録日2022-12-07
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Activity of Cytosolic Ascorbate Peroxidase (APX) from Panicum virgatum against Ascorbate and Phenylpropanoids.
Int J Mol Sci, 24, 2023
8HXI
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BU of 8hxi by Molmil
Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-isopropylbenzyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1 type 3, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-04
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8FF6
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BU of 8ff6 by Molmil
Cytosolic ascorbate peroxidase mutant from Panicum virgatum
分子名称: Cytosolic ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
著者Zhang, B, Kang, C.
登録日2022-12-07
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Activity of Cytosolic Ascorbate Peroxidase (APX) from Panicum virgatum against Ascorbate and Phenylpropanoids.
Int J Mol Sci, 24, 2023
8FNW
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BU of 8fnw by Molmil
Structure of RdrA-RdrB complex from Escherichia coli RADAR defense system
分子名称: Adenosine deaminase, Archaeal ATPase, ZINC ION
著者Duncan-Lowey, B, Johnson, A.G, Rawson, S, Mayer, M.L, Kranzusch, P.J.
登録日2022-12-28
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (6.73 Å)
主引用文献Cryo-EM structure of the RADAR supramolecular anti-phage defense complex.
Cell, 186, 2023
8FNT
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Structure of RdrA from Escherichia coli RADAR defense system
分子名称: Archaeal ATPase
著者Duncan-Lowey, B, Johnson, A.G, Rawson, S, Mayer, M.L, Kranzusch, P.J.
登録日2022-12-28
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Cryo-EM structure of the RADAR supramolecular anti-phage defense complex.
Cell, 186, 2023
1BGO
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR
分子名称: 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE, CATHEPSIN K
著者Desjarlais, R.L, Yamashita, D.S, Oh, H.-J, Bondinell, W.E, Uzinskas, I.N, Erhard, K.F, Allen, A.C, Haltiwanger, R.C, Zhao, B, Smith, W.W, Abdel-Meguid, S.S, D'Alessio, K, Janson, C.A, Mcqueney, M.S, Tomaszek, T.A, Levy, M.A, Veber, D.F.
登録日1998-05-29
公開日1999-06-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Use of X-Ray Co-Crystal Structures and Molecular Modeling to Design Potent and Selective Non-Peptide Inhibitors of Cathepsin K
J.Am.Chem.Soc., 120, 1998
7ZNJ
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Structure of an ALYREF-exon junction complex hexamer
分子名称: Eukaryotic initiation factor 4A-III, N-terminally processed, MAGNESIUM ION, ...
著者Pacheco-Fiallos, F.B, Vorlaender, M.K, Plaschka, C.
登録日2022-04-21
公開日2023-04-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献mRNA recognition and packaging by the human transcription-export complex.
Nature, 616, 2023

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