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6XQA
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BU of 6xqa by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus
分子名称: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
著者Nguyen, A.T, Szeto, C, Gras, S.
登録日2020-07-09
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
6XFR
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BU of 6xfr by Molmil
Metallo-beta-lactamase from Pontibacter korlensis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactamase_B domain-containing protein, SODIUM ION, ...
著者Schenk, G, Schembri, M.A, Prombhul, S.
登録日2020-06-16
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.608 Å)
主引用文献Metallo-beta-lactamase from Pontibacter korlensis
To Be Published
7N6M
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BU of 7n6m by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RQKPLLGLSR
分子名称: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
著者Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
登録日2021-06-08
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XM2
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BU of 6xm2 by Molmil
The structure of the 4A11.v7 antibody in complex with human TGFb2
分子名称: 4A11.v7 heavy chain Fab (VH-CH1) IgG1 humanized, 4A11.v7 kappa light chain Fab (VL-CL) humanized, Transforming growth factor beta-2
著者Lupardus, P.J, Yin, J.P.
登録日2020-06-29
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献TGF beta 2 and TGF beta 3 isoforms drive fibrotic disease pathogenesis.
Sci Transl Med, 13, 2021
7NEA
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BU of 7nea by Molmil
Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum (M3 mutant).
分子名称: Branched-chain-amino-acid aminotransferase, CHLORIDE ION, GLYCEROL, ...
著者Boyko, K.M, Petrova, T, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Suplatov, D.A, Popov, V.O, Bezsudnova, E.Y.
登録日2021-02-03
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the role of the residues in the active site of the transaminase from Thermobaculum terrenum.
Plos One, 16, 2021
7NEB
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BU of 7neb by Molmil
Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum (M4 mutant)
分子名称: Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION
著者Boyko, K.M, Petrova, T, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Suplatov, D.A, Popov, V.O, Bezsudnova, E.Y.
登録日2021-02-03
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Probing the role of the residues in the active site of the transaminase from Thermobaculum terrenum.
Plos One, 16, 2021
6URC
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BU of 6urc by Molmil
Crystal structure of IRE1a in complex with compound 18
分子名称: 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Wallweber, H.H, Wang, W.
登録日2019-10-23
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6V90
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BU of 6v90 by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
分子名称: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
著者Gardberg, A.S.
登録日2019-12-12
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6YCE
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BU of 6yce by Molmil
Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ...
著者Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
登録日2020-03-18
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6YEN
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BU of 6yen by Molmil
Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133)
分子名称: (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, ...
著者Lang, P.A, Brem, J, Schofield, C.J.
登録日2020-03-25
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.418 Å)
主引用文献Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
6YHN
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BU of 6yhn by Molmil
Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis
分子名称: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Cytotoxic necrotizing factor, ...
著者Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
登録日2020-03-30
公開日2020-12-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
6Y1X
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BU of 6y1x by Molmil
X-ray structure of the radical SAM protein NifB, a key nitrogenase maturating enzyme
分子名称: CHLORIDE ION, IRON/SULFUR CLUSTER, Radical SAM domain protein, ...
著者Sosa-Fajardo, A, Legrand, P, Paya-Tormo, L, Martin, L, Pellicer-Martinez, M.T, Echavarri-Erasun, C, Vernede, X, Rubio, L.M, Nicolet, Y.
登録日2020-02-14
公開日2020-06-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into the Mechanism of the Radical SAM Carbide Synthase NifB, a Key Nitrogenase Cofactor Maturating Enzyme.
J.Am.Chem.Soc., 142, 2020
6V1D
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BU of 6v1d by Molmil
Crystal structure of human trefoil factor 1
分子名称: Trefoil factor 1
著者Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D.
登録日2019-11-20
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
6YCF
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BU of 6ycf by Molmil
Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ...
著者Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
登録日2020-03-18
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6V8K
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BU of 6v8k by Molmil
Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
分子名称: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Gardberg, A.S.
登録日2019-12-11
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V3P
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BU of 6v3p by Molmil
The BIgI domain of beta protein from S. agalactiae bound to CEACAM1
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, IgA FC receptor, ...
著者Bonsor, D.A, McCarthy, A.J.
登録日2019-11-26
公開日2020-12-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Bacterial protein domains with a novel Ig-like fold target human CEACAM receptors.
Embo J., 40, 2021
6YPH
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BU of 6yph by Molmil
Crystal Structure of CK2alpha with Compound 2 bound
分子名称: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6YPN
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BU of 6ypn by Molmil
Crystal Structure of CK2alpha with 2 molecules of ADP bound
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
分子名称: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
著者Gardberg, A.S, Wilson, J.E.
登録日2019-12-11
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V1C
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BU of 6v1c by Molmil
Crystal structure of human trefoil factor 3 in complex with its cognate ligand
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3
著者Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D.
登録日2019-11-20
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
6VEA
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BU of 6vea by Molmil
Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Glycine
分子名称: BETA-MERCAPTOETHANOL, GLYCINE, Glutamate receptor 3.2, ...
著者Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I.
登録日2019-12-30
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
6YPJ
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BU of 6ypj by Molmil
Crystal Structure of CK2alpha with Compound 1 bound
分子名称: 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6V8B
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BU of 6v8b by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 1
分子名称: 4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide, CHLORIDE ION, Histone acetyltransferase p300, ...
著者Gardberg, A.S.
登録日2019-12-10
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6Y0J
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BU of 6y0j by Molmil
Cytochrome c in complex with phosphonato-calix[6]arene and sulfonato-calix[8]arene
分子名称: Cytochrome c iso-1, HEME C, phosphonato-calix[6]arene, ...
著者Engilberge, S, Rennie, M.L, Crowley, P.B.
登録日2020-02-07
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Protein-macrocycle framework engineering: supramolecular copolymerisation with two disparate calixarenes
Supramolecular Chemistry, 2021
6YF3
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FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution
分子名称: (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ...
著者Kallen, J.
登録日2020-03-25
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021

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