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8AR9
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Crystal to structure pipeline for ambient temperature, in situ crystallography at beamline VMXi
分子名称: Nuclear receptor coactivator 7
著者Campeotto, I, Foster, T.
登録日2022-08-15
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
8A9P
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BU of 8a9p by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
分子名称: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, BROMIDE ION, CHLORIDE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-06-29
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
To Be Published
8B0F
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BU of 8b0f by Molmil
CryoEM structure of C5b8-CD59
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, CALCIUM ION, ...
著者Bubeck, D, Couves, E.C, Gardner, S.
登録日2022-09-07
公開日2023-02-22
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
8V1J
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BU of 8v1j by Molmil
Structure of an allelic variant of Puccinia graminis f. sp. tritici (Pgt) effector AvrSr27 (AvrSr27-1)
分子名称: AvrSr27, ZINC ION
著者Outram, M.A, Williams, S.J, Ericsson, D.J.
登録日2023-11-20
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.41596365 Å)
主引用文献AvrSr27 is a zinc-bound effector with a modular structure important for immune recognition.
New Phytol., 243, 2024
8VJZ
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BU of 8vjz by Molmil
HLA-A*03:01 with WT KRAS-10mer
分子名称: Beta-2-microglobulin, GLYCEROL, GTPase KRas, ...
著者Sim, M.J.W, Sun, P.D.
登録日2024-01-08
公開日2024-12-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and structural characterization of a mutant KRAS-G12V specific TCR restricted by HLA-A3.
Eur.J.Immunol., 54, 2024
6BX8
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BU of 6bx8 by Molmil
Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C)
分子名称: SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3
著者Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S.
登録日2017-12-18
公開日2019-02-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J. Biol. Chem., 294, 2019
8W37
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Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity
分子名称: SULFATE ION, Transmembrane protein gp41
著者McAndrew, R.P, Ralston, C.Y, Gochin, M.
登録日2024-02-22
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.
J.Mol.Biol., 436, 2024
8W2Y
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BU of 8w2y by Molmil
Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity
分子名称: GLYCEROL, SULFATE ION, Transmembrane protein gp41
著者McAndrew, R.P, Ralston, C.Y, Gochin, M.
登録日2024-02-21
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.
J.Mol.Biol., 436, 2024
8W32
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BU of 8w32 by Molmil
Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity
分子名称: GLYCEROL, SULFATE ION, Transmembrane protein gp41
著者McAndrew, R.P, Ralston, C.Y, Gochin, M.
登録日2024-02-21
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.
J.Mol.Biol., 436, 2024
7R3U
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BU of 7r3u by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Leys, D, Levy, C.
登録日2022-02-07
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7S8W
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BU of 7s8w by Molmil
Amycolatopsis sp. T-1-60 N-succinylamino acid racemase/o-succinylbenzoate synthase R266Q mutant in complex with N-succinylphenylglycine
分子名称: MAGNESIUM ION, N-succinyl-L-phenylglycine, N-succinylamino acid racemase/O-succinylbenzoate synthase, ...
著者Truong, D.P, Rousseau, S, Sacchettini, J.C, Glasner, M.E.
登録日2021-09-20
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Second-Shell Amino Acid R266 Helps Determine N -Succinylamino Acid Racemase Reaction Specificity in Promiscuous N -Succinylamino Acid Racemase/ o -Succinylbenzoate Synthase Enzymes.
Biochemistry, 60, 2021
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
登録日2021-09-02
公開日2021-11-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7S1H
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BU of 7s1h by Molmil
Wild-type Escherichia coli ribosome with antibiotic linezolid
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
登録日2021-09-02
公開日2021-11-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
8QHN
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BU of 8qhn by Molmil
Streptococcus pyogenes GapN in complex with NADPH and erythrose-4-phosphate
分子名称: ERYTHOSE-4-PHOSPHATE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Wirsing, R, Schindelin, H.
登録日2023-09-08
公開日2025-06-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Streptococcus pyogenes GapN in complex with NADPH and erythrose-4-phosphate
To Be Published
8RRO
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BU of 8rro by Molmil
G12V-TCR complex with HLA-A3
分子名称: Beta-2-microglobulin, G12V-TCR alpha chain, G12V-TCR beta chain, ...
著者Sim, M.J.W, Sun, P.D.
登録日2024-01-23
公開日2024-11-20
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification and structural characterization of a mutant KRAS-G12V specific TCR restricted by HLA-A3.
Eur.J.Immunol., 54, 2024
8RIV
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BU of 8riv by Molmil
T2R-TTL-1-K08 complex
分子名称: (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P.
登録日2023-12-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8RIW
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T2R-TTL-1-L01 complex
分子名称: (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E.
登録日2023-12-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8ROP
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BU of 8rop by Molmil
Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Murdolo, L.D, Maddumage, J.C, Gras, S.
登録日2024-01-12
公開日2024-05-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
8ROO
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BU of 8roo by Molmil
Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, Influenza A derived peptide/Nucleoprotein, ...
著者Murdolo, L.D, Maddumage, J.C, Gras, S.
登録日2024-01-11
公開日2024-05-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
9EU3
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BU of 9eu3 by Molmil
GH29A alpha-L-fucosidase
分子名称: Alpha-L-fucosidase, CHLORIDE ION, ZINC ION, ...
著者Yang, Y.Y, Zeuner, B, Morth, J.P.
登録日2024-03-27
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural elucidation and characterization of GH29A alpha-l-fucosidases and the effect of pH on their transglycosylation.
Febs J., 292, 2025
6ZEX
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BU of 6zex by Molmil
Keap1 kelch domain bound to a small molecule fragment
分子名称: 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF5
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Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZEZ
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BU of 6zez by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, Kelch-like ECH-associated protein 1
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6Z2H
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BU of 6z2h by Molmil
Citryl-CoA lyase module of human ATP citrate lyase in complex with (3S)-citryl-CoA.
分子名称: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ATP-citrate synthase, ...
著者Verschueren, K.H.G, Verstraete, K.
登録日2020-05-15
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
9GBF
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X-RAY structure of PHDvC5HCH tandem domain of NSD2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone-lysine N-methyltransferase NSD2, ...
著者Musco, G, Cocomazzi, P, Berardi, A, Knapp, S, Kramer, A.
登録日2024-07-31
公開日2024-12-18
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The C-terminal PHDVC5HCH tandem domain of NSD2 is a combinatorial reader of unmodified H3K4 and tri-methylated H3K27 that regulates transcription of cell adhesion genes in multiple myeloma.
Nucleic Acids Res., 53, 2025

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件を2025-07-09に公開中

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