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7VV0
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BU of 7vv0 by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with PAMP-12, local
分子名称: CHOLESTEROL, Mas-related G-protein coupled receptor member X2, peptide from Pro-adrenomedullin
著者Li, Y, Yang, F.
登録日2021-11-04
公開日2021-12-01
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VV6
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BU of 7vv6 by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80 (local)
分子名称: 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Mas-related G-protein coupled receptor member X2
著者Li, Y, Yang, F.
登録日2021-11-04
公開日2021-12-01
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VUY
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BU of 7vuy by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with PAMP-12. state1
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Li, Y, Yang, F.
登録日2021-11-04
公開日2021-12-01
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VV3
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BU of 7vv3 by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with linear cortistatin-14
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Li, Y, Yang, F.
登録日2021-11-04
公開日2021-12-01
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7SEG
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BU of 7seg by Molmil
Crystal structure of the complex of CD16A bound by an anti-CD16A 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, GLYCEROL, ...
著者Kiefer, J.R, Wallweber, H.A, Polson, A.G.
登録日2021-09-30
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.156 Å)
主引用文献A BCMA/CD16A bispecific innate cell engager for the treatment of multiple myeloma.
Leukemia, 36, 2022
6XE4
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BU of 6xe4 by Molmil
BTK Fluorocyclopropyl amide inhibitor, Compound 25
分子名称: (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
著者Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C.
登録日2020-06-11
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity.
Acs Med.Chem.Lett., 11, 2020
5U1R
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BU of 5u1r by Molmil
Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
6PGO
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BU of 6pgo by Molmil
Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor
分子名称: 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2019-06-24
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
7S05
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BU of 7s05 by Molmil
Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex
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Li, H, Li, H.
登録日2021-08-30
公開日2022-03-30
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation.
Nat.Struct.Mol.Biol., 29, 2022
7S06
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BU of 7s06 by Molmil
Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex
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, N-acetylglucosamine-1-phosphotransferase subunits alpha/beta
著者Li, H, Li, H.
登録日2021-08-30
公開日2022-03-30
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation.
Nat.Struct.Mol.Biol., 29, 2022
5U17
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BU of 5u17 by Molmil
Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR
分子名称: 2,4-diaminopteridine-6-carbaldehyde, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U2V
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BU of 5u2v by Molmil
Structure of human MR1-HMB in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxy-5-methoxybenzaldehyde, Beta-2-microglobulin, GLYCEROL, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-12-01
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
分子名称: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5U16
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BU of 5u16 by Molmil
Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ...
著者Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
登録日2016-11-27
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5K4I
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BU of 5k4i by Molmil
Crystal Structure of ERK2 in complex with compound 22
分子名称: 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5U6Q
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BU of 5u6q by Molmil
Structure of human MR1-3-F-SA in complex with human MAIT A-F7 TCR
分子名称: 3-methanoyl-2-oxidanyl-benzoic acid, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-12-08
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
7L5B
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BU of 7l5b by Molmil
Crystallographic structure of neutralizing antibody 2-15 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD).
分子名称: 2-15 Heavy chain, 2-15 Light Chain, Spike protein S1
著者Reddem, E.R, Shapiro, L.
登録日2020-12-21
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 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
5ZAT
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BU of 5zat by Molmil
Crystal structure of 5-carboxylcytosine containing decamer dsDNA
分子名称: DNA (5'-D(*CP*CP*AP*GP*(CAC)P*GP*CP*TP*GP*G)-3')
著者Fu, T.R, Zhang, L.
登録日2018-02-08
公開日2019-02-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
8HP3
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BU of 8hp3 by Molmil
Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis
分子名称: 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tan, Y, Song, W.
登録日2022-12-11
公開日2023-12-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
8HP0
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BU of 8hp0 by Molmil
Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION
著者Tan, Y, Song, W.
登録日2022-12-11
公開日2023-12-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
5AGS
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BU of 5ags by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
8HPE
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BU of 8hpe by Molmil
Crystal structure of Leucine dehydrogenase
分子名称: GLYCEROL, Leucine dehydrogenase, SULFATE ION
著者Li, X, Song, W.
登録日2022-12-12
公開日2024-03-20
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
8HR6
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BU of 8hr6 by Molmil
leucine DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ from Bacillus thuringiensis
分子名称: Leucine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Li, X, Song, W.
登録日2022-12-14
公開日2024-03-20
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023

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