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7VH8
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BU of 7vh8 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Zhao, Y, Zhang, Q, Yang, H, Rao, Z.
登録日2021-09-21
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332.
Protein Cell, 13, 2022
2Z8O
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BU of 2z8o by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
分子名称: 27.5 kDa virulence protein, L(+)-TARTARIC ACID
著者Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
登録日2007-09-07
公開日2007-12-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
2Z8N
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BU of 2z8n by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
分子名称: 27.5 kDa virulence protein, SULFATE ION
著者Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
登録日2007-09-07
公開日2007-12-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
6VCH
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BU of 6vch by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase in complex with 3-hydroxy-beta-apo-14'-carotenal
分子名称: (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal, CHLORIDE ION, COBALT (II) ION, ...
著者Daruwalla, A, Shi, W, Kiser, P.D.
登録日2019-12-20
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
2Z8M
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BU of 2z8m by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
分子名称: 27.5 kDa virulence protein
著者Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
登録日2007-09-07
公開日2007-12-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
6VCF
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BU of 6vcf by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form
分子名称: BICARBONATE ION, CHLORIDE ION, FE (II) ION, ...
著者Daruwalla, A, Shi, W, Kiser, P.D.
登録日2019-12-20
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.687 Å)
主引用文献Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VHS
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BU of 6vhs by Molmil
Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317
分子名称: (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION
著者Sacco, M.D, Chen, Y.
登録日2020-01-10
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.
J.Med.Chem., 63, 2020
8ETN
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BU of 8etn by Molmil
The X-ray Crystal Structure of Tri-Ketone Dioxygenase from Rice
分子名称: Tri-Ketone Dioxygenase
著者Rydel, T.J, Duda, D, Zheng, M, Duff, S.M.G.
登録日2022-10-17
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Structural and functional characterization of triketone dioxygenase from Oryza Sativa.
Biochim Biophys Acta Gen Subj, 1868, 2023
6QNS
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BU of 6qns by Molmil
Crystal structure of the binding domain of Botulinum Neurotoxin type B mutant I1248W/V1249W in complex with human synaptotagmin 1 and GD1a receptors
分子名称: Botulinum neurotoxin type B, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Synaptotagmin-1
著者Masuyer, G, Yin, L, Zhang, S, Miyashita, S.I, Dong, M, Stenmark, P.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization of a membrane binding loop leads to engineering botulinum neurotoxin B with improved therapeutic efficacy.
Plos Biol., 18, 2020
2Z8P
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BU of 2z8p by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
分子名称: (GLY)(GLU)(ALA)(TPO)(VAL)(PTR)(ALA), 27.5 kDa virulence protein
著者Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
登録日2007-09-07
公開日2007-12-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
3ZXH
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BU of 3zxh by Molmil
MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
分子名称: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
著者Clark, K.L, Kulathila, R.
登録日2011-08-10
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
2Z3C
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BU of 2z3c by Molmil
A Mechanistic view of Enzyme Inhibition and Peptide Hydrolysis in the Active Site of the SARS-CoV 3C-Like peptidase
分子名称: GLYCEROL, Replicase polyprotein 1ab (pp1ab), inhibitor
著者Yin, J.
登録日2007-06-04
公開日2007-07-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the SARS-CoV 3C-like peptidase
J.Mol.Biol., 371, 2007
2Z3D
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BU of 2z3d by Molmil
A Mechanistic view of Enzyme Inhibition and Peptide Hydrolysis in the Active Site of the SARS-CoV 3C-Like peptidase
分子名称: GLYCEROL, Inhibitor, Replicase polyprotein 1ab (pp1ab)
著者Yin, J.
登録日2007-06-04
公開日2007-07-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the SARS-CoV 3C-like peptidase
J.Mol.Biol., 371, 2007
2Z3E
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BU of 2z3e by Molmil
A Mechanistic view of Enzyme Inhibition and Peptide Hydrolysis in the Active Site of the SARS-CoV 3C-Like peptidase
分子名称: ACE VAL Z3E LEU KCQ peptide, GLYCEROL, Replicase polyprotein 1ab (pp1ab)
著者Yin, J.
登録日2007-06-04
公開日2007-07-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the SARS-CoV 3C-like peptidase
J.Mol.Biol., 371, 2007
7ML7
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BU of 7ml7 by Molmil
Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection
分子名称: Chondroitin sulfate proteoglycan 4, Toxin B, ZINC ION
著者Chen, P, Jin, R.
登録日2021-04-27
公開日2021-06-09
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection.
Nat Commun, 12, 2021
4XV3
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BU of 4xv3 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX7922
分子名称: N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf
著者Zhang, Y, Zhang, C.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4XV9
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BU of 4xv9 by Molmil
B-Raf Kinase domain in complex with PLX5568
分子名称: N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf
著者zhang, Y, zhang, c, wang, w.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
7MLH
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BU of 7mlh by Molmil
Crystal structure of human IgE (2F10) in complex with Der p 2.0103
分子名称: CHLORIDE ION, Der p 2 variant 3, IgE Heavy chain, ...
著者Khatri, K, Kapingidza, A.B, Richardson, C.M, Vailes, L.D, Wunschmann, S, Dolamore, C, Chapman, M.D, Smith, S.A, Pomes, A, Chruszcz, M.
登録日2021-04-28
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human IgE monoclonal antibody recognition of mite allergen Der p 2 defines structural basis of an epitope for IgE cross-linking and anaphylaxis in vivo.
Pnas Nexus, 1, 2022
4XV1
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BU of 4xv1 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX7904
分子名称: N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf
著者Zhang, Y, Zhang, C.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
6FWB
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BU of 6fwb by Molmil
Crystal structure of Mat2A at 1.79 Angstron resolution
分子名称: GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ...
著者Zhou, A, Wei, Z, Bai, J, Wang, H.
登録日2018-03-06
公開日2019-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
7F5W
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BU of 7f5w by Molmil
Conserved and divergent strigolactone signaling in Saccharum spontaneum
分子名称: High tillering and dwarf 2 protein
著者Zhao, Q.Q, Ming, Z.H.
登録日2021-06-23
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.654 Å)
主引用文献Identification of Conserved and Divergent Strigolactone Receptors in Sugarcane Reveals a Key Residue Crucial for Plant Branching Control.
Front Plant Sci, 12, 2021
4XV2
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BU of 4xv2 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib
分子名称: Dabrafenib, Serine/threonine-protein kinase B-raf
著者zhang, Y, zhang, c.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
8IX3
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BU of 8ix3 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement)
分子名称: BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11
著者Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S.
登録日2023-03-31
公開日2023-11-15
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
6EAC
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BU of 6eac by Molmil
Pseudomonas syringae SelO
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A.
登録日2018-08-02
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.269 Å)
主引用文献Protein AMPylation by an Evolutionarily Conserved Pseudokinase.
Cell, 175, 2018
7MK2
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BU of 7mk2 by Molmil
CryoEM Structure of NPR1
分子名称: Regulatory protein NPR1, ZINC ION
著者Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P.
登録日2021-04-21
公開日2022-03-16
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022

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