Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
3UQG
DownloadVisualize
BU of 3uqg by Molmil
c-SRC kinase domain in complex with bumpless BKI analog UW1243
分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Merritt, E.A, Larson, E.T.
登録日2011-11-20
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5T
DownloadVisualize
BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
分子名称: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V51
DownloadVisualize
BU of 3v51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
分子名称: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-15
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5P
DownloadVisualize
BU of 3v5p by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
分子名称: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UPX
DownloadVisualize
BU of 3upx by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
分子名称: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
著者Merritt, E.A, Larson, E.T.
登録日2011-11-18
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
7VKA
DownloadVisualize
BU of 7vka by Molmil
Crystal Structure of GH3.6 in complex with an inhibitor
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, Indole-3-acetic acid-amido synthetase GH3.6, ...
著者Wang, N, Luo, M, Bao, H, Huang, H.
登録日2021-09-29
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Chemical genetic screening identifies nalacin as an inhibitor of GH3 amido synthetase for auxin conjugation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7FCD
DownloadVisualize
BU of 7fcd by Molmil
Structure of the SARS-CoV-2 A372T spike glycoprotein (open)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Wang, X, Zhang, S.
登録日2021-07-14
公開日2022-01-26
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
7FCE
DownloadVisualize
BU of 7fce by Molmil
Structure of the SARS-CoV-2 A372T spike glycoprotein (closed)
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, Spike glycoprotein
著者Wang, X, Zhang, S.
登録日2021-07-14
公開日2022-01-26
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
7EPQ
DownloadVisualize
BU of 7epq by Molmil
Crystal structure of exopolyphosphatase (PPX) from Porphyromonas gingivalis in complex with sulfate and magnesium ions
分子名称: MAGNESIUM ION, Putative exopolyphosphatase, SULFATE ION
著者Zhang, A.
登録日2021-04-27
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of exopolyphosphatase (PPX) from Porphyromonas gingivalis in complex with substrate analogs and magnesium ions reveals the basis for polyphosphate processivity.
J.Struct.Biol., 213, 2021
7Y9O
DownloadVisualize
BU of 7y9o by Molmil
Crystal structure of a CYP109B4 variant from Bacillus sonorensis
分子名称: CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ...
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-25
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7Y97
DownloadVisualize
BU of 7y97 by Molmil
Crystal structure of CYP109B4 from Bacillus Sonorensis
分子名称: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7Y98
DownloadVisualize
BU of 7y98 by Molmil
Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone
分子名称: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
6KYU
DownloadVisualize
BU of 6kyu by Molmil
Complex assembly, crystallization and preliminary X-ray crystallographic studies of duck MHC class I molecule
分子名称: Beta-2-microglobulin, MHC class I antigen, peptide
著者Liu, Z.X, Zhang, L, Zhang, N.Z.
登録日2019-09-20
公開日2020-09-23
最終更新日2020-12-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Complex assembly, crystallization and preliminary X-ray crystallographic analysis of the duck pAnpl-UAA
To Be Published
7Z0P
DownloadVisualize
BU of 7z0p by Molmil
SARS-COV2 Main Protease in complex with inhibitor MG-131
分子名称: (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION
著者El Kilani, H, Hilgenfeld, R.
登録日2022-02-23
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
7ENS
DownloadVisualize
BU of 7ens by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Indolmycin and ATP
分子名称: (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, M, Chen, S.
登録日2021-04-19
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7EL8
DownloadVisualize
BU of 7el8 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase
分子名称: Tryptophan--tRNA ligase
著者Xu, M, Chen, S.
登録日2021-04-09
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7ENT
DownloadVisualize
BU of 7ent by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-13 and ATP
分子名称: (5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, M, Chen, S.
登録日2021-04-19
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7FC3
DownloadVisualize
BU of 7fc3 by Molmil
structure of NL63 receptor-binding domain complexed with horse ACE2
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, Angiotensin-converting enzyme, ...
著者Wang, X.Q, Ge, J.W, Lan, J.
登録日2021-07-13
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
7EV3
DownloadVisualize
BU of 7ev3 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-10 and ATP
分子名称: (5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, M, Chen, S.
登録日2021-05-20
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7EV2
DownloadVisualize
BU of 7ev2 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-11 and ATP
分子名称: (5S)-5-[(1R)-1-(4-chloranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, M, Chen, S.
登録日2021-05-20
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7F45
DownloadVisualize
BU of 7f45 by Molmil
Structure of an Anti-CRISPR protein
分子名称: AcrIF5
著者Feng, Y.
登録日2021-06-17
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献AcrIF5 specifically targets DNA-bound CRISPR-Cas surveillance complex for inhibition.
Nat.Chem.Biol., 18, 2022
7FC5
DownloadVisualize
BU of 7fc5 by Molmil
Crystal structure of SARS-CoV-2 RBD and horse ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1
著者Wang, X.Q, Lan, J, Ge, J.W.
登録日2021-07-13
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
7Y8L
DownloadVisualize
BU of 7y8l by Molmil
Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
分子名称: 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
登録日2022-06-24
公開日2023-06-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
7FC6
DownloadVisualize
BU of 7fc6 by Molmil
Crystal structure of SARS-CoV RBD and horse ACE2
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, Angiotensin-converting enzyme, ...
著者Wang, X.Q, Lan, J, Ge, J.W.
登録日2021-07-13
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
1CF5
DownloadVisualize
BU of 1cf5 by Molmil
BETA-MOMORCHARIN STRUCTURE AT 2.55 A
分子名称: PROTEIN (BETA-MOMORCHARIN), beta-D-xylopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yuan, Y.-R, He, Y.-N, Xiong, J.-P, Xia, Z.-X.
登録日1999-03-24
公開日1999-06-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Three-dimensional structure of beta-momorcharin at 2.55 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999

222624

件を2024-07-17に公開中

PDB statisticsPDBj update infoContact PDBjnumon