Loading
PDBj
メニューPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

7HEH
DownloadVisualize
BU of 7heh by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003675
分子名称: (2R)-3-(3-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, DIMETHYL SULFOXIDE, Non-structural protein 3, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
4H8J
DownloadVisualize
BU of 4h8j by Molmil
Structure of GluA2-LBD in complex with MES
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutamate receptor 2, ...
著者Reiter, A, Skerra, A, Trauner, D, Schiefner, A.
登録日2012-09-22
公開日2013-09-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of an artificial photoreceptor
To be Published
7HEP
DownloadVisualize
BU of 7hep by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003688
分子名称: CHLORIDE ION, Non-structural protein 3, trifluoroacetic acid, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
4A1O
DownloadVisualize
BU of 4a1o by Molmil
Crystal structure of Mycobacterium tuberculosis PurH complexed with AICAR and a novel nucleotide CFAIR, at 2.48 A resolution.
分子名称: 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, ...
著者Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N.
登録日2011-09-17
公開日2011-09-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
7HDL
DownloadVisualize
BU of 7hdl by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003731
分子名称: 2-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-2,3-dihydro-1H-inden-2-ol, Non-structural protein 3, trifluoroacetic acid
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDX
DownloadVisualize
BU of 7hdx by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003648
分子名称: (2S)-4,4-dimethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol, CHLORIDE ION, Non-structural protein 3, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDW
DownloadVisualize
BU of 7hdw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003646
分子名称: (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol, Non-structural protein 3, trifluoroacetic acid
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
6GSG
DownloadVisualize
BU of 6gsg by Molmil
Crystal structure of Aspergillus oryzae catechol oxidase complexed with resorcinol
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Catechol oxidase, ...
著者Penttinen, L, Hakulinen, N, Rouvinen, J.
登録日2018-06-14
公開日2018-09-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Unraveling Substrate Specificity and Catalytic Promiscuity of Aspergillus oryzae Catechol Oxidase.
Chembiochem, 19, 2018
7HEQ
DownloadVisualize
BU of 7heq by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003690
分子名称: (2R)-3-cyclohexyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD2
DownloadVisualize
BU of 7hd2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003705
分子名称: (2S)-3-(furan-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDN
DownloadVisualize
BU of 7hdn by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003734
分子名称: (2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butane-1,4-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCG
DownloadVisualize
BU of 7hcg by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000316
分子名称: 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDU
DownloadVisualize
BU of 7hdu by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003643
分子名称: (2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol, CHLORIDE ION, Non-structural protein 3, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HF5
DownloadVisualize
BU of 7hf5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003758
分子名称: 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol, CHLORIDE ION, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
2WC0
DownloadVisualize
BU of 2wc0 by Molmil
crystal structure of human insulin degrading enzyme in complex with iodinated insulin
分子名称: 1,4-DIETHYLENE DIOXIDE, INSULIN A CHAIN, INSULIN B CHAIN, ...
著者Manolopoulou, M, Guo, Q, Malito, E, Schilling, A.B, Tang, W.J.
登録日2009-03-06
公開日2009-03-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular Basis of Catalytic Chamber-Assisted Unfolding and Cleavage of Human Insulin by Human Insulin Degrading Enzyme.
J.Biol.Chem., 284, 2009
4REA
DownloadVisualize
BU of 4rea by Molmil
A Nuclease DNA complex
分子名称: DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), ...
著者Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y.
登録日2014-09-22
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.81 Å)
主引用文献Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
3FUP
DownloadVisualize
BU of 3fup by Molmil
Crystal structures of JAK1 and JAK2 inhibitor complexes
分子名称: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK2
著者Williams, N.K, Bamert, R.S, Patel, O, Fantino, E, Rossjohn, J, Lucet, I.S.
登録日2009-01-14
公開日2009-02-10
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
7HCT
DownloadVisualize
BU of 7hct by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000612
分子名称: (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
4RE5
DownloadVisualize
BU of 4re5 by Molmil
Acylaminoacyl peptidase complexed with a chloromethylketone inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Acylamino-acid-releasing enzyme, ...
著者Menyhard, D.K, Orgovan, Z, Szeltner, Z, Szamosi, I, Harmat, V.
登録日2014-09-22
公開日2015-01-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalytically distinct states captured in a crystal lattice: the substrate-bound and scavenger states of acylaminoacyl peptidase and their implications for functionality.
Acta Crystallogr.,Sect.D, 71, 2015
7HD1
DownloadVisualize
BU of 7hd1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003704
分子名称: Non-structural protein 3, [(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDE
DownloadVisualize
BU of 7hde by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003720
分子名称: Non-structural protein 3, [(2S,3aS,6aS)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydrocyclopenta[b]pyrrol-2-yl]methanol
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD9
DownloadVisualize
BU of 7hd9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003713
分子名称: Non-structural protein 3, [(1S,3S,4R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7WVT
DownloadVisualize
BU of 7wvt by Molmil
Crystal structure of Saccharomyces cerevisiae Sfh2 complexed with phosphatidylinositol
分子名称: (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Phosphatidylinositol transfer protein CSR1
著者Chen, L, Tan, L, Im, Y.J.
登録日2022-02-11
公開日2022-07-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily.
Acta Crystallogr D Struct Biol, 78, 2022
8S9G
DownloadVisualize
BU of 8s9g by Molmil
SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-03-28
公開日2023-10-04
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
7HF7
DownloadVisualize
BU of 7hf7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004063
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Non-structural protein 3, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025

245663

件を2025-12-03に公開中

PDB statisticsPDBj update infoContact PDBjnumon