Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4YTC
DownloadVisualize
BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
分子名称: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
6OLU
DownloadVisualize
BU of 6olu by Molmil
RIAM RA-PH core structure in the P212121 space group
分子名称: Amyloid beta A4 precursor protein-binding family B member 1-interacting protein
著者Wu, J.
登録日2019-04-17
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphorylation of RIAM by src promotes integrin activation by unmasking the PH domain of RIAM.
Structure, 29, 2021
6O6H
DownloadVisualize
BU of 6o6h by Molmil
RIAM cc-RA-PH structure in the P21212 space group
分子名称: Amyloid beta A4 precursor protein-binding family B member 1-interacting protein
著者Wu, J.
登録日2019-03-06
公開日2020-09-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phosphorylation of RIAM by Src Promotes Integrin Activation by Unmasking the PH Domain of RIAM.
Structure, 2020
4YTI
DownloadVisualize
BU of 4yti by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
分子名称: (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4C4V
DownloadVisualize
BU of 4c4v by Molmil
Structure of the outer membrane protein insertase BamA with one POTRA domain.
分子名称: OUTER MEMBRANE PROTEIN ASSEMBLY FACTOR BAMA
著者Zeth, K, Albrecht, R, Diederichs, K.
登録日2013-09-09
公開日2014-04-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Bama, an Essential Factor in Outer Membrane Protein Biogenesis
Acta Crystallogr.,Sect.D, 70, 2014
3GMD
DownloadVisualize
BU of 3gmd by Molmil
Structure-based design of 7-Azaindole-pyrrolidines as inhibitors of 11beta-Hydroxysteroid-Dehydrogenase type I
分子名称: 2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Valeur, E, Lepifre, F, Roche, D, Christmann-Franck, S, Hillertz, P, Musil, D.
登録日2009-03-13
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11 beta-hydroxysteroid dehydrogenase type I.
Bioorg.Med.Chem.Lett., 22, 2012
3FMA
DownloadVisualize
BU of 3fma by Molmil
Crystal structure of the GYF domain of Smy2 in complex with a proline-rich peptide from BBP/ScSF1
分子名称: Branchpoint-bridging protein, Protein SMY2
著者Ash, M.R, Faelber, K.
登録日2008-12-19
公開日2009-12-22
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SMY2-type GYF domain recognition in mRNA surveillance complexes
to be published
3JY9
DownloadVisualize
BU of 3jy9 by Molmil
Janus Kinase 2 Inhibitors
分子名称: (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one, SODIUM ION, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
登録日2009-09-21
公開日2009-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole.
J.Med.Chem., 52, 2009
6YG8
DownloadVisualize
BU of 6yg8 by Molmil
Cryo-EM structure of a BcsB pentamer in the context of an assembled Bcs macrocomplex
分子名称: Bacterial cellulose secretion regulator BcsB
著者Zouhir, S, Krasteva, P.V.
登録日2020-03-27
公開日2021-02-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
6YBB
DownloadVisualize
BU of 6ybb by Molmil
Crystal structure of a native BcsE (217-523) - BcsR-BcsQ (R156E mutant) complex with c-di-GMP and ATP bound
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsE, ...
著者Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V.
登録日2020-03-16
公開日2021-02-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
6YBU
DownloadVisualize
BU of 6ybu by Molmil
Crystal structure of a native BcsE (349-523) RQ complex with c-di-GMP and ATP bound
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsE, ...
著者Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V.
登録日2020-03-17
公開日2021-02-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
6QKL
DownloadVisualize
BU of 6qkl by Molmil
Mechanism of eIF6 release from the nascent 60S ribosomal subunit
分子名称: 26S RIBOSOMAL RNA, 60S acidic ribosomal protein P0, 60S ribosomal protein L10, ...
著者Kargas, V, Warren, A.J.
登録日2019-01-29
公開日2019-03-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanism of eIF6 release from the nascent 60S ribosomal subunit.
Nat.Struct.Mol.Biol., 22, 2015
6Z5T
DownloadVisualize
BU of 6z5t by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab, SODIUM ION
著者Zorzini, V, Rack, J, Ahel, I.
登録日2020-05-27
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
6Z6I
DownloadVisualize
BU of 6z6i by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-HPD
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ...
著者Zorzini, V, Rack, J, Ahel, I.
登録日2020-05-28
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
6BQK
DownloadVisualize
BU of 6bqk by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
分子名称: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, NS3 protease, ZINC ION
著者Klei, H.E, Sack, J.S.
登録日2017-11-28
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
6BQJ
DownloadVisualize
BU of 6bqj by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
分子名称: ACETATE ION, CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, ...
著者Klei, H.E, Sack, J.S.
登録日2017-11-28
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
6Z48
DownloadVisualize
BU of 6z48 by Molmil
Crystal structure of Thrombin in complex with macrocycle X1vE
分子名称: 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ...
著者Angelini, A, Habeshian, S, Heinis, C, Cendron, L.
登録日2020-05-23
公開日2022-06-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
6Z72
DownloadVisualize
BU of 6z72 by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-HPM
分子名称: 1,2-ETHANEDIOL, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, D-MALATE, ...
著者Zorzini, V, Rack, J, Ahel, I.
登録日2020-05-29
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
8P5P
DownloadVisualize
BU of 8p5p by Molmil
Structure of TECPR1 N-terminal DysF domain
分子名称: GLYCEROL, Tectonin beta-propeller repeat-containing protein 1
著者Boyle, K.B, Elliott, P.R, Randow, F.
登録日2023-05-24
公開日2023-07-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献TECPR1 conjugates LC3 to damaged endomembranes upon detection of sphingomyelin exposure.
Embo J., 42, 2023
8ONU
DownloadVisualize
BU of 8onu by Molmil
Solution structure of thanatin analogue 7 in complex with LptAm(Ab)1.0
分子名称: Lipopolysaccharide export system protein LptA, Thanatin-like derivative
著者Oi, K.K, Moehle, K, Zerbe, O.
登録日2023-04-04
公開日2023-06-14
最終更新日2023-11-29
実験手法SOLUTION NMR
主引用文献Early Molecular Insights into Thanatin Analogues Binding to A. baumannii LptA.
Molecules, 28, 2023
7ZKR
DownloadVisualize
BU of 7zkr by Molmil
Human GABARAP in complex with stapled peptide Pen3-ortho
分子名称: CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ...
著者Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H.
登録日2022-04-13
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
7ZL7
DownloadVisualize
BU of 7zl7 by Molmil
Human GABARAP in complex with stapled peptide Pen8-ortho
分子名称: CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ...
著者Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H.
登録日2022-04-14
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
6TJ0
DownloadVisualize
BU of 6tj0 by Molmil
Crystal structure of the bacterial cellulose secretion regulator BcsE, residues 217-523, with bound c-di-GMP.
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Bacterial cellulose synthesis subunit E, GLYCEROL
著者Zouhir, S, Abidi, W, Krasteva, P.V.
登録日2019-11-23
公開日2020-07-29
最終更新日2020-08-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Multitasking of the c-di-GMP-Sensing Cellulose Secretion Regulator BcsE.
Mbio, 11, 2020
7BK4
DownloadVisualize
BU of 7bk4 by Molmil
Crystal structure of RXRalpha ligand binding domain in complex with a fragment of the TIF2 coactivator
分子名称: 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者le Maire, A, Bourguet, W.
登録日2021-01-15
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
7QUI
DownloadVisualize
BU of 7qui by Molmil
Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue
分子名称: (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8
著者Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-01-18
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.352 Å)
主引用文献Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023

224201

件を2024-08-28に公開中

PDB statisticsPDBj update infoContact PDBjnumon