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4B7U
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PLASMODIUM FALCIPARUM L-LACTATE DEHYDROGENASE COMPLEXED WITH BICINE
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, BICINE, ...
著者Birkinshaw, R.W, Brady, R.L.
登録日2012-08-22
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The Crystal Structure of Plasmodium Falciparum L- Lactate Dehydrogenase in Complex with a Novel Bicine Ligand
To be Published
4B08
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Yeast DNA polymerase alpha, Selenomethionine protein
分子名称: DNA POLYMERASE ALPHA CATALYTIC SUBUNIT A
著者Perera, R.L, Torella, R, Klinge, S, Kilkenny, M.L, Maman, J.D, Pellegrini, L.
登録日2012-06-29
公開日2013-02-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Mechanism for Priming DNA Synthesis by Yeast DNA Polymerase Alpha
Elife, 2, 2013
1IOL
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BU of 1iol by Molmil
ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED 17-BETA-ESTRADIOL
分子名称: ESTRADIOL, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE
著者Azzi, A, Rehse, P.H, Zhu, D.-W, Campbell, R.L, Labrie, F, Lin, S.-X.
登録日1996-06-20
公開日1997-07-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human estrogenic 17 beta-hydroxysteroid dehydrogenase complexed with 17 beta-estradiol.
Nat.Struct.Biol., 3, 1996
2AJL
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X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor
分子名称: 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4
著者Qiao, L, Baumann, C.A, Crysler, C.S, Ninan, N.S, Abad, M.C, Spurlino, J.C, DesJarlais, R.L, Kervinen, J, Neeper, M.P, Bayoumy, S.S.
登録日2005-08-02
公開日2005-11-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
8HVP
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STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR
分子名称: HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E)
著者Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A.
登録日1990-10-26
公開日1993-10-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor.
Biochemistry, 30, 1991
8OW2
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Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938
分子名称: 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
登録日2023-04-26
公開日2023-05-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
8OJS
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Crystal structure of the human IgD Fab - structure Fab1
分子名称: 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ...
著者Davies, A.M, Beavil, R.L, McDonnell, J.M.
登録日2023-03-24
公開日2023-06-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
8OJU
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Crystal structure of the human IgD Fab - structure Fab3
分子名称: 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ...
著者Davies, A.M, Beavil, R.L, McDonnell, J.M.
登録日2023-03-24
公開日2023-06-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
8OJV
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Crystal structure of the human IgD Fab - structure Fab4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Davies, A.M, Beavil, R.L, McDonnell, J.M.
登録日2023-03-24
公開日2023-06-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
8OJT
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Crystal structure of the human IgD Fab - structure Fab2
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, ...
著者Davies, A.M, Beavil, R.L, McDonnell, J.M.
登録日2023-03-24
公開日2023-06-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
9CE4
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Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6
分子名称: (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium, 1,2-ETHANEDIOL, Serine/threonine-protein kinase Chk1
著者Palte, R.L, Zebisch, M, Henry, C, Barker, J.J.
登録日2024-06-26
公開日2024-09-18
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Discovery and Optimization of N-Heteroaryl Indazole LRRK2 Inhibitors.
J.Med.Chem., 67, 2024
9B3S
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Crystal structure of casein kinase 1 delta 1 with tethered phosphorylated tail
分子名称: Casein kinase I isoform delta
著者Harold, R.L, Yaitanes, N, Tripathi, S.T, Partch, C.L.
登録日2024-03-20
公開日2024-09-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Isoform-specific C-terminal phosphorylation drives autoinhibition of Casein kinase 1.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VJ6
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GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 1
分子名称: 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, Isoform Flip of Glutamate receptor 2
著者Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C.
登録日2024-01-05
公開日2024-06-05
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 2024
8VJ7
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GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 2
分子名称: 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, GLUTAMIC ACID, Isoform Flip of Glutamate receptor 2
著者Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C.
登録日2024-01-05
公開日2024-06-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.85 Å)
主引用文献Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 2024
9BMK
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GH5_4 endo-beta(1,3/1,4)-glucanase E331A from Segatella copri in complex with cellotriose
分子名称: Cellulase (Glycosyl hydrolase family 5), SULFATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Cordeiro, R.L, Golisch, B, Brumer, H, Van Petegem, F.
登録日2024-05-02
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The molecular basis of cereal mixed-linkage beta-glucan utilization by the human gut bacterium Segatella copri.
J.Biol.Chem., 300, 2024
9C5D
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E. coli peptidyl-prolyl cis-trans isomerase containing (2S,3S)-4-Fluorovaline
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ...
著者Frkic, R.L, Jackson, C.J.
登録日2024-06-06
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献1.3 angstrom Crystal Structure of E. coli Peptidyl-Prolyl Isomerase B with Uniform Substitution of Valine by (2 S ,3 S )-4-Fluorovaline Reveals Structure Conservation and Multiple Staggered Rotamers of CH 2 F Groups.
Biochemistry, 2024
9BAM
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Surface glycan-binding protein A (SGBP-A, SusD-like) from a mixed-linkage beta-glucan utilization locus in Segatella copri
分子名称: MAGNESIUM ION, Surface glycan-binding protein A (SGBP-A)
著者Cordeiro, R.L, Golisch, B, Brumer, H, Van Petegem, F.
登録日2024-04-04
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The molecular basis of cereal mixed-linkage beta-glucan utilization by the human gut bacterium Segatella copri.
J.Biol.Chem., 300, 2024
9BJX
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GH5_4 endo-beta(1,3/1,4)-glucanase from Segatella copri
分子名称: 1,2-ETHANEDIOL, Cellulase (Glycosyl hydrolase family 5)
著者Cordeiro, R.L, Golisch, B, Brumer, H, Van Petegem, F.
登録日2024-04-25
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The molecular basis of cereal mixed-linkage beta-glucan utilization by the human gut bacterium Segatella copri.
J.Biol.Chem., 300, 2024
9BAL
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Surface glycan-binding protein A (SGBP-A, SusD-like) from a mixed-linkage beta-glucan utilization locus in Segatella copri in complex with cellopentaose
分子名称: MAGNESIUM ION, Surface glycan-binding protein A (SGBP-A), beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Cordeiro, R.L, Golisch, B, Brumer, H, Van Petegem, F.
登録日2024-04-04
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The molecular basis of cereal mixed-linkage beta-glucan utilization by the human gut bacterium Segatella copri.
J.Biol.Chem., 300, 2024
9CD5
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FGFR1 Kinase Domain Soak with Inhibitor TYRA-300
分子名称: (3P)-5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-3-{6-[6-(methanesulfonyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyridin-3-yl}-1H-indazole, 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, ...
著者Hoffman, I.H, Nelson, K.J, Rideout, M.C, Frye, C, Bensen, D.C, Hudkins, R.L.
登録日2024-06-24
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.939 Å)
主引用文献Discovery of TYRA-300: First Oral Selective FGFR3 Inhibitor for the Treatment of Urothelial Cancers and Achondroplasia.
J.Med.Chem., 67, 2024
9CD7
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FGFR3 Kinase Domain with Inhibitor TYRA-300
分子名称: (3P)-5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-3-{6-[6-(methanesulfonyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyridin-3-yl}-1H-indazole, Fibroblast growth factor receptor 3, GLYCEROL, ...
著者Hoffman, I.H, Nelson, K.J, Rideout, M.C, Nix, J.C, Frye, C, Bensen, D.C, Hudkins, R.L.
登録日2024-06-24
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of TYRA-300: First Oral Selective FGFR3 Inhibitor for the Treatment of Urothelial Cancers and Achondroplasia.
J.Med.Chem., 67, 2024
6GF0
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Lysozyme structure determined from SFX data using a Sheet-on-Sheet chipless chip
分子名称: Lysozyme C
著者Doak, R.B, Gorel, A, Foucar, L, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrel, D, Owen, R, Barends, T.R.M, Schlichting, I.
登録日2018-04-27
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
1TIH
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TRYPSIN INHIBITOR (T1) FROM NICOTIANA ALATA
分子名称: TRYPSIN INHIBITOR T1
著者Nielsen, K.J, Heath, R.L, Anderson, M.A, Craik, D.J.
登録日1995-08-03
公開日1995-10-15
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structures of a series of 6-kDa trypsin inhibitors isolated from the stigma of Nicotiana alata.
Biochemistry, 34, 1995
1W72
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Crystal structure of HLA-A1:MAGE-A1 in complex with Fab-Hyb3
分子名称: BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Hulsmeyer, M, Chames, P, Hillig, R.C, Stanfield, R.L, Held, G, Coulie, P.G, Alings, C, Wille, G, Saenger, W, Uchanska-Ziegler, B, Hoogenboom, H.R, Ziegler, A.
登録日2004-08-27
公開日2004-11-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Major Histocompatibility Complex.Peptide- Restricted Antibody and T Cell Receptor Molecules Recognize Their Target by Distinct Binding Modes: Crystal Structure of Human Leukocyte Antigen (Hla)-A1.Mage-A1 in Complex with Fab-Hyb3
J.Biol.Chem., 280, 2005
6YRD
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SFX structure of dye-type peroxidase DtpB in the ferryl state
分子名称: MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A.
登録日2020-04-20
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020

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