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PDB: 52974 件

6OYT
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ASK1 kinase domain in complex with GS-4997
分子名称: 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide, ACETATE ION, Mitogen-activated protein kinase kinase kinase 5
著者Marcotte, D.J.
登録日2019-05-15
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.824 Å)
主引用文献Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.
J.Med.Chem., 62, 2019
5K76
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IRAK4 in complex with Compound 28
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Ferguson, A.D.
登録日2016-05-25
公開日2017-12-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
6P1R
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BU of 6p1r by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming AMPNPP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, CHLORIDE ION, ...
著者Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
登録日2019-05-20
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
5K7I
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IRAK4 in complex with AZ3864
分子名称: (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Ferguson, A.D.
登録日2016-05-26
公開日2017-12-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
6PF9
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Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid.
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
2VH2
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Crystal structure of cell divison protein FtsQ from Yersinia enterecolitica
分子名称: CELL DIVISION PROTEIN FTSQ
著者van den Ent, F, Vinkenvleugel, T, Ind, A, West, P, Veprintsev, D, Nanninga, N, den Blaauwen, T, Lowe, J.
登録日2007-11-16
公開日2008-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural and Mutational Analysis of Cell Division Protein Ftsq
Mol.Microbiol., 68, 2008
6CLI
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1.01 A MicroED structure of GSNQNNF at 0.17 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.01 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
5CWW
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BU of 5cww by Molmil
Crystal structure of the Chaetomium thermophilum heterotrimeric Nup82 NTD-Nup159 TAIL-Nup145N APD complex
分子名称: Nucleoporin NUP145N, Nucleoporin NUP159, Nucleoporin NUP82
著者Stuwe, T, Bley, C.J, Thierbach, K, Petrovic, S, Schilbach, S, Mayo, D.J, Perriches, T, Rundlet, E.J, Jeon, Y.E, Collins, L.N, Lin, D.H, Paduch, M, Koide, A, Lu, V, Fischer, J, Hurt, E, Koide, S, Kossiakoff, A.A, Hoelz, A.
登録日2015-07-28
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
6CLR
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1.31 A MicroED structure of GSNQNNF at 3.1 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.31 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
8PRA
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BU of 8pra by Molmil
The structure of v13Bagel4
分子名称: Cell surface protein
著者Vandebroek, L, Voet, A.R.D, Lee, X.Y.
登録日2023-07-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structure of v13Bagel4
To Be Published
6PF8
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BU of 6pf8 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid
分子名称: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.533 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
5CXV
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Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ...
著者Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K.
登録日2015-07-29
公開日2016-03-09
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
8PRS
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BU of 8prs by Molmil
The structure of nvBagel4
分子名称: nvBagel4
著者Vandebroek, L, Voet, A.R.D, Lee, X.Y.
登録日2023-07-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structure of nvBagel4
To Be Published
6PGP
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BU of 6pgp by Molmil
Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
分子名称: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one, CALCIUM ION, GTPase KRas, ...
著者Mohr, C, Whittington, D.A.
登録日2019-06-24
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
4W5W
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BU of 4w5w by Molmil
Rubisco activase from Arabidopsis thaliana
分子名称: Ribulose bisphosphate carboxylase/oxygenase activase, chloroplastic, SULFATE ION
著者Hasse, D, Larsson, A.M, Andersson, I.
登録日2014-08-19
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of Arabidopsis thaliana Rubisco activase
Acta Crystallogr.,Sect.D, 71, 2015
4W60
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BU of 4w60 by Molmil
The structure of Vaccina virus H7 protein displays A Novel Phosphoinositide binding fold required for membrane biogenesis
分子名称: Late protein H7
著者Kolli, S, Meng, X, Wu, X, Shengjuler, D, Cameron, C.E, Xiang, Y, Deng, J.
登録日2014-08-19
公開日2014-12-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-function analysis of vaccinia virus h7 protein reveals a novel phosphoinositide binding fold essential for poxvirus replication.
J.Virol., 89, 2015
8IMZ
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BU of 8imz by Molmil
Cryo-EM structure of mouse Piezo1-MDFIC complex (composite map)
分子名称: MyoD family inhibitor domain-containing protein, Piezo-type mechanosensitive ion channel component 1
著者Zhou, Z, Ma, X, Lin, Y, Cheng, D, Bavi, N, Li, J.V, Sutton, D, Yao, M, Harvey, N, Corry, B, Zhang, Y, Cox, C.D.
登録日2023-03-07
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献MyoD-family inhibitor proteins act as auxiliary subunits of Piezo channels.
Science, 381, 2023
5VA6
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BU of 5va6 by Molmil
CRYSTAL STRUCTURE OF ATXR5 IN COMPLEX WITH HISTONE H3.1 MONO-METHYLATED ON R26
分子名称: Histone H3.1, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE
著者Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F.
登録日2017-03-24
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
5VAY
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BU of 5vay by Molmil
Bcl-2 complex with Beclin 1 T108D BH3 domain
分子名称: Apoptosis regulator Bcl-2 -- Bcl-2-like protein 1 Chimera, Beclin-1
著者Lee, E.F, Smith, B.J, Yao, S, Fairlie, W.D.
登録日2017-03-28
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Bcl-2 complex with Beclin 1 pT108 BH3 domain
To Be Published
4W6P
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BU of 4w6p by Molmil
Crystal Structure of Full-Length Split GFP Mutant D102C Disulfide Dimer, P 21 21 21 Space Group
分子名称: fluorescent protein D102C
著者Leibly, D.J, Waldo, G.S, Yeates, T.O.
登録日2014-08-20
公開日2015-02-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.085 Å)
主引用文献A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
5UMM
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BU of 5umm by Molmil
CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, PEPTIDE INHIBITOR M3
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2017-01-27
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design of ultrahigh-affinity and dual-specificity peptide antagonists of MDM2 and MDMX for p53 activation
To Be Published
6VZX
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BU of 6vzx by Molmil
Structure of a Covalently Captured Collagen Triple Helix using Lysine-Glutamate Pairs
分子名称: collagen mimetic peptide
著者Miller, M.D, Hulgan, S.A, Xu, W, Kosgei, A.J, Phillips Jr, G.N, Hartgerink, J.D.
登録日2020-02-28
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Covalent Capture of Collagen Triple Helices Using Lysine-Aspartate and Lysine-Glutamate Pairs.
Biomacromolecules, 21, 2020
2I3Q
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Q44V mutant of Homing Endonuclease I-CreI
分子名称: 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*AP*CP*TP*CP*AP*CP*GP*TP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*AP*CP*GP*TP*GP*AP*GP*TP*CP*AP*GP*TP*TP*TP*CP*G)-3', CALCIUM ION, ...
著者Rosen, L, Sussman, D.
登録日2006-08-20
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Homing endonuclease I-CreI derivatives with novel DNA target specificities.
Nucleic Acids Res., 34, 2006
5UOX
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Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
分子名称: 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5
著者Dougan, D.R.
登録日2017-02-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
6P7E
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Structure of T7 DNA Polymerase Bound to a Primer/Template DNA and a Peptide that Mimics the C-terminal Tail of the Primase-Helicase
分子名称: ASP-THR-ASP-PHE peptide, DNA (25-MER), DNA (5'-D(P*GP*GP*CP*AP*GP*GP*TP*GP*GP*TP*CP*TP*TP*GP*CP*CP*GP*GP*TP*GP*A)-3'), ...
著者Foster, B.M, Rosenberg, D, Salvo, H, Stephens, K.L, Bintz, B.J, Hammel, M, Ellenberger, T, Gainey, M.D, Wallen, J.R.
登録日2019-06-05
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Combined Solution and Crystal Methods Reveal the Electrostatic Tethers That Provide a Flexible Platform for Replication Activities in the Bacteriophage T7 Replisome.
Biochemistry, 58, 2019

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