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PDB: 53266 件
6P0N
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BU of 6p0n by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
分子名称: 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ...
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P0Z
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Crystal structure of N-acetylated KRAS (2-169) bound to GDP and Mg
分子名称: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, GTPase KRas, ...
著者Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K.
登録日2019-05-17
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.011 Å)
主引用文献Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
8PPO
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BU of 8ppo by Molmil
First Intermediate Amyloid (FIA) - Tau
分子名称: Microtubule-associated protein tau
著者Lovestam, S, Scheres, S.H.W, Goedert, M, Li, D.
登録日2023-07-07
公開日2023-08-02
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
8FMY
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BU of 8fmy by Molmil
Mojiang virus F ectodomain in prefusion form
分子名称: Fusion glycoprotein F0
著者Low, Y.S, Isaacs, A, Modhiran, N, Watterson, D.
登録日2022-12-26
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structure and antigenicity of divergent Henipavirus fusion glycoproteins.
Nat Commun, 14, 2023
6UVV
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BU of 6uvv by Molmil
BACE-1 in complex with compound #17
分子名称: (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ...
著者Hendle, J, Timm, D.E.
登録日2019-11-04
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
6UXZ
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BU of 6uxz by Molmil
(S)-4-Amino-5-phenoxypentanoate as a Selective Agonist of the Transcription Factor GabR
分子名称: (4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid, HTH-type transcriptional regulatory protein GabR, SULFATE ION
著者Catlin, D.S, Liu, D.
登録日2019-11-09
公開日2020-10-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献(S)-4-Amino-5-phenoxypentanoate designed as a potential selective agonist of the bacterial transcription factor GabR.
Protein Sci., 29, 2020
6Y0Q
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BU of 6y0q by Molmil
Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe, AKG and methylated DNA under anaerobic environment using FT-SSX methods
分子名称: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ...
著者Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J.
登録日2020-02-10
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
8SVR
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BU of 8svr by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326
分子名称: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVS
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BU of 8svs by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328
分子名称: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVX
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BU of 8svx by Molmil
Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ...
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
7PZT
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BU of 7pzt by Molmil
Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase
著者Dix, S.R, Aziz, A.A, Baker, P.J, Evans, C.A, Dickman, M.J, Farthing, R.J, King, Z.L.S, Nathan, S, Partridge, L.J, Raih, F.M, Sedelnikova, S.E, Thomas, M.S, Rice, D.W.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The structure of A. faecalis TecA provides insights into its role as an asparagine deamidase toxin which targets RhoA
To Be Published
7ODC
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BU of 7odc by Molmil
CRYSTAL STRUCTURE ORNITHINE DECARBOXYLASE FROM MOUSE, TRUNCATED 37 RESIDUES FROM THE C-TERMINUS, TO 1.6 ANGSTROM RESOLUTION
分子名称: PROTEIN (ORNITHINE DECARBOXYLASE), PYRIDOXAL-5'-PHOSPHATE
著者Kern, A.D, Oliveira, M.A, Coffino, P, Hackert, M.L.
登録日1999-03-03
公開日1999-10-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of mammalian ornithine decarboxylase at 1.6 A resolution: stereochemical implications of PLP-dependent amino acid decarboxylases.
Structure Fold.Des., 7, 1999
8FG2
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BU of 8fg2 by Molmil
SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients
分子名称: Nucleoprotein
著者Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F.
登録日2022-12-12
公開日2023-01-11
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
8SVQ
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BU of 8svq by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312
分子名称: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8Q7F
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BU of 8q7f by Molmil
Tau - AD-MIA5
分子名称: Isoform Tau-D of Microtubule-associated protein tau
著者Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
登録日2023-08-16
公開日2023-08-30
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
8SVP
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BU of 8svp by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-278
分子名称: (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
6Y6B
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BU of 6y6b by Molmil
Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and 16-OMe-Fusicoccin H
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol, 14-3-3 protein gamma, Calcium/calmodulin-dependent protein kinase kinase 2
著者Lentini Santo, D, Obsilova, V, Obsil, T.
登録日2020-02-26
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins.
Acs Chem.Biol., 15, 2020
5IBL
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BU of 5ibl by Molmil
Human antibody 6639 in complex with influenza hemagglutinin H1 X-181
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6639 Heavy Chain, 6639 Light Chain, ...
著者Raymond, D.D, Harrison, S.C.
登録日2016-02-22
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Influenza immunization elicits antibodies specific for an egg-adapted vaccine strain.
Nat. Med., 22, 2016
8SVN
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BU of 8svn by Molmil
Crystal structure of the apo form of pregnane X receptor ligand binding domain
分子名称: Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVO
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BU of 8svo by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310
分子名称: (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8PN6
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BU of 8pn6 by Molmil
Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
分子名称: Genome polyprotein, Serine protease subunit NS2B
著者Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-06-29
公開日2023-08-16
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
To Be Published
8SVU
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BU of 8svu by Molmil
Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form
分子名称: GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVT
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BU of 8svt by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ...
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
6Y8S
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BU of 6y8s by Molmil
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate gamma-butyrobetaine
分子名称: 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
著者Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
登録日2020-03-05
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.629 Å)
主引用文献Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
7Z58
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Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin
分子名称: 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2022-03-08
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023

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件を2024-09-04に公開中

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