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9D3F
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BU of 9d3f by Molmil
Water and chloride as allosteric inhibitors in WNK kinase osmosensing
分子名称: Serine/threonine-protein kinase WNK1
著者Akella, R, Goldsmith, E.J.
登録日2024-08-09
公開日2024-12-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Water and chloride as allosteric inhibitors in WNK kinase osmosensing.
Elife, 12, 2024
9D7Q
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BU of 9d7q by Molmil
Water and chloride as allosteric inhibitors in WNK kinase osmosensing
分子名称: Serine/threonine-protein kinase WNK3
著者Akella, R, Goldsmith, E.J.
登録日2024-08-16
公開日2024-12-11
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献Water and chloride as allosteric inhibitors in WNK kinase osmosensing.
Elife, 12, 2024
9ILT
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BU of 9ilt by Molmil
Crystal structure of alternative complex III from Chloroflexus aurantiacus
分子名称: ActG, Cytochrome c domain-containing protein, Cytochrome c7-like domain-containing protein, ...
著者Xu, X, Wu, W.
登録日2024-07-01
公開日2025-03-19
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of the alternative complex III from the phototrophic bacterium Chloroflexus aurantiacus.
Structure, 33, 2025
9JH5
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BU of 9jh5 by Molmil
Activation mechanism of CYSLTR2 by C16:0 ceramide
分子名称: CHOLESTEROL, Cysteinyl leukotriene receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
登録日2024-09-09
公開日2025-04-23
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Sensing ceramides by CYSLTR2 and P2RY6 to aggravate atherosclerosis.
Nature, 641, 2025
6YBQ
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BU of 6ybq by Molmil
Engineered glycolyl-CoA carboxylase (quintuple mutant) with bound CoA
分子名称: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ...
著者Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J.
登録日2020-03-17
公開日2020-10-28
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (1.96 Å)
主引用文献A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation
Nat Catal, 2021
7TWD
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BU of 7twd by Molmil
Structure of AAGAB C-terminal dimerization domain
分子名称: Alpha- and gamma-adaptin-binding protein p34, PHOSPHATE ION
著者Tian, Y, Yin, Q.
登録日2022-02-07
公開日2023-01-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Oligomer-to-monomer transition underlies the chaperone function of AAGAB in AP1/AP2 assembly.
Proc.Natl.Acad.Sci.USA, 120, 2023
7T6E
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BU of 7t6e by Molmil
Cryo-EM of NBD-ffsy filaments (class 1)
分子名称: NBD-ffsy peptide
著者Wang, F, Guo, J, Xu, B, Egelman, E.H.
登録日2021-12-13
公開日2023-01-25
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
6YBP
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BU of 6ybp by Molmil
Propionyl-CoA carboxylase of Methylorubrum extorquens with bound CoA
分子名称: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ...
著者Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J.
登録日2020-03-17
公開日2020-10-28
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation
Nat Catal, 2021
7VSQ
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BU of 7vsq by Molmil
Crystal strcuture of the tandem B-Box domains of CONSTANS
分子名称: ZINC ION, Zinc finger protein CONSTANS
著者Liu, R, Lv, X, Du, J.
登録日2021-10-27
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
7VSP
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BU of 7vsp by Molmil
Crystal strcuture of the tandem B-Box domains of COL2
分子名称: ZINC ION, Zinc finger protein CONSTANS-LIKE 2
著者Lv, X, Liu, R, Du, J.
登録日2021-10-27
公開日2022-03-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
8DST
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BU of 8dst by Molmil
Cryo-EM of NBD-ffsy filaments (class 2)
分子名称: NBD-ffsy peptide
著者Wang, F, Guo, J, Xu, B, Egelman, E.H.
登録日2022-07-22
公開日2023-05-31
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
8EDH
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BU of 8edh by Molmil
Identification of a class of WNK isoform-specific inhibitors through high-throughput screening
分子名称: Serine/threonine-protein kinase WNK3, ethyl 1-(5,7-dimethoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
著者Akella, R, Goldsmith, E.J.
登録日2022-09-04
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.111 Å)
主引用文献Identification of a Class of WNK Isoform-Specific Inhibitors Through High-Throughput Screening.
Drug Des Devel Ther, 17, 2023
8FOF
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BU of 8fof by Molmil
Cryo-EM of BP-ffsy filaments
分子名称: BP-ffsy
著者Wang, F, Guo, J, Egelman, E.H, Xu, B.
登録日2022-12-30
公開日2023-05-31
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
3HAB
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BU of 3hab by Molmil
The structure of DPP4 in complex with piperidine fused benzimidazole 25
分子名称: (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2009-05-01
公開日2009-07-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
5GPK
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BU of 5gpk by Molmil
Crystal structure of Ccp1 mutant
分子名称: Putative nucleosome assembly protein C36B7.08c
著者Yin, F, Gao, F, Chen, Y.
登録日2016-08-03
公開日2016-11-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
3HAC
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BU of 3hac by Molmil
The structure of DPP-4 in complex with piperidine fused imidazopyridine 34
分子名称: (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2009-05-01
公開日2009-07-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
8RIO
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BU of 8rio by Molmil
Beta-keto acid cleavage enzyme from Paracoccus denitrificans
分子名称: 3-keto-5-aminohexanoate cleavage protein, PROLINE, ZINC ION
著者Marchal, D.G, Zarzycki, J, Erb, T.J.
登録日2023-12-19
公開日2025-01-01
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Design and implementation of aerobic and ambient CO 2 -reduction as an entry-point for enhanced carbon fixation.
Nat Commun, 16, 2025
8RIP
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BU of 8rip by Molmil
Beta-keto acid cleavage enzyme from Paracoccus denitrificans with bound malonate and Coenzyme A
分子名称: 3-keto-5-aminohexanoate cleavage protein, COENZYME A, MALONATE ION, ...
著者Marchal, D.G, Zarzycki, J, Erb, T.J.
登録日2023-12-19
公開日2025-01-01
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Design and implementation of aerobic and ambient CO 2 -reduction as an entry-point for enhanced carbon fixation.
Nat Commun, 16, 2025
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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BU of 8h6p by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
分子名称: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8J45
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BU of 8j45 by Molmil
Crystal structure of a Pichia pastoris-expressed IsPETase variant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase
著者Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-04-19
公開日2024-01-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris
Chem Eng J, 2023
7MLM
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BU of 7mlm by Molmil
Crystal structure of mouse TLR4/MD-2 in complex with sulfatides
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Su, L, Beutler, B.
登録日2021-04-28
公開日2021-07-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Sulfatides are endogenous ligands for the TLR4-MD-2 complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
4M8M
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BU of 4m8m by Molmil
Crystal structure of the active dimer of zebrafish PlexinC1 cytoplasmic region
分子名称: GCN4 coiled-coil fused zebrafish PlexinC1
著者Wang, Y, Pascoe, H.G, Zhang, X.
登録日2013-08-13
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.307 Å)
主引用文献Structural basis for activation and non-canonical catalysis of the Rap GTPase activating protein domain of plexin.
Elife, 2, 2013
2P8S
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BU of 2p8s by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor
分子名称: (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T.
登録日2007-03-23
公開日2007-05-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin
Bioorg.Med.Chem.Lett., 17, 2007

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件を2025-07-09に公開中

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