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6VCH
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BU of 6vch by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase in complex with 3-hydroxy-beta-apo-14'-carotenal
分子名称: (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal, CHLORIDE ION, COBALT (II) ION, ...
著者Daruwalla, A, Shi, W, Kiser, P.D.
登録日2019-12-20
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
5ZLF
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BU of 5zlf by Molmil
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ligand BPH-629
分子名称: MAGNESIUM ION, Octaprenyl diphosphate synthase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
著者Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
登録日2018-03-27
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.845 Å)
主引用文献Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
6ACW
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BU of 6acw by Molmil
The structure of CVA10 virus procapsid particle
分子名称: VP0, VP1, VP3
著者Zhu, R, Xu, L.F, Zheng, Q.B, Cui, Y.X, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T.
登録日2018-07-27
公開日2018-11-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10.
Sci Adv, 4, 2018
6VCF
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BU of 6vcf by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form
分子名称: BICARBONATE ION, CHLORIDE ION, FE (II) ION, ...
著者Daruwalla, A, Shi, W, Kiser, P.D.
登録日2019-12-20
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.687 Å)
主引用文献Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VHS
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BU of 6vhs by Molmil
Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317
分子名称: (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION
著者Sacco, M.D, Chen, Y.
登録日2020-01-10
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.
J.Med.Chem., 63, 2020
7EAM
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BU of 7eam by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6
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, Spike protein S1, ...
著者Li, T.T, Gu, Y, Li, S.W.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
1EER
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BU of 1eer by Molmil
CRYSTAL STRUCTURE OF HUMAN ERYTHROPOIETIN COMPLEXED TO ITS RECEPTOR AT 1.9 ANGSTROMS
分子名称: ERYTHROPOIETIN, ERYTHROPOIETIN RECEPTOR
著者Syed, R.S, Li, C.
登録日1998-07-24
公開日1999-10-01
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
7KW1
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BU of 7kw1 by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KVX
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BU of 7kvx by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
8CWW
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BU of 8cww by Molmil
Structure of S. cerevisiae Hop1 CBR bound to a nucleosome
分子名称: Histone H2A, Histone H2B, Histone H3, ...
著者Gu, Y, Ur, S.N, Milano, C.R, Tromer, E.C, Vale-Silva, L.A, Hochwagen, A, Corbett, K.D.
登録日2022-05-19
公開日2023-06-07
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Chromatin binding by HORMAD proteins regulates meiotic recombination initiation.
Embo J., 43, 2024
8CZE
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BU of 8cze by Molmil
Structure of a Xenopus Nucleosome with Widom 601 DNA
分子名称: Histone H2A, Histone H2B, Histone H3, ...
著者Gu, Y, Ur, S.N, Milano, C.R, Tromer, E.C, Vale-Silva, L.A, Hochwagen, A, Corbett, K.D.
登録日2022-05-24
公開日2023-06-07
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Chromatin binding by HORMAD proteins regulates meiotic recombination initiation.
Embo J., 43, 2024
3FH7
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BU of 3fh7 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate.
分子名称: 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate, ACETATE ION, GLYCEROL, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-08
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
7KVZ
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BU of 7kvz by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2
分子名称: (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.J.
登録日2020-11-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
3FH5
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BU of 3fh5 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
分子名称: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-08
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH8
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BU of 3fh8 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.
分子名称: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-09
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FHE
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BU of 3fhe by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine.
分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-09
公開日2010-01-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FUL
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BU of 3ful by Molmil
Leukotriene A4 hydrolase in complex with pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, YTTERBIUM (III) ION, ...
著者Davies, D.R.
登録日2009-01-14
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
6WQL
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BU of 6wql by Molmil
Solution structure of the seed peptide C2 (VBP-1) from pumpkin
分子名称: Seed peptide C2 (VBP-1)
著者Payne, C.P, Rosengren, K.J.
登録日2020-04-29
公開日2020-10-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Defining the Familial Fold of the Vicilin-Buried Peptide Family.
J.Nat.Prod., 83, 2020
7YDQ
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BU of 7ydq by Molmil
Structure of PfNT1(Y190A)-GFP in complex with GSK4
分子名称: 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein
著者Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D.
登録日2022-07-04
公開日2023-04-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
6WQJ
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BU of 6wqj by Molmil
Solution structure of vicilin-buried peptide-10 from cucumber
分子名称: Vicilin-buried peptide-10
著者Payne, C.D, Rosengren, K.J.
登録日2020-04-29
公開日2020-10-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Defining the Familial Fold of the Vicilin-Buried Peptide Family.
J.Nat.Prod., 83, 2020
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
分子名称: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
著者Zhou, X.
登録日2022-07-01
公開日2023-05-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
8DZP
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BU of 8dzp by Molmil
momSalB bound Kappa Opioid Receptor in complex with Gi1
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Fay, J.F, Che, T.
登録日2022-08-08
公開日2023-05-03
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
8DZQ
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BU of 8dzq by Molmil
momSalB bound Kappa Opioid Receptor in complex with GoA
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ...
著者Fay, J.F, Che, T.
登録日2022-08-08
公開日2023-05-03
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
8DZR
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BU of 8dzr by Molmil
GR89,696 bound Kappa Opioid Receptor in complex with gustducin
分子名称: G alpha gustducin protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Fay, J.F, Che, T.
登録日2022-08-08
公開日2023-05-03
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
8DZS
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BU of 8dzs by Molmil
GR89,696 bound Kappa Opioid Receptor in complex with Gz
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(z) subunit alpha, ...
著者Fay, J.F, Che, T.
登録日2022-08-08
公開日2023-05-03
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023

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