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3OLI
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BU of 3oli by Molmil
Structures of human pancreatic alpha-amylase in complex with acarviostatin IV03
分子名称: (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Qin, X, Ren, L.
登録日2010-08-26
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
6JD4
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BU of 6jd4 by Molmil
ATPase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ESX-1 secretion system protein EccCb1, MAGNESIUM ION
著者Wang, S.H, Li, J, Rao, Z.H.
登録日2019-01-31
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
分子名称: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro
著者Luqing, S, Yin, Z.
登録日2015-05-28
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
6LLW
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BU of 6llw by Molmil
Crystal Structure of Fagopyrum esculentum M UGT708C1 complexed with UDP
分子名称: UDP-glycosyltransferase 708C1, URIDINE-5'-DIPHOSPHATE
著者Wang, X, Liu, M.
登録日2019-12-23
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
8IKH
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BU of 8ikh by Molmil
Cryo-EM structure of human receptor with G proteins
分子名称: 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Shen, S.Y, Shao, Z.H.
登録日2023-02-28
公開日2024-06-05
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1.
Proc.Natl.Acad.Sci.USA, 121, 2024
8IKG
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BU of 8ikg by Molmil
Cryo-EM structure of human receptor with G proteins
分子名称: 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Shen, S.Y, Shao, Z.H.
登録日2023-02-28
公開日2024-06-05
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1.
Proc.Natl.Acad.Sci.USA, 121, 2024
4QQN
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BU of 4qqn by Molmil
Protein arginine methyltransferase 3 in complex with compound MTV044246
分子名称: 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ...
著者Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
8JCN
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BU of 8jcn by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 58
分子名称: 1-[3-(diphenoxyphosphorylamino)phenyl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Zhu, Y, Rao, Z.
登録日2023-05-11
公開日2024-05-15
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献De novo design of SARS-CoV-2 main protease inhibitors with characteristic binding modes.
Structure, 32, 2024
8JCK
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BU of 8jck by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 32
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Zhao, Y, Zhu, Y, Rao, Z.
登録日2023-05-11
公開日2024-05-15
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献De novo design of SARS-CoV-2 main protease inhibitors with characteristic binding modes.
Structure, 32, 2024
8JCM
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BU of 8jcm by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 55
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, HYDROSULFURIC ACID, ...
著者Zhao, Y, Zhu, Y, Rao, Z.
登録日2023-05-11
公開日2024-05-15
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献De novo design of SARS-CoV-2 main protease inhibitors with characteristic binding modes.
Structure, 32, 2024
8JCO
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BU of 8jco by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 65
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, methyl (2S)-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate
著者Zhao, Y, Zhu, Y, Rao, Z.
登録日2023-05-11
公開日2024-05-15
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献De novo design of SARS-CoV-2 main protease inhibitors with characteristic binding modes.
Structure, 32, 2024
8JCL
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BU of 8jcl by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 52
分子名称: 3-ethanoyl-N-phenyl-benzamide, 3C-like proteinase nsp5, HYDROSULFURIC ACID
著者Zhao, Y, Zhu, Y, Rao, Z.
登録日2023-05-11
公開日2024-05-15
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献De novo design of SARS-CoV-2 main protease inhibitors with characteristic binding modes.
Structure, 32, 2024
8JCJ
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BU of 8jcj by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 18
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Zhao, Y, Zhu, Y, Rao, Z.
登録日2023-05-11
公開日2024-05-15
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献De novo design of SARS-CoV-2 main protease inhibitors with characteristic binding modes.
Structure, 32, 2024
6NQ3
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BU of 6nq3 by Molmil
Crystal Structure of a SUZ12-RBBP4-PHF19-JARID2 Heterotetrameric Complex
分子名称: Histone-binding protein RBBP4, PHD finger protein 19, Polycomb protein SUZ12, ...
著者Chen, S, Jiao, L, Liu, X.
登録日2019-01-19
公開日2020-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献A Dimeric Structural Scaffold for PRC2-PCL Targeting to CpG Island Chromatin.
Mol.Cell, 77, 2020
8IPT
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BU of 8ipt by Molmil
Cryo-EM structure of heme transporter CydDC from Escherichia coli in the occluded ATP bound state
分子名称: ABC transporter, CydDC cysteine exporter (CydDC-E) family, permease/ATP-binding protein CydC, ...
著者Zhu, C, Li, J.
登録日2023-03-14
公開日2023-06-14
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPR
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BU of 8ipr by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the outward facing ATP bound state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, MAGNESIUM ION, ...
著者Zhu, C, Li, J.
登録日2023-03-14
公開日2023-06-14
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPS
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BU of 8ips by Molmil
Cryo-EM structure of heme transporter CydDC from Escherichia coli in the inward facing heme loading state
分子名称: ABC transporter, CydDC cysteine exporter (CydDC-E) family, permease/ATP-binding protein CydC, ...
著者Zhu, C, Li, J.
登録日2023-03-14
公開日2023-06-14
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPQ
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BU of 8ipq by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the inward facing apo state
分子名称: Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, Transmembrane ATP-binding protein ABC transporter cydD
著者Zhu, C, Li, J.
登録日2023-03-14
公開日2023-06-14
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
7F6H
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BU of 7f6h by Molmil
Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and bradykinin
分子名称: Bradykinin, Bradykinin receptor BK2R, CHOLESTEROL, ...
著者Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H.
登録日2021-06-25
公開日2022-01-05
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of human bradykinin receptor-G q proteins complexes.
Nat Commun, 13, 2022
7F6I
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BU of 7f6i by Molmil
Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and kallidin
分子名称: Bradykinin receptor BK2R, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H.
登録日2021-06-25
公開日2022-01-05
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structures of human bradykinin receptor-G q proteins complexes.
Nat Commun, 13, 2022
8J69
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BU of 8j69 by Molmil
Crystal structure of HORMA domain-containing protein 1 (HORMAD1) from Homo sapiens
分子名称: HORMA domain-containing protein 1
著者Yang, X.Y, Liu, X.H.
登録日2023-04-25
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural and biochemical insights into the interaction mechanism underlying HORMAD1 and its partner proteins.
Structure, 31, 2023
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
分子名称: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,Probable G-protein coupled receptor 34,YL-365
著者Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
登録日2023-04-06
公開日2024-03-20
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
4R99
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BU of 4r99 by Molmil
Crystal structure of a uricase from Bacillus fastidious
分子名称: SULFATE ION, Uricase
著者Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F.
登録日2014-09-03
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
分子名称: 3C-like proteinase
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-08-29
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
2ICA
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BU of 2ica by Molmil
CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid
分子名称: 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID, Integrin alpha-L
著者Sheriff, S, Einspahr, H.
登録日2006-09-12
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1.
J.Med.Chem., 49, 2006

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