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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
4RBW
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BU of 4rbw by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant)
分子名称: CHLORIDE ION, Defensin-5, SULFATE ION
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2014-09-13
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-26
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
6IIL
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BU of 6iil by Molmil
USP14 catalytic domain bind to IU1-47
分子名称: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W.
登録日2018-10-07
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
8U1U
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BU of 8u1u by Molmil
Structure of a class A GPCR/agonist complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Sun, D, Johnson, M, Masureel, M.
登録日2023-09-02
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
6LNT
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BU of 6lnt by Molmil
Cryo-EM structure of immature Zika virus in complex with human antibody DV62.5 Fab
分子名称: Envelope protein, Fab DV62.5 heavy-chain variable region, Fab DV62.5 light-chain variable region, ...
著者Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M.
登録日2020-01-02
公開日2020-02-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
8U5A
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BU of 8u5a by Molmil
Improving protein expression, stability, and function with ProteinMPNN
分子名称: Designed myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Kalvet, I, Bera, A.K, Baker, D.
登録日2023-09-12
公開日2024-01-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improving Protein Expression, Stability, and Function with ProteinMPNN.
J.Am.Chem.Soc., 146, 2024
8IM7
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BU of 8im7 by Molmil
Human gamma-secretase treated with ganglioside GM1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Zhou, R, Yang, G, Shi, Y.
登録日2023-03-06
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Preferential Regulation of Gamma-Secretase-Mediated Cleavage of APP by Ganglioside GM1 Reveals a Potential Therapeutic Target for Alzheimer's Disease.
Adv Sci, 10, 2023
5X83
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BU of 5x83 by Molmil
Structure of DCC FN456 domains
分子名称: Netrin receptor DCC
著者Finci, F.I, Xiao, J, Wang, J.
登録日2017-02-28
公開日2017-09-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.997 Å)
主引用文献Structure of unliganded membrane-proximal domains FN4-FN5-FN6 of DCC
Protein Cell, 8, 2017
5XOB
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BU of 5xob by Molmil
Crystal structure of apo TiaS (tRNAIle2 agmatidine synthetase)
分子名称: MAGNESIUM ION, ZINC ION, tRNA(Ile2) 2-agmatinylcytidine synthetase TiaS
著者Dong, J.
登録日2017-05-27
公開日2018-08-29
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
5XWP
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BU of 5xwp by Molmil
Crystal structure of LbuCas13a-crRNA-target RNA ternary complex
分子名称: RNA (30-MER), RNA (59-MER), Uncharacterized protein
著者Liu, L, Li, X, Li, Z, Wang, Y.
登録日2017-06-30
公開日2017-09-13
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3.086 Å)
主引用文献The Molecular Architecture for RNA-Guided RNA Cleavage by Cas13a.
Cell, 170, 2017
2ERF
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BU of 2erf by Molmil
Crystal Structure of the Thrombospondin-1 N-terminal Domain at 1.45A Resolution
分子名称: Thrombospondin-1
著者Tan, K, Wang, J, Lawler, J.
登録日2005-10-24
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The structures of the thrombospondin-1 N-terminal domain and its complex with a synthetic pentameric heparin.
Structure, 14, 2006
4OQ3
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BU of 4oq3 by Molmil
Tetra-substituted imidazoles as a new class of inhibitors of the p53-MDM2 interaction
分子名称: 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid, E3 ubiquitin-protein ligase Mdm2
著者Kallen, J.
登録日2014-02-07
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tetra-substituted imidazoles as a new class of inhibitors of the p53-MDM2 interaction.
Bioorg.Med.Chem.Lett., 24, 2014
2ES3
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BU of 2es3 by Molmil
Crystal Structure of Thrombospondin-1 N-terminal Domain in P1 Form at 1.85A Resolution
分子名称: Thrombospondin-1
著者Tan, K, Wang, J, Lawler, J.
登録日2005-10-25
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal Domain.
J.Biol.Chem., 283, 2008
5N19
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BU of 5n19 by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
著者Zhang, L, Ma, Q, Hilgenfeld, R.
登録日2017-02-05
公開日2018-02-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
8VF6
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BU of 8vf6 by Molmil
Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211
分子名称: Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
著者Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M.
登録日2023-12-21
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Reversible male contraception by targeted inhibition of serine/threonine kinase 33.
Science, 384, 2024
5YSX
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BU of 5ysx by Molmil
Structure of P domain of GII.2 Noroviruses
分子名称: VP1
著者Duan, Z, Ao, Y.
登録日2017-11-16
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.202 Å)
主引用文献Genetic Analysis of Reemerging GII.P16-GII.2 Noroviruses in 2016-2017 in China.
J. Infect. Dis., 218, 2018
5YIM
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BU of 5yim by Molmil
Structure of a Legionella effector
分子名称: SdeA
著者Feng, Y, Dong, Y, Wang, W.
登録日2017-10-05
公開日2018-05-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.394 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
5NH0
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BU of 5nh0 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Zhang, L, Hilgenfeld, R.
登録日2017-03-21
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
2GA2
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BU of 2ga2 by Molmil
h-MetAP2 complexed with A193400
分子名称: 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Park, C.
登録日2006-03-07
公開日2007-03-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties.
Bioorg.Med.Chem.Lett., 16, 2006
5YIK
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BU of 5yik by Molmil
Structure of a Legionella effector with its substrate
分子名称: SdeA, ubiquitin
著者Feng, Y, Dong, Y, Liu, Z.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
著者Ma, Q, Zhang, L, Hilgenfeld, R.
登録日2017-03-15
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5YIJ
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BU of 5yij by Molmil
Structure of a Legionella effector with substrates
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin
著者Feng, Y, Mu, Y, Wang, H.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
6NAE
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BU of 6nae by Molmil
Crystal Structure of Ebola zaire GP protein with bound ARN0074898
分子名称: (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-05
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Adamantane Carboxamides as Ebola Virus Cell Entry and Glycoprotein Inhibitors.
Acs Med.Chem.Lett., 11, 2020
5N5O
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BU of 5n5o by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
著者Zhang, L, Hilgenfeld, R.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published

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件を2024-08-28に公開中

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