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8T9Z
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Structural of M8C10 Fab in complex human metapneumovirus fusion protein
分子名称: Fusion glycoprotein F0, M8C10 Fab Heavy Chain, M8C10 Fab Light Chain
著者Su, H.P, Eddins, M.J, Shipman, J.M, Kostas, J, Reid, J.C.
登録日2023-06-26
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Structural characterization of M8C10, a neutralizing antibody targeting a highly conserved prefusion-specific epitope on the metapneumovirus fusion trimerization interface.
J.Virol., 97, 2023
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2020-08-21
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
8JB4
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BU of 8jb4 by Molmil
lipopolysaccharide-binding domain-LBDB
分子名称: Antilipopolysaccharide factor D
著者Huang, J, Qin, Z.
登録日2023-05-08
公開日2024-03-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Machine learning and genetic algorithm-guided directed evolution for the development of small-molecule antibiotics originating from antimicrobial peptides
To Be Published
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
分子名称: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2020-08-21
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
8IAB
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BU of 8iab by Molmil
The Arabidopsis CLCa transporter bound with chloride, ATP and PIP2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chloride channel protein CLC-a, ...
著者Yang, Z, Zhang, X, Zhang, P.
登録日2023-02-08
公開日2023-08-02
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
8IAD
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The Arabidopsis CLCa transporter bound with nitrate, ATP and PIP2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ...
著者Yang, Z, Zhang, X, Zhang, P.
登録日2023-02-08
公開日2023-08-02
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
7V69
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BU of 7v69 by Molmil
Cryo-EM structure of a class A GPCR-G protein complex
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Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V6A
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Cry-EM structure of M4-c110-G protein complex
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Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V68
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An Agonist and PAM-bound Class A GPCR with Gi protein complex structure
分子名称: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, J.J, Wu, L.J, Wu, M, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
8IJK
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BU of 8ijk by Molmil
human KCNQ2-CaM-Ebio1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-02-27
公開日2024-01-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
7BXO
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BU of 7bxo by Molmil
Crystal structure of the toxin-antitoxin with AMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Toxin-antitoxin system antidote Mnt family, ...
著者Ouyang, S.Y, Zhen, X.K.
登録日2020-04-20
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Novel polyadenylylation-dependent neutralization mechanism of the HEPN/MNT toxin/antitoxin system.
Nucleic Acids Res., 48, 2020
1C6X
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BU of 1c6x by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
分子名称: N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE, PROTEIN (PROTEASE)
著者Munshi, S.
登録日1999-12-28
公開日2000-12-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C6Y
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BU of 1c6y by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
分子名称: N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, PROTEIN (PROTEASE)
著者Munshi, S.
登録日1999-12-28
公開日2000-12-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
8IBV
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BU of 8ibv by Molmil
Cryo-EM structure of the motilin-bound motilin receptor-Gq protein complex
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(q) subunit alpha, ...
著者Jiang, Y, Xu, H.E, You, C, Xu, Y.
登録日2023-02-10
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural basis for motilin and erythromycin recognition by motilin receptor.
Sci Adv, 9, 2023
8IBU
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BU of 8ibu by Molmil
Cryo-EM structure of the erythromycin-bound motilin receptor-Gq protein complex
分子名称: ERYTHROMYCIN A, 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You, C, Jiang, Y, Xu, H.E, Xu, Y.
登録日2023-02-10
公開日2023-04-12
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Structural basis for motilin and erythromycin recognition by motilin receptor.
Sci Adv, 9, 2023
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2015-10-28
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
8W8D
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BU of 8w8d by Molmil
Structural mechanism of inhibition of the Rho transcription termination factor by Rof
分子名称: Protein rof, Transcription termination factor Rho
著者Zhang, J, Wang, C.
登録日2023-09-01
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献A widely conserved protein Rof inhibits transcription termination factor Rho and promotes Salmonella virulence program.
Nat Commun, 15, 2024
5EHP
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BU of 5ehp by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836
分子名称: 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2015-10-28
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016
5HJS
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Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
分子名称: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
著者Parthasarathy, G, Klein, D.
登録日2016-01-13
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
5HJP
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Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
分子名称: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ...
著者Parthasarathy, G, Klein, D.
登録日2016-01-13
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
8K4Q
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BU of 8k4q by Molmil
Crystal structure of nanobody HuNb103 bound to human interleukin-4 receptor subunit alpha
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, IL-4R nanobody HuNb103, ...
著者Ding, Y, Zhong, P.Y.
登録日2023-07-20
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献A Novel Inhalable Nanobody Targeting IL-4R alpha for the Treatment of Asthma.
J.Allergy Clin.Immunol., 2024
5ZXD
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BU of 5zxd by Molmil
Crystal structure of ATP-bound human ABCF1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family F member 1
著者Qu, L, Jiang, Y, Liu, Z.J.
登録日2018-05-18
公開日2018-07-25
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Crystal Structure of ATP-Bound Human ABCF1 Demonstrates a Unique Conformation of ABC Proteins
Structure, 26, 2018
8HLL
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BU of 8hll by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 1)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Wei, H, Guo, M, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLN
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BU of 8hln by Molmil
Crystal structure of p53/BCL2 fusion complex(complex3)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wei, H, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLM
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Crystal structure of p53/BCL2 fusion complex (complex 2)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wang, H, Wei, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023

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