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8TGD
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BU of 8tgd by Molmil
STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha
分子名称: 1,2-ETHANEDIOL, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, ...
著者Hilbert, B, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J.
登録日2023-07-12
公開日2023-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.928 Å)
主引用文献STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
8TNO
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BU of 8tno by Molmil
UNC_239 from Chroma generative model
分子名称: UNC_239
著者Ng-Thow-Hing, C, Van Vlack, E.R, Lord, D.M.
登録日2023-08-02
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Illuminating protein space with a programmable generative model.
Nature, 623, 2023
4KZI
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BU of 4kzi by Molmil
Crystal Structure of TR3 LBD in complex with DPDO
分子名称: 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
登録日2013-05-30
公開日2013-12-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4LNU
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BU of 4lnu by Molmil
Nucleotide-free kinesin motor domain in complex with tubulin and a DARPin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D1, GLYCEROL, ...
著者Cao, L, Gigant, B, Knossow, M.
登録日2013-07-12
公開日2014-12-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The structure of apo-kinesin bound to tubulin links the nucleotide cycle to movement
Nat Commun, 5, 2014
4ID1
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BU of 4id1 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor
分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Gag-Pol polyprotein, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2012-12-11
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Allosteric integrase inhibitor potency is determined through the inhibition of HIV-1 particle maturation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KZM
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BU of 4kzm by Molmil
Crystal Structure of TR3 LBD S553A Mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
登録日2013-05-30
公開日2013-12-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
7LVM
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BU of 7lvm by Molmil
CASP8 isoform B DED domain
分子名称: Caspase-8
著者Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M.
登録日2021-02-25
公開日2022-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior.
ACR Open Rheumatol, 4, 2022
7LVJ
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CASP8 isoform G DED domain
分子名称: Isoform 9 of Caspase-8
著者Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M.
登録日2021-02-25
公開日2022-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior.
ACR Open Rheumatol, 4, 2022
8E2M
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BU of 8e2m by Molmil
Bruton's tyrosine kinase (BTK) with compound 13
分子名称: (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, Tyrosine-protein kinase BTK
著者Alexander, R, Milligan, C.M.
登録日2022-08-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 65, 2022
7MK1
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BU of 7mk1 by Molmil
Structure of a protein-modified aptamer complex
分子名称: Antiviral innate immune response receptor RIG-I, DNA (41-MER), MAGNESIUM ION, ...
著者Ren, X, Pyle, A.M.
登録日2021-04-21
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolving A RIG-I Antagonist: A Modified DNA Aptamer Mimics Viral RNA.
J.Mol.Biol., 433, 2021
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
分子名称: neoleukin-4
著者Jude, K.M, Spangler, J.B, Garcia, K.C.
登録日2022-08-06
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 2023
7N1R
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BU of 7n1r by Molmil
A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ...
著者Yang, J, Musayev, F, Liu, Q.
登録日2021-05-28
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP).
Protein Sci., 31, 2022
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
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
分子名称: Spike protein S1, scFv
著者Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
登録日2022-08-27
公開日2023-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
1ILW
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BU of 1ilw by Molmil
Crystal Structure of Pyrazinamidase/Nicotinamidase of Pyrococcus horikoshii
分子名称: 180 aa long hypothetical Pyrazinamidase/nicotinamidase
著者Du, X, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2001-05-08
公開日2001-12-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure and mechanism of catalysis of a pyrazinamidase from Pyrococcus horikoshii.
Biochemistry, 40, 2001
5XF7
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BU of 5xf7 by Molmil
Crystal structure of human protein disulfide isomerase-like protein of the testis
分子名称: Protein disulfide-isomerase-like protein of the testis
著者Li, H, Li, J, Liu, Y, Liang, H.
登録日2017-04-08
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.381 Å)
主引用文献Crystal and solution structures of human protein-disulfide isomerase-like protein of the testis (PDILT) provide insight into its chaperone activity
J. Biol. Chem., 293, 2018
1IM5
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BU of 1im5 by Molmil
Crystal Structure of Pyrazinamidase of Pyrococcus horikoshii in Complex with Zinc
分子名称: 180aa long hypothetical Pyrazinamidase/Nicotinamidase, ZINC ION
著者Du, X, Kim, S.-H.
登録日2001-05-09
公開日2001-12-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure and mechanism of catalysis of a pyrazinamidase from Pyrococcus horikoshii.
Biochemistry, 40, 2001
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
4C0O
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BU of 4c0o by Molmil
Transportin 3 in complex with phosphorylated ASF/SF2
分子名称: POTASSIUM ION, SERINE/ARGININE-RICH SPLICING FACTOR 1, TRANSPORTIN-3
著者Maertens, G.N, Cook, N.J, Cherepanov, P.
登録日2013-08-06
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.557 Å)
主引用文献Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
2HZ8
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BU of 2hz8 by Molmil
QM/MM structure refined from NMR-structure of a single chain diiron protein
分子名称: De novo designed diiron protein, ZINC ION
著者Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F.
登録日2006-08-08
公開日2007-07-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure, 16, 2008
4C0Q
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BU of 4c0q by Molmil
Transportin 3 in complex with Ran(Q69L)GTP
分子名称: GTP-BINDING NUCLEAR PROTEIN RAN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Maertens, G, Hare, S, Cherepanov, P.
登録日2013-08-06
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
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

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