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8TUP
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Cryo-EM structure of the human MRS2 magnesium channel under Mg2+-free condition
分子名称: MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial
著者Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D.
登録日2023-08-16
公開日2023-09-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
8U4U
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Crystal structure of 53BP1 tandem Tudor domain homodimer engineered with two disulfide bridges
分子名称: TP53-binding protein 1
著者Cui, G, Botuyan, M.V, Thompson, J.R, Mer, G.
登録日2023-09-11
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering.
Nat Commun, 14, 2023
8TUL
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BU of 8tul by Molmil
Cryo-EM structure of the human MRS2 magnesium channel under Mg2+ condition
分子名称: MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial
著者Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D.
登録日2023-08-16
公開日2023-09-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
2OTQ
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Structure of the antimicrobial peptide cyclo(RRWFWR) bound to DPC micelles
分子名称: cRW3 cationic antimicrobial peptide
著者Appelt, C, Wesselowski, A, Soderhall, J.A, Dathe, M, Schmieder, P.
登録日2007-02-09
公開日2007-12-25
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Structures of cyclic, antimicrobial peptides in a membrane-mimicking environment define requirements for activity.
J.Pept.Sci., 14, 2007
8U3M
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BU of 8u3m by Molmil
The FARFAR-MD-NMR ensemble of an HIV-1 TAR excited state
分子名称: The excited state of HIV-1 transactivation response element (31-MER)
著者Geng, A, Ganser, L, Roy, R, Shi, H, Pratihar, S, Case, D.A, Al-Hashimi, H.M.
登録日2023-09-07
公開日2023-10-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An RNA excited conformational state at atomic resolution.
Nat Commun, 14, 2023
7SD5
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Crystallographic structure of neutralizing antibody 10-40 in complex with SARS-CoV-2 spike receptor binding domain
分子名称: 10-40 Heavy chain, 10-40 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Casner, R.G, Shapiro, L.
登録日2021-09-29
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
7SI2
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Crystal structure of neutralizing antibody 10-28 in complex with SARS-CoV-2 spike receptor binding domain (RBD)
分子名称: 10-28 Heavy Chain, 10-28 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Shapiro, L.
登録日2021-10-12
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
2P4E
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Crystal Structure of PCSK9
分子名称: MERCURY (II) ION, Proprotein convertase subtilisin/kexin type 9
著者Cunningham, D, Danley, D.E, Geoghegan, F.K, Griffor, M.C, Hawkins, J.L, Qiu, X.
登録日2007-03-12
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural and biophysical studies of PCSK9 and its mutants linked to familial hypercholesterolemia.
Nat.Struct.Mol.Biol., 14, 2007
8TXG
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Crystal structure of KRAS G12D in complex with GDP and compound 8
分子名称: (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Chen, P, Irimia, A, Yang, Z.
登録日2023-08-23
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
2P6R
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Crystal structure of superfamily 2 helicase Hel308 in complex with unwound DNA
分子名称: 25-MER, 5'-D(*CP*TP*AP*GP*AP*GP*AP*CP*TP*AP*TP*CP*GP*AP*T)-3', afUHEL308 HELICASE
著者Buettner, K, Nehring, S, Hopfner, K.P.
登録日2007-03-19
公開日2007-06-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for DNA duplex separation by a superfamily-2 helicase.
Nat.Struct.Mol.Biol., 14, 2007
8TTW
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Cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with temsavir, 8ANC195, and 10-1074
分子名称: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 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Tolbert, W.D, Pozharski, E, Pazgier, M.
登録日2023-08-15
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
7THX
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Cryo-EM structure of W6 possum enterovirus
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Wang, I, Jayawardena, N, Strauss, M, Bostina, M.
登録日2022-01-12
公開日2022-03-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Cryo-EM Structure of a Possum Enterovirus.
Viruses, 14, 2022
8TXE
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Crystal structure of KRAS G12D in complex with GDP and compound 5
分子名称: (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Chen, P, Irimia, A, Yang, Z.
登録日2023-08-23
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8TU6
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CryoEM structure of PI3Kalpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Valverde, R, Shi, H, Holliday, M.
登録日2023-08-15
公開日2023-11-15
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
2OX2
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BU of 2ox2 by Molmil
Structure of the cantionic, antimicrobial hexapeptide cyclo(RRWWFR) bound to DPC-micelles
分子名称: cRW2 peptide
著者Appelt, C, Wessolowski, A, Soderhall, J.A, Dathe, M, Schmieder, P.
登録日2007-02-19
公開日2007-12-25
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structures of cyclic, antimicrobial peptides in a membrane-mimicking environment define requirements for activity.
J.Pept.Sci., 14, 2007
8TSA
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BU of 8tsa by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 2
分子名称: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSB
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Human PI3K p85alpha/p110alpha bound to compound 2
分子名称: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS8
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p85alpha/p110alpha heterodimer H1047R mutant
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS7
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BU of 8ts7 by Molmil
Human PI3K p85alpha/p110alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSD
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Human PI3K p85alpha/p110alpha bound to RLY-2608
分子名称: N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
2PE8
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Crystal structure of the UHM domain of human SPF45 (free form)
分子名称: Splicing factor 45
著者Corsini, L, Basquin, J, Hothorn, M, Sattler, M.
登録日2007-04-02
公開日2007-06-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献U2AF-homology motif interactions are required for alternative splicing regulation by SPF45.
Nat.Struct.Mol.Biol., 14, 2007
7TTM
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BU of 7ttm by Molmil
Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat SHC014 receptor-binding domain
分子名称: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Shapiro, L.
登録日2022-02-01
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
7TTX
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Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat RaTG13 receptor-binding domain
分子名称: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Shapiro, L.
登録日2022-02-02
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
2PEH
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Crystal structure of the UHM domain of human SPF45 in complex with SF3b155-ULM5
分子名称: Splicing factor 3B subunit 1, Splicing factor 45
著者Corsini, L, Basquin, J, Hothorn, M, Sattler, M.
登録日2007-04-03
公開日2007-06-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献U2AF-homology motif interactions are required for alternative splicing regulation by SPF45.
Nat.Struct.Mol.Biol., 14, 2007
7TTY
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Crystal structure of potent neutralizing antibody 10-40 in complex with bat WIV1 receptor-binding domain
分子名称: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Shapiro, L.
登録日2022-02-02
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022

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