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8T62
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Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
分子名称: Designed peptide BH21
著者McShan, A.C, Torres, M.P.
登録日2023-06-15
公開日2023-06-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T61
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Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)
分子名称: Designed peptide BH33
著者McShan, A.C, Torres, M.P.
登録日2023-06-15
公開日2023-06-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T60
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CryoEM structure of an inward-facing MelBSt at a Na(+)-bound and sugar low-affinity conformation
分子名称: Melibiose permease, NabFab_H Chain, NabFab_L Chain, ...
著者Guan, L.
登録日2023-06-14
公開日2024-02-28
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Mobile barrier mechanisms for Na + -coupled symport in an MFS sugar transporter.
Elife, 12, 2024
8T5Z
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BU of 8t5z by Molmil
Influenza PA-N Endonuclease (amino acids 52-74 truncation)
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-14
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T5Y
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BU of 8t5y by Molmil
Structure of Rhodococcus sp. USK13 DarR(K44A)-cAMP complex
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DarR
著者Schumacher, M.A.
登録日2023-06-14
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8T5X
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Probing the dissociation pathway of a kinetically labile transthyretin mutant (A25T)
分子名称: Transthyretin
著者Ferguson, J.A, Sun, X, Leach, B.I, Stanfield, R.L, Dyson, H.J, Wright, P.E.
登録日2023-06-14
公開日2023-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Probing the Dissociation Pathway of a Kinetically Labile Transthyretin Mutant.
J.Am.Chem.Soc., 146, 2024
8T5W
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Influenza PAN endonuclease I38T mutant with Baloxavir
分子名称: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-14
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T5U
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ATP-1 state of Bcs1 (C7 symmetrized)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
著者Zhan, J, Xia, D.
登録日2023-06-14
公開日2024-06-05
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Nat Commun, 15, 2024
8T5T
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Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi (steric acid bound)
分子名称: Outer membrane lipoprotein carrier protein (LolA), STEARIC ACID, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-06-14
公開日2023-06-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi (steric acid bound)
To be published
8T5S
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Cryo-EM structure of DRH-1 helicase and C-terminal domain bound to dsRNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, Dicer-related helicase, MAGNESIUM ION, ...
著者Consalvo, C.D, Donelick, H.M, Shen, P.S, Bass, B.L.
登録日2023-06-14
公開日2024-05-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Caenorhabditis elegans Dicer acts with the RIG-I-like helicase DRH-1 and RDE-4 to cleave dsRNA.
Elife, 13, 2024
8T5R
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BU of 8t5r by Molmil
SOS2 crystal structure with fragment bound (compound 13)
分子名称: 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2
著者Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J.
登録日2023-06-14
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
8T5Q
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SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain
分子名称: DI(HYDROXYETHYL)ETHER, ORF3a protein, TETRAETHYLENE GLYCOL, ...
著者Busscher, B.M, Xiao, T.S.
登録日2023-06-14
公開日2023-11-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8T5P
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SARS-CoV-2 ORF3a peptide in complex with TRAF3 TRAF domain
分子名称: ORF3a protein, TNF receptor-associated factor 3
著者Busscher, B.M, Xiao, T.S.
登録日2023-06-14
公開日2023-11-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8T5N
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BU of 8t5n by Molmil
Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (AMP-Mg bound)
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-06-14
公開日2023-06-28
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 of Glycine--tRNA ligase from Mycobacterium tuberculosis (AMP-Mg bound)
To be published
8T5M
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BU of 8t5m by Molmil
SOS2 crystal structure with fragment bound (compound 14)
分子名称: 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ...
著者Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J.
登録日2023-06-14
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
8T5L
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BU of 8t5l by Molmil
Crystal structure of STING CTD in complex with 2'3'-cGAMP
分子名称: Stimulator of interferon genes protein, cGAMP
著者Li, Y, Li, P, Sun, D.
登録日2023-06-13
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
8T5K
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BU of 8t5k by Molmil
Crystal structure of STING CTD in complex with BDW-OH
分子名称: Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid
著者Li, Y, Li, P, Sun, D.
登録日2023-06-13
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
8T5J
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BU of 8t5j by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella philomiragia
分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-06-13
公開日2023-06-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella philomiragia
To be published
8T5I
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Crystal structure of human WDR5 in complex with MR4397
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ...
著者Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-06-13
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human WDR5 in complex with MR4397
To be published
8T5G
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BU of 8t5g by Molmil
SOS2 co-crystal structure with fragment bound (compound 12)
分子名称: DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ...
著者Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
8T5F
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BU of 8t5f by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: Parathyroid hormone
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8T5E
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BU of 8t5e by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: Bcl-2-like protein 11, Bim_fulldiff
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8T5C
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Lassa GPC Trimer in complex with Fab 8.11G and nanobody D5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8.11G Heavy Chain, 8.11G Light Chain, ...
著者Gorman, J, Kwong, P.D.
登録日2023-06-13
公開日2024-01-03
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Cleavage-intermediate Lassa virus trimer elicits neutralizing responses, identifies neutralizing nanobodies, and reveals an apex-situated site-of-vulnerability.
Nat Commun, 15, 2024
8T5B
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BU of 8t5b by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor EKC-110
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase, MAGNESIUM ION
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Understanding the resistance of Y99H and A128T mutations in HIV-1 Integrase against the effective anti-HIV drugs of STP0404 and BKC11
To Be Published
8T5A
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HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献HIV-1 Integrase Catalytic Core Domain (CCD) Y99H/A128T mutant complexed with BKC-110
To Be Published

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件を2024-06-26に公開中

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