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8T6H
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X-ray crystal structure of PfA-M1(E319A)
分子名称: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ...
著者Webb, C.T, McGowan, S.
登録日2023-06-16
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
8T6B
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Human VMAT2 in complex with serotonin
分子名称: SEROTONIN, Synaptic vesicular amine transporter
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T6A
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Human VMAT2 in complex with reserpine
分子名称: Synaptic vesicular amine transporter, reserpine
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T69
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Human VMAT2 in complex with tetrabenazine
分子名称: Synaptic vesicular amine transporter, tetrabenazine
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T63
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Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
分子名称: Designed peptide PH1
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
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
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
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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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
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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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
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8T59
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Crystal structure of Para.09 bound to TREM2
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Para.09 heavy chain, ...
著者Wallweber, H, Hsu, P.L.
登録日2023-06-12
公開日2024-07-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining
To Be Published
8T58
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Structure of VHH-Fab complex with engineered FNQIKG elbow region
分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
著者Filippova, E.V, Kossiakoff, A.A.
登録日2023-06-12
公開日2023-11-29
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T55
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Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
分子名称: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-06-12
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
8T52
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BU of 8t52 by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with 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
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8T51
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Crystal structure of Fab 3.10C2 bound to TREM2
分子名称: 3.10C2 Fab heavy chain, 3.10C2 Fab light chain, ACETATE ION, ...
著者Hsu, P.L, Wallweber, H.
登録日2023-06-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining
To Be Published
8T50
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Open human HCN1 F186C S264C bound to cAMP, reconstituted in LMNG + SPL
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
著者Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B.
登録日2023-06-12
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for hyperpolarization-dependent opening of human HCN1 channel.
Nat Commun, 15, 2024
8T4Y
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Human HCN1 F186C S264C C309A bound to cAMP, reconstituted in LMNG + SPL
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
著者Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B.
登録日2023-06-12
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Structural basis for hyperpolarization-dependent opening of human HCN1 channel.
Nat Commun, 15, 2024
8T4V
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Crystal structure of compound 1 bound to K-Ras(G12D)
分子名称: 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Zhang, Z, Zheng, Q, Guiley, K.Z, Shokat, K.M.
登録日2023-06-10
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D.
Nat.Chem.Biol., 2024
8T4T
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Crystal structure of LC3A in complex with the LIR of TP53INP2/DOR
分子名称: Tumor protein p53-inducible nuclear protein 2,Microtubule-associated proteins 1A/1B light chain 3A chimera
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-10
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.359 Å)
主引用文献Structural and functional characterization of the role of acetylation on the interactions of the human Atg8-family proteins with the autophagy receptor TP53INP2/DOR.
Autophagy, 2024
8T4S
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MERS-CoV Nsp1 protein bound to the Human 40S Ribosomal subunit
分子名称: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Devarkar, S.C, Xiong, Y.
登録日2023-06-09
公開日2023-10-04
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for translation inhibition by MERS-CoV Nsp1 reveals a conserved mechanism for betacoronaviruses.
Cell Rep, 42, 2023
8T4P
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Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor
分子名称: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-06-09
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024

223532

件を2024-08-07に公開中

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