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8T6H
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X-ray crystal structure of PfA-M1(E319A)
Descriptor: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ...
Authors:Webb, C.T, McGowan, S.
Deposit date:2023-06-16
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
8T6B
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BU of 8t6b by Molmil
Human VMAT2 in complex with serotonin
Descriptor: SEROTONIN, Synaptic vesicular amine transporter
Authors:Pidathala, S, Dai, Y, Lee, C.H.
Deposit date:2023-06-15
Release date:2023-11-01
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T6A
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BU of 8t6a by Molmil
Human VMAT2 in complex with reserpine
Descriptor: Synaptic vesicular amine transporter, reserpine
Authors:Pidathala, S, Dai, Y, Lee, C.H.
Deposit date:2023-06-15
Release date:2023-11-01
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T69
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Human VMAT2 in complex with tetrabenazine
Descriptor: Synaptic vesicular amine transporter, tetrabenazine
Authors:Pidathala, S, Dai, Y, Lee, C.H.
Deposit date:2023-06-15
Release date:2023-11-01
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T63
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BU of 8t63 by Molmil
Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
Descriptor: Designed peptide PH1
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T62
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BU of 8t62 by Molmil
Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
Descriptor: Designed peptide BH21
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T61
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BU of 8t61 by Molmil
Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)
Descriptor: Designed peptide BH33
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T5W
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BU of 8t5w by Molmil
Influenza PAN endonuclease I38T mutant with Baloxavir
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T5Q
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BU of 8t5q by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain
Descriptor: DI(HYDROXYETHYL)ETHER, ORF3a protein, TETRAETHYLENE GLYCOL, ...
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8T5P
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BU of 8t5p by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF3 TRAF domain
Descriptor: ORF3a protein, TNF receptor-associated factor 3
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-14
Release date:2023-06-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (AMP-Mg bound)
To be published
8T5C
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BU of 8t5c by Molmil
Lassa GPC Trimer in complex with Fab 8.11G and nanobody D5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8.11G Heavy Chain, 8.11G Light Chain, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2023-06-13
Release date:2024-01-03
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite: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
Descriptor: (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
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
Descriptor: (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
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8T59
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BU of 8t59 by Molmil
Crystal structure of Para.09 bound to TREM2
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Para.09 heavy chain, ...
Authors:Wallweber, H, Hsu, P.L.
Deposit date:2023-06-12
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining
To Be Published
8T58
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BU of 8t58 by Molmil
Structure of VHH-Fab complex with engineered FNQIKG elbow region
Descriptor: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
Authors:Filippova, E.V, Kossiakoff, A.A.
Deposit date:2023-06-12
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T55
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BU of 8t55 by Molmil
Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
Descriptor: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
Authors: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)
Deposit date:2023-06-12
Release date:2023-07-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (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
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8T51
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BU of 8t51 by Molmil
Crystal structure of Fab 3.10C2 bound to TREM2
Descriptor: 3.10C2 Fab heavy chain, 3.10C2 Fab light chain, ACETATE ION, ...
Authors:Hsu, P.L, Wallweber, H.
Deposit date:2023-06-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining
To Be Published
8T50
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BU of 8t50 by Molmil
Open human HCN1 F186C S264C bound to cAMP, reconstituted in LMNG + SPL
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Authors:Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B.
Deposit date:2023-06-12
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for hyperpolarization-dependent opening of human HCN1 channel.
Nat Commun, 15, 2024
8T4Y
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BU of 8t4y by Molmil
Human HCN1 F186C S264C C309A bound to cAMP, reconstituted in LMNG + SPL
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Authors:Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural basis for hyperpolarization-dependent opening of human HCN1 channel.
Nat Commun, 15, 2024
8T4V
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BU of 8t4v by Molmil
Crystal structure of compound 1 bound to K-Ras(G12D)
Descriptor: 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, ...
Authors:Zhang, Z, Zheng, Q, Guiley, K.Z, Shokat, K.M.
Deposit date:2023-06-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D.
Nat.Chem.Biol., 2024
8T4T
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BU of 8t4t by Molmil
Crystal structure of LC3A in complex with the LIR of TP53INP2/DOR
Descriptor: Tumor protein p53-inducible nuclear protein 2,Microtubule-associated proteins 1A/1B light chain 3A chimera
Authors:Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
Deposit date:2023-06-10
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.359 Å)
Cite: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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BU of 8t4s by Molmil
MERS-CoV Nsp1 protein bound to the Human 40S Ribosomal subunit
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Devarkar, S.C, Xiong, Y.
Deposit date:2023-06-09
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite: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
Descriptor: 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, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-06-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024

223532

건을2024-08-07부터공개중

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