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8T62
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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
8T60
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BU of 8t60 by Molmil
CryoEM structure of an inward-facing MelBSt at a Na(+)-bound and sugar low-affinity conformation
Descriptor: Melibiose permease, NabFab_H Chain, NabFab_L Chain, ...
Authors:Guan, L.
Deposit date:2023-06-14
Release date:2024-02-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite: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)
Descriptor: MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite: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
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DarR
Authors:Schumacher, M.A.
Deposit date:2023-06-14
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8T5X
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BU of 8t5x by Molmil
Probing the dissociation pathway of a kinetically labile transthyretin mutant (A25T)
Descriptor: Transthyretin
Authors:Ferguson, J.A, Sun, X, Leach, B.I, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2023-06-14
Release date:2023-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Probing the Dissociation Pathway of a Kinetically Labile Transthyretin Mutant.
J.Am.Chem.Soc., 146, 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
8T5U
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BU of 8t5u by Molmil
ATP-1 state of Bcs1 (C7 symmetrized)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
Authors:Zhan, J, Xia, D.
Deposit date:2023-06-14
Release date:2024-06-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite: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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BU of 8t5t by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi (steric acid bound)
Descriptor: Outer membrane lipoprotein carrier protein (LolA), STEARIC ACID, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-14
Release date:2023-06-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Borrelia burgdorferi (steric acid bound)
To be published
8T5S
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BU of 8t5s by Molmil
Cryo-EM structure of DRH-1 helicase and C-terminal domain bound to dsRNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Dicer-related helicase, MAGNESIUM ION, ...
Authors:Consalvo, C.D, Donelick, H.M, Shen, P.S, Bass, B.L.
Deposit date:2023-06-14
Release date:2024-05-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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)
Descriptor: 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2
Authors:Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J.
Deposit date:2023-06-14
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite: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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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
8T5M
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BU of 8t5m by Molmil
SOS2 crystal structure with fragment bound (compound 14)
Descriptor: 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ...
Authors:Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J.
Deposit date:2023-06-14
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Li, Y, Li, P, Sun, D.
Deposit date:2023-06-13
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: 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
Authors:Li, Y, Li, P, Sun, D.
Deposit date:2023-06-13
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-13
Release date:2023-06-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella philomiragia
To be published
8T5I
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BU of 8t5i by Molmil
Crystal structure of human WDR5 in complex with MR4397
Descriptor: 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, ...
Authors: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)
Deposit date:2023-06-13
Release date:2023-08-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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)
Descriptor: DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ...
Authors:Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J.
Deposit date:2023-06-13
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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
Descriptor: Parathyroid hormone
Authors:Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-06-13
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: Bcl-2-like protein 11, Bim_fulldiff
Authors:Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-06-13
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
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
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:HIV-1 Integrase Catalytic Core Domain (CCD) Y99H/A128T mutant complexed with BKC-110
To Be Published

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PDB entries from 2024-06-26

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