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7TYP
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BU of 7typ by Molmil
TEAD2 bound to GNE-7883
Descriptor: (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4
Authors:Noland, C.L, Fong, R.
Deposit date:2022-02-14
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an expanded Hippo dependent landscape in cancers
To Be Published
1XAO
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BU of 1xao by Molmil
Hsp40-Ydj1 dimerization domain
Descriptor: Mitochondrial protein import protein MAS5
Authors:Wu, Y, Sha, B.
Deposit date:2004-08-26
Release date:2005-05-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The crystal structure of the C-terminal fragment of yeast Hsp40 Ydj1 reveals novel dimerization motif for Hsp40
J.Mol.Biol., 346, 2005
1XZY
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BU of 1xzy by Molmil
Solution structure of the P30-trans form of Alpha Hemoglobin Stabilizing Protein (AHSP)
Descriptor: Alpha-hemoglobin stabilizing protein
Authors:Gell, D.A, Feng, L, Zhou, S, Kong, Y, Lee, C, Weiss, M.J, Shi, Y, Mackay, J.P.
Deposit date:2004-11-12
Release date:2004-12-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Molecular mechanism of AHSP-mediated stabilization of alpha-hemoglobin
Cell(Cambridge,Mass.), 119, 2004
4IH5
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BU of 4ih5 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2012-12-18
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
7BRS
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BU of 7brs by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02
Descriptor: 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y.
Deposit date:2020-03-30
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
8DJG
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BU of 8djg by Molmil
ADGRL3-lectin domain in complex with an activating synthetic antibody fragment
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoform 2 of Adhesion G protein-coupled receptor L3, ...
Authors:Kordon, S.P, Bandekar, S.J, Arac, D.
Deposit date:2022-06-30
Release date:2023-02-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder.
Nat Commun, 14, 2023
8H5U
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BU of 8h5u by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-021, ...
Authors:Yang, J, Lin, S, Lu, G.W.
Deposit date:2022-10-13
Release date:2023-10-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
8H5T
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BU of 8h5t by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-015
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-015, Spike protein S1
Authors:Yang, J, Lin, S, Lu, G.W.
Deposit date:2022-10-13
Release date:2023-10-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
8EBN
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BU of 8ebn by Molmil
Structure of KLHDC2-EloB/C tetrameric assembly
Descriptor: Elongin-B, Elongin-C, Kelch domain-containing protein 2
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
8EBM
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BU of 8ebm by Molmil
Structure of KLHDC2 substrate binding domain bound to KLHDC2's C-degron mimic
Descriptor: ASN-GLN-ARG-PHE-GLY-SER-ASN-ASN-THR-SER-GLY-SER, Kelch domain-containing protein 2
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
8EBL
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BU of 8ebl by Molmil
Structure of KLHDC2 substrate binding domain bound to C-degron from EPHB2
Descriptor: GLU-ASP-SER-HIS-LYS-GLU-SER-ASN-ASP-CYS-SER-CYS-GLY-GLY, Kelch domain-containing protein 2
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
8EQB
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BU of 8eqb by Molmil
FAM46C/BCCIPalpha/Nanobody complex
Descriptor: Isoform 2 of BRCA2 and CDKN1A-interacting protein, Synthetic nanobody 1, Terminal nucleotidyltransferase 5C
Authors:Liu, S, Chen, H, Yin, Y, Bai, X, Zhang, X.
Deposit date:2022-10-07
Release date:2023-03-15
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Inhibition of FAM46/TENT5 activity by BCCIP alpha adopting a unique fold.
Sci Adv, 9, 2023
8EXE
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BU of 8exe by Molmil
Crystal structure of human FAM46A-BCCIPa complex at 3.5 angstrom resolution
Descriptor: Isoform 2 of BRCA2 and CDKN1A-interacting protein, Terminal nucleotidyltransferase 5A
Authors:Liu, S, Zhang, X.
Deposit date:2022-10-25
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of FAM46/TENT5 activity by BCCIP alpha adopting a unique fold.
Sci Adv, 9, 2023
8EXF
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BU of 8exf by Molmil
Crystal structure of human FAM46A-BCCIPa complex at 3.2 angstrom resolution
Descriptor: BCCIPa, Terminal nucleotidyltransferase 5A
Authors:Liu, S, Zhang, X.
Deposit date:2022-10-25
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Inhibition of FAM46/TENT5 activity by BCCIP alpha adopting a unique fold.
Sci Adv, 9, 2023
5VEQ
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BU of 5veq by Molmil
MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2Y
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
Deposit date:2017-04-05
Release date:2017-11-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
7W33
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BU of 7w33 by Molmil
The crystal structure of human CtsL in complex with 14a
Descriptor: N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2021-11-25
Release date:2023-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
7W34
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BU of 7w34 by Molmil
The crystal structure of human CtsL in complex with 14b
Descriptor: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2021-11-25
Release date:2023-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
8HSB
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BU of 8hsb by Molmil
Cryo-EM Structure of CdnG-E2 complex from Serratia marcescens (UltrAuFoil)
Descriptor: CdnG, Type VI secretion protein
Authors:Xiao, J, Wang, L.
Deposit date:2022-12-18
Release date:2024-05-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Phage defence system CBASS is regulated by a prokaryotic E2 enzyme that imitates the ubiquitin pathway.
Nat Microbiol, 9, 2024
5VEP
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BU of 5vep by Molmil
MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2F
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
Deposit date:2017-04-05
Release date:2017-11-29
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
4N6F
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BU of 4n6f by Molmil
Crystal structure of Amycolatopsis orientalis BexX complexed with G6P
Descriptor: CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase
Authors:Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
Deposit date:2013-10-11
Release date:2014-05-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
3R2D
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BU of 3r2d by Molmil
Crystal Structure of Antitermination Factors NusB and NusE in complex with dsRNA
Descriptor: 30S ribosomal protein S10, 5'-R(*GP*GP*CP*UP*CP*CP*UP*UP*GP*GP*CP*A)-3', DI(HYDROXYETHYL)ETHER, ...
Authors:Stagno, J.R, Ji, X.
Deposit date:2011-03-14
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structural basis for RNA recognition by NusB and NusE in the initiation of transcription antitermination.
Nucleic Acids Res., 39, 2011
8VH3
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BU of 8vh3 by Molmil
CH505.M5.G458Y CE2 Design SOSIP
Descriptor: CH505.CE2 SOSIP gp120, CH505.CE2 SOSIP gp41
Authors:Henderson, R, Acharya, P.
Deposit date:2023-12-30
Release date:2024-10-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Engineering immunogens that select for specific mutations in HIV broadly neutralizing antibodies.
Nat Commun, 15, 2024
8VGW
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BU of 8vgw by Molmil
VRC01 Fab bound to the HIV-1 CH848 DE3 SOSIP
Descriptor: CH848 DE3 SOSIP gp120, CH848 DE3 SOSIP gp41, VRC01 Fab Heavy Chain, ...
Authors:Henderson, R, Acharya, P.
Deposit date:2023-12-29
Release date:2024-10-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Engineering immunogens that select for specific mutations in HIV broadly neutralizing antibodies.
Nat Commun, 15, 2024
8VGV
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BU of 8vgv by Molmil
DH270.6 Fab bound to the HIV-1 CH848 DE3 SOSIP
Descriptor: CH848 DE3 SOSIP gp120, CH848 DE3 SOSIP gp41, DH270.6 Antibody Fab Heavy Chain, ...
Authors:Henderson, R, Acharya, P.
Deposit date:2023-12-29
Release date:2024-10-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Engineering immunogens that select for specific mutations in HIV broadly neutralizing antibodies.
Nat Commun, 15, 2024
8VH2
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BU of 8vh2 by Molmil
CH235.12 Fab bound to the HIV-1 CH505.M5 SOSIP
Descriptor: CH235.12 Fab Heavy Chain, CH235.12 Fab Light Chain, CH505.M5.G458Y SOSIP gp120, ...
Authors:Henderson, R, Acharya, P.
Deposit date:2023-12-30
Release date:2024-10-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Engineering immunogens that select for specific mutations in HIV broadly neutralizing antibodies.
Nat Commun, 15, 2024

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