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8CZN
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BU of 8czn by Molmil
Crystal Structure of EcDsbA in a complex with 1H-pyrrole-3-carboxylic acid
Descriptor: 1H-pyrrole-3-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-25
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
6WW9
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BU of 6ww9 by Molmil
Crystal structure of human REV7(R124A)-SHLD3(35-58) complex
Descriptor: Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 3
Authors:Xie, W, Patel, D.J.
Deposit date:2020-05-08
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
8DG1
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BU of 8dg1 by Molmil
Crystal Structure of EcDsbA in a complex with DMSO
Descriptor: COPPER (II) ION, DIMETHYL SULFOXIDE, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-06-23
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8D11
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BU of 8d11 by Molmil
Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-5-amine
Descriptor: 1-methyl-1H-pyrazol-5-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-26
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8CXE
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BU of 8cxe by Molmil
Crystal Structure of EcDsbA in a complex with 1H-imidazole
Descriptor: IMIDAZOLE, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-20
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8D10
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BU of 8d10 by Molmil
Crystal Structure of EcDsbA in a complex with (1-methyl-1H-pyrazol-5-yl)methanamine
Descriptor: 1-(1-methyl-1H-pyrazol-5-yl)methanamine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-26
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8DG2
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BU of 8dg2 by Molmil
Crystal Structure of EcDsbA in a complex with DMSO
Descriptor: COPPER (II) ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-06-23
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8D8I
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BU of 8d8i by Molmil
Crystal structure of Reverb alpha in complex with synthetic agonist
Descriptor: (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine, Nuclear receptor corepressor 1, Nuclear receptor subfamily 1 group D member 1
Authors:Ronin, C, Ciesielski, F, Hegazy, L, Burris, P.T.
Deposit date:2022-06-08
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural basis of synthetic agonist activation of the nuclear receptor REV-ERB.
Nat Commun, 13, 2022
8HRF
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BU of 8hrf by Molmil
Catalytic domain of Vibrio parahaemolyticus chitinase 1
Descriptor: ACETATE ION, CALCIUM ION, Chitinase
Authors:Nakamura, A.
Deposit date:2022-12-15
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic domain of Vibrio parahaemolyticus chitinase 1
To Be Published
6WKL
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BU of 6wkl by Molmil
Fab Fragment of Anti-human LAG3 antibody (BAP050)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAP050 Fab Heavy Chain, BAP050 Fab Light Chain
Authors:Agnihotri, P, Mishra, A.K, Mariuzza, R.A.
Deposit date:2020-04-16
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Fab Fragment of Anti-human LAG3 antibody
To Be Published
8CXJ
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BU of 8cxj by Molmil
The IgI3 domain of R28 protein from S. pyogenes bound to CEACAM1
Descriptor: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, ...
Authors:Bonsor, D.A, McCarthy, A.J.
Deposit date:2022-05-21
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Human CEACAM1 is targeted by a Streptococcus pyogenes adhesin implicated in puerperal sepsis pathogenesis.
Nat Commun, 14, 2023
6WEO
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BU of 6weo by Molmil
IL-22 Signaling Complex with IL-22R1 and IL-10Rbeta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Saxton, R.A, Jude, K.M, Henneberg, L.T, Garcia, K.C.
Deposit date:2020-04-02
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The tissue protective functions of interleukin-22 can be decoupled from pro-inflammatory actions through structure-based design.
Immunity, 54, 2021
8T36
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BU of 8t36 by Molmil
Crystal structure of K49 acetylated LC3A in complex with the LIR of TP53INP2/DOR
Descriptor: 1,2-ETHANEDIOL, 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:2023-06-07
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.852 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
8TC5
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BU of 8tc5 by Molmil
Cryo-EM Structure of Spike Glycoprotein from Civet Coronavirus SZ3 in Closed Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bostina, M, Hills, F.R, Eruera, A.
Deposit date:2023-06-29
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:Variation in structural motifs within SARS-related coronavirus spike proteins.
Plos Pathog., 20, 2024
8T31
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BU of 8t31 by Molmil
Crystal structure of GABARAP in complex with the LIR of TP53INP2/DOR
Descriptor: Gamma-aminobutyric acid receptor-associated protein, Tumor protein p53-inducible nuclear protein 2
Authors:Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
Deposit date:2023-06-07
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.096 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
8CW2
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BU of 8cw2 by Molmil
Crystal structure of TDP1 complexed with compound XZ760
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ...
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-05-18
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
8CVQ
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BU of 8cvq by Molmil
Crystal structure of TDP1 complexed with compound XZ761
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ...
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-05-18
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
8T35
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BU of 8t35 by Molmil
Crystal structure of K51 acetylated LC3A in complex with the LIR of TP53INP2/DOR
Descriptor: 1,2-ETHANEDIOL, Tumor protein p53-inducible nuclear protein 2,Microtubule-associated proteins 1A/1B light chain 3A
Authors:Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
Deposit date:2023-06-07
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.902 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
8EF3
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BU of 8ef3 by Molmil
Crystal structure of a NHP anti-ZIKV neutralizing antibody rhMZ119-D
Descriptor: rhMZ119-D antibody heavy chain, rhMZ119-D antibody light chain
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-09-07
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.672 Å)
Cite:Zika-specific neutralizing antibodies targeting inter-dimer envelope epitopes.
Cell Rep, 42, 2023
7UU5
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BU of 7uu5 by Molmil
Crystal structure of APOBEC3G complex with 5'-Overhang dsRNA
Descriptor: DNA dC->dU-editing enzyme APOBEC-3G, RNA (5'-R(P*UP*AP*AP*CP*CP*GP*CP*AP*GP*CP*G)-3'), RNA (5'-R(P*UP*AP*AP*CP*GP*CP*UP*GP*CP*GP*G)-3'), ...
Authors:Yang, H, Li, S, Chen, X.S.
Deposit date:2022-04-28
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of sequence-specific RNA recognition by the antiviral factor APOBEC3G.
Nat Commun, 13, 2022
8EVZ
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BU of 8evz by Molmil
DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase B, MAGNESIUM ION, ...
Authors:Pederick, J.L, Woolman, J.C, Bruning, J.B.
Deposit date:2022-10-21
Release date:2023-08-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
8EF1
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BU of 8ef1 by Molmil
Crystal structure of a NHP anti-ZIKV neutralizing antibody rhMZ103-A
Descriptor: rhMZ103-A antibody heavy chain, rhMZ103-A antibody light chain
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-09-07
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Zika-specific neutralizing antibodies targeting inter-dimer envelope epitopes.
Cell Rep, 42, 2023
8EOX
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BU of 8eox by Molmil
Precisely patterned nanofibers made from extendable protein multiplexes
Descriptor: C4HR1_4r
Authors:Bera, A.K, Bethel, N.P.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
8EEZ
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BU of 8eez by Molmil
Crystal structure of a NHP anti-ZIKV neutralizing antibody rhMZ100-C
Descriptor: rhMZ100-C antibody heavy chain, rhMZ100-C antibody light chain
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-09-07
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Zika-specific neutralizing antibodies targeting inter-dimer envelope epitopes.
Cell Rep, 42, 2023
8EFJ
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BU of 8efj by Molmil
A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
Descriptor: (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Park, H, Feng, Y.
Deposit date:2022-09-08
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
To Be Published

224201

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