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7ZFM
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BU of 7zfm by Molmil
Engineered Protein Targeting the Zika Viral Envelope Fusion Loop
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ...
Authors:Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop
SSRN, 2022
7ZF0
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BU of 7zf0 by Molmil
Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile
Descriptor: (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE, 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, ...
Authors:Putkaradze, N, Fredslund, F, Welner, D.H.
Deposit date:2022-03-31
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022
7ZA1
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BU of 7za1 by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZA2
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BU of 7za2 by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZA3
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BU of 7za3 by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZAW
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BU of 7zaw by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZAV
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BU of 7zav by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZBD
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BU of 7zbd by Molmil
HaloTag with TRaQ-G ligand
Descriptor: (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBB
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BU of 7zbb by Molmil
HaloTag with TRaQ-G-ctrl ligand
Descriptor: (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBA
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BU of 7zba by Molmil
HaloTag with Me-TRaQ-G ligand
Descriptor: 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZAK
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BU of 7zak by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
7ZFR
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BU of 7zfr by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ...
Authors:Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
Deposit date:2022-04-01
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
7PPL
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BU of 7ppl by Molmil
SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636)
Descriptor: ETHANOL, GLYCEROL, Insulin receptor substrate 1, ...
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPN
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BU of 7ppn by Molmil
SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
Descriptor: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
Descriptor: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PJH
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BU of 7pjh by Molmil
Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8
Descriptor: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
Authors:Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
Deposit date:2021-08-24
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bothe, S, Schindelin, H.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
Descriptor: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
Authors:Bobrovs, R, Jaudzems, K.
Deposit date:2022-01-28
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
7RNJ
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BU of 7rnj by Molmil
S2P6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide
Descriptor: Monoclonal antibody S2P6 Fab heavy chain, Monoclonal antibody S2P6 Fab light chain, SULFATE ION, ...
Authors:Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M, Sauer, M.M, Veesler, D.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Broad betacoronavirus neutralization by a stem helix-specific human antibody.
Science, 373, 2021
7R7M
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BU of 7r7m by Molmil
Crystal structure of Triosephosphate isomerase from Candidate division Katanobacteria (WWE3) bacterium
Descriptor: PHOSPHATE ION, Triosephosphate isomerase
Authors:Vickers, C.J, Patrick, W.M, Fraga, D.
Deposit date:2021-06-24
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of WweTPI - Candidate division WWE3
To Be Published
7R3U
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BU of 7r3u by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Katariya, M, Leys, D, Levy, C.
Deposit date:2022-02-07
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7RVA
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BU of 7rva by Molmil
Updated Crystal Structure of Replication Initiator Protein REPE54.
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-08-18
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SGC
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BU of 7sgc by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal five prime phosphates.
Descriptor: DNA (5'-D(P*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-10-05
Release date:2021-10-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SDP
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BU of 7sdp by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates.
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-09-29
Release date:2021-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7S86
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BU of 7s86 by Molmil
Crystal structure of hydrophobin SC16, C2221
Descriptor: 1,2-ETHANEDIOL, Hydrophobin, SODIUM ION
Authors:Vergunst, K.L, Langelaan, D.N.
Deposit date:2021-09-17
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation
Sci Rep, 12, 2022

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