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7P0K
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BU of 7p0k by Molmil
Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand
Descriptor: 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H.
Deposit date:2021-06-29
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 2021
7OYD
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BU of 7oyd by Molmil
Cryo-EM structure of a rabbit 80S ribosome with zebrafish Dap1b
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A.
Deposit date:2021-06-24
Release date:2022-07-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
7P4A
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BU of 7p4a by Molmil
Non-canonical Staphylococcus aureus pathogenicity island repression.
Descriptor: Sri, Stl
Authors:Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Tan, J.A, Cogdell, R.J, Chen, J, Byron, O, Christie, G.E, Marina, A, Penades, J.R.
Deposit date:2021-07-10
Release date:2022-07-27
Last modified:2022-11-16
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Non-canonical Staphylococcus aureus pathogenicity island repression.
Nucleic Acids Res., 50, 2022
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
Deposit date:2020-07-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
7OYC
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BU of 7oyc by Molmil
Cryo-EM structure of the Xenopus egg 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A.
Deposit date:2021-06-24
Release date:2022-07-20
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
7OK3
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BU of 7ok3 by Molmil
Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor edaGDP
Descriptor: Isoform 2B of GTPase KRas, edaGDP
Authors:Goebel, L, Mueller, M.P, Rauh, D.
Deposit date:2021-05-17
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Targeting oncogenic KRasG13C with nucleotide-based covalent inhibitors.
Elife, 12, 2023
7OK4
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BU of 7ok4 by Molmil
Crystal Structure of KRasG13C in Complex with Nucleotide-based covalent Inhibitor bdaGDP
Descriptor: Isoform 2B of GTPase KRas, bdaGDP
Authors:Goebel, L, Mueller, M.P, Rauh, D.
Deposit date:2021-05-17
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting oncogenic KRasG13C with nucleotide-based covalent inhibitors.
Elife, 12, 2023
7P4C
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BU of 7p4c by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with noncovalent Cyclophellitol Sulfamidate probe KK131
Descriptor: (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, OXALATE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2021-07-11
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
7P4D
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BU of 7p4d by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with covalent Cyclophellitol Sulfamidate probe KK130
Descriptor: 1,2-ETHANEDIOL, OXALATE ION, Oligosaccharide 4-alpha-D-glucosyltransferase, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2021-07-11
Release date:2022-07-27
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
7P8J
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BU of 7p8j by Molmil
Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ...
Authors:Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F.
Deposit date:2021-07-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (6.585 Å)
Cite:Constrained Evolution of SARS-CoV-2 Spike in Rhinolophus affinis Bats
To Be Published
7P8I
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BU of 7p8i by Molmil
Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F.
Deposit date:2021-07-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Evidence of SARS-CoV-2 Direct Evolution in R. affinis Bats Driven by Affinity and Dynamics Optimization of the Spike Protein
To Be Published
7CUA
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BU of 7cua by Molmil
The structure of YoeB dimer from Staphylococcus aureus
Descriptor: SULFATE ION, YoeB
Authors:Yue, J, Xue, L.
Deposit date:2020-08-21
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Distinct oligomeric structures of the YoeB-YefM complex provide insights into the conditional cooperativity of type II toxin-antitoxin system.
Nucleic Acids Res., 48, 2020
7PRN
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BU of 7prn by Molmil
E1M, D97A, E99A MUTANT OF RH. BLASTICA PORIN
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PORIN
Authors:Maveyraud, L, Schmid, B, Schulz, G.E.
Deposit date:1998-06-12
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Porin mutants with new channel properties.
Protein Sci., 7, 1998
7CF9
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BU of 7cf9 by Molmil
Structure of RyR1 (Ca2+/CHL)
Descriptor: 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z.
Deposit date:2020-06-24
Release date:2020-09-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
7CT5
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BU of 7ct5 by Molmil
S protein of SARS-CoV-2 in complex bound with T-ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Guo, L, Bi, W.W, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q, Dang, B.B.
Deposit date:2020-08-18
Release date:2020-11-18
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Engineered trimeric ACE2 binds viral spike protein and locks it in "Three-up" conformation to potently inhibit SARS-CoV-2 infection.
Cell Res., 31, 2021
7CN8
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BU of 7cn8 by Molmil
Cryo-EM structure of PCoV_GX spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, ...
Authors:Wang, X, Yu, J, Zhang, S, Qiao, S, Zeng, J, Tian, L.
Deposit date:2020-07-30
Release date:2021-03-03
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021
7CN4
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BU of 7cn4 by Molmil
Cryo-EM structure of bat RaTG13 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Zhang, S, Qiao, S, Yu, J, Zeng, J, Tian, L.
Deposit date:2020-07-30
Release date:2021-03-03
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021
7CMZ
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BU of 7cmz by Molmil
Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8
Descriptor: DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ...
Authors:Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N.
Deposit date:2020-07-29
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability.
Sci Adv, 7, 2021
7C9N
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BU of 7c9n by Molmil
Crystal structure of SETDB1 tudor domain in complexed with Compound 1.
Descriptor: 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1
Authors:Guo, Y, Xiong, L, Mao, X, Yang, S.
Deposit date:2020-06-06
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.472 Å)
Cite:Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
7CP9
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BU of 7cp9 by Molmil
Cryo-EM structure of human mitochondrial translocase TOM complex at 3.0 angstrom.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ...
Authors:Guan, Z, Yan, L, Wang, Q, Yan, C, Yin, P.
Deposit date:2020-08-06
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into assembly of human mitochondrial translocase TOM complex.
Cell Discov, 7, 2021
7C5G
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BU of 7c5g by Molmil
Crystal Structure of C150S mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with PO4 at 1.98 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Zhang, L, Liu, M.R, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5N
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BU of 7c5n by Molmil
Crystal Structure of C150A+H177A mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli at 2.0 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5H
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BU of 7c5h by Molmil
Crystal Structure of Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli at 2.09 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5R
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BU of 7c5r by Molmil
Crystal Structure of C150S mutant Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli complexed with BPG at 2.31 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCERALDEHYDE-3-PHOSPHATE, ...
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5I
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BU of 7c5i by Molmil
Crystal Structure of C150A mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with PO4 at 2.49 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021

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