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8FY2
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BU of 8fy2 by Molmil
E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2)
Descriptor: Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ...
Authors:Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Ruben, E, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K.
Deposit date:2023-01-25
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
8FY0
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BU of 8fy0 by Molmil
E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL)
Descriptor: Bcl-2-like protein 1, CACODYLIC ACID, Elongin-B, ...
Authors:Olsen, S.K, Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D.
Deposit date:2023-01-25
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
8FY1
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BU of 8fy1 by Molmil
E3:PROTAC:target ternary complex structure (VCB/753b/BCL-2)
Descriptor: Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ...
Authors:Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K.
Deposit date:2023-01-25
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
4PKM
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BU of 4pkm by Molmil
Crystal Structure of Bacillus thuringiensis Cry51Aa1 Protoxin at 1.65 Angstroms Resolution
Descriptor: Cry51Aa1, GLYCEROL, GLYCINE, ...
Authors:Xu, C, Chinte, U, Chen, L, Yao, Q, Zhou, D, Meng, Y, Li, L, Rose, J, Bi, L.J, Yu, Z, Sun, M, Wang, B.C.
Deposit date:2014-05-15
Release date:2015-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Cry51Aa1: A potential novel insecticidal aerolysin-type beta-pore-forming toxin from Bacillus thuringiensis.
Biochem.Biophys.Res.Commun., 462, 2015
4O1R
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BU of 4o1r by Molmil
Crystal structure of NpuDnaB intein
Descriptor: CHLORIDE ION, GLYCEROL, Replicative DNA helicase, ...
Authors:Aranko, A.S, Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H.
Deposit date:2013-12-16
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-based engineering and comparison of novel split inteins for protein ligation.
Mol Biosyst, 10, 2014
4O1S
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BU of 4o1s by Molmil
Crystal structure of TvoVMA intein
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, ...
Authors:Aranko, A.S, Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H.
Deposit date:2013-12-16
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7008 Å)
Cite:Structure-based engineering and comparison of novel split inteins for protein ligation.
Mol Biosyst, 10, 2014
8CIN
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BU of 8cin by Molmil
BA.4/5-5 FAB IN COMPLEX WITH SARS-COV-2 BA.4 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, BA.4/5-5 fab HEAVY CHAIN, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E.
Deposit date:2023-02-10
Release date:2024-02-21
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86.
Nat Commun, 15, 2024
8HJE
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BU of 8hje by Molmil
Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28
Descriptor: 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28
Authors:Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-based discovery of potent USP28 inhibitors derived from Vismodegib.
Eur.J.Med.Chem., 254, 2023
8R1C
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BU of 8r1c by Molmil
SD1-2 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SD1-2 fab heavy chain, SD1-2 fab light chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2023-11-01
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86.
Nat Commun, 15, 2024
8R1D
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BU of 8r1d by Molmil
SD1-3 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SD1-3 Fab Heavy Chain, SD1-3 Fab Light Chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2023-11-01
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86.
Nat Commun, 15, 2024
5Z1G
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BU of 5z1g by Molmil
Structure of the Brx1 and Ebp2 complex
Descriptor: Ribosome biogenesis protein BRX1, SULFATE ION, rRNA-processing protein EBP2
Authors:Zheng, S, Ye, K.
Deposit date:2017-12-26
Release date:2018-04-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Cryo-EM structure of an early precursor of large ribosomal subunit reveals a half-assembled intermediate
Protein Cell, 10, 2019
4WBQ
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BU of 4wbq by Molmil
Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing.
Descriptor: CALCIUM ION, QDE-2-interacting protein
Authors:Boland, A, Weinert, T, Weichenrieder, O, Wang, M.
Deposit date:2014-09-03
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WBX
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BU of 4wbx by Molmil
Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
Descriptor: 2-keto acid:ferredoxin oxidoreductase subunit alpha
Authors:Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2014-09-04
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAB
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BU of 4wab by Molmil
Crystal structure of mPGES1 solved by native-SAD phasing
Descriptor: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
Authors:Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
Deposit date:2014-08-29
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
3IK3
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BU of 3ik3 by Molmil
AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-08-05
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
4WAU
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BU of 4wau by Molmil
Crystal structure of CENP-M solved by native-SAD phasing
Descriptor: Centromere protein M
Authors:Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M.
Deposit date:2014-09-01
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
2QYU
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BU of 2qyu by Molmil
Crystal structure of Salmonella effector protein SopA
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Secreted effector protein
Authors:Diao, J, Chen, J.
Deposit date:2007-08-15
Release date:2007-12-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of SopA, a Salmonella effector protein mimicking a eukaryotic ubiquitin ligase.
Nat.Struct.Mol.Biol., 15, 2008
2QZA
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BU of 2qza by Molmil
Crystal structure of Salmonella effector protein SopA
Descriptor: Secreted effector protein
Authors:Diao, J, Chen, J.
Deposit date:2007-08-16
Release date:2007-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of SopA, a Salmonella effector protein mimicking a eukaryotic ubiquitin ligase.
Nat.Struct.Mol.Biol., 15, 2008
7Q6E
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BU of 7q6e by Molmil
Beta049 fab in complex with SARS-CoV2 beta-Spike glycoprotein, The Beta mAb response underscores the antigenic distance to other SARS-CoV-2 variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-49 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-07
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
6VG0
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BU of 6vg0 by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056
Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
Authors:Padyana, A, Jin, L.
Deposit date:2020-01-07
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6VEI
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BU of 6vei by Molmil
Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-01-02
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6VFZ
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BU of 6vfz by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor.
Descriptor: 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-01-07
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
7ZRC
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BU of 7zrc by Molmil
OMI-38 FAB IN COMPLEX WITH SARS-COV-2 BETA SPIKE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Omi-38 Fab Heavy Chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2022-05-04
Release date:2022-06-01
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZR9
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BU of 7zr9 by Molmil
OMI-2 FAB IN COMPLEX WITH SARS-COV-2 BETA 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, Omi-2 Fab heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2022-05-03
Release date:2022-06-01
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZR7
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BU of 7zr7 by Molmil
OMI-42 FAB IN COMPLEX WITH SARS-COV-2 BETA 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, Omi-42 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2022-05-03
Release date:2022-06-01
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022

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PDB entries from 2024-08-07

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