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7OWC
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BU of 7owc by Molmil
Structure of CYLD CAP-Gly3 (467-565) bound to Ub; orthorhobic space group
Descriptor: Deubiquitinating enzyme CYLD, Ubiquitin-60S ribosomal protein L40
Authors:Elliott, P.R, Komander, D.
Deposit date:2021-06-17
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Regulation of CYLD activity and specificity by phosphorylation and ubiquitin-binding CAP-Gly domains.
Cell Rep, 37, 2021
7OK9
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BU of 7ok9 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with pentaglycine
Descriptor: CADMIUM ION, CHLORIDE ION, Penicillin-binding protein 1, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-05-17
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
5WJQ
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BU of 5wjq by Molmil
mouseZFP568-ZnF2-11 in complex with DNA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (28-MER), ZINC ION, ...
Authors:Patel, A, Cheng, X.
Deposit date:2017-07-24
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins.
Cell, 173, 2018
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
Descriptor: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
7WOS
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BU of 7wos by Molmil
The state 3 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOQ
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BU of 7woq by Molmil
The state 1 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
4RZ2
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BU of 4rz2 by Molmil
Crystal structure of the MinD-like ATPase FlhG
Descriptor: Site-determining protein
Authors:Schuhmacher, J.S, Bange, G.
Deposit date:2014-12-18
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:MinD-like ATPase FlhG effects location and number of bacterial flagella during C-ring assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
5YQZ
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BU of 5yqz by Molmil
Structure of the glucagon receptor in complex with a glucagon analogue
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ...
Authors:Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B.
Deposit date:2017-11-08
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the glucagon receptor in complex with a glucagon analogue.
Nature, 553, 2018
5YI7
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BU of 5yi7 by Molmil
Crystal structure of drosophila Numb PTB domain and Pon peptide complex
Descriptor: GLYCEROL, Pon peptide from Partner of numb, Protein numb
Authors:Shan, Z, Wen, W.
Deposit date:2017-10-03
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Basal condensation of Numb and Pon complex via phase transition during Drosophila neuroblast asymmetric division.
Nat Commun, 9, 2018
1R10
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BU of 1r10 by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP, I4122 space group
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
4RZ3
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BU of 4rz3 by Molmil
Crystal structure of the MinD-like ATPase FlhG
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Site-determining protein
Authors:Schuhmacher, J.S, Bange, G.
Deposit date:2014-12-18
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MinD-like ATPase FlhG effects location and number of bacterial flagella during C-ring assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
1R0Y
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BU of 1r0y by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ADP
Descriptor: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0X
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BU of 1r0x by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0W
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BU of 1r0w by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) apo
Descriptor: ACETIC ACID, Cystic fibrosis transmembrane conductance regulator
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
5LOF
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BU of 5lof by Molmil
Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O.
Deposit date:2016-08-09
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
6O8T
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BU of 6o8t by Molmil
Syn-safencin 96
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-04-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6XLO
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BU of 6xlo by Molmil
Crystal structure of bRaf in complex with inhibitor
Descriptor: 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf
Authors:Yin, J, Eigenbrot, C, Wang, W.
Deposit date:2020-06-28
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
7MDP
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BU of 7mdp by Molmil
KRas G12C in complex with G-2897
Descriptor: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ...
Authors:Oh, A, Frank, Y, Wang, W.
Deposit date:2021-04-05
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
6O8S
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BU of 6o8s by Molmil
Syn-safencin 56
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8R
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BU of 6o8r by Molmil
Syn-safencin 24
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8J
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BU of 6o8j by Molmil
Syn-safencin
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-04-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8P
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BU of 6o8p by Molmil
Syn-safencin 8
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
1Q3H
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BU of 1q3h by Molmil
mouse CFTR NBD1 with AMP.PNP
Descriptor: ACETIC ACID, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-07-29
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
Descriptor: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
7WOU
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BU of 7wou by Molmil
The state 4 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022

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