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2E01
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BU of 2e01 by Molmil
Crystal structure of H369A mutant of yeast bleomycin hydrolase
Descriptor: Cysteine proteinase 1
Authors:O'Farrell, P.A, Joshua-Tor, L.
Deposit date:2006-10-01
Release date:2007-08-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
7RAA
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BU of 7raa by Molmil
Designed StabIL-2 seq15
Descriptor: Interleukin-2, MAGNESIUM ION
Authors:Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C.
Deposit date:2021-06-30
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Interleukin-2 superkines by computational design.
Proc.Natl.Acad.Sci.USA, 119, 2022
8QBM
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BU of 8qbm by Molmil
Retron-Eco1 filament with ADP-ribosylated Effector (full map with 2 segments)
Descriptor: MAGNESIUM ION, Retron Ec86 putative ribosyltransferase/DNA-binding protein, Retron Ec86 reverse transcriptase, ...
Authors:Carabias del Rey, A, Montoya, G.
Deposit date:2023-08-24
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Retron-Eco1 assembles NAD + -hydrolyzing filaments that provide immunity against bacteriophages.
Mol.Cell, 84, 2024
8QBL
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BU of 8qbl by Molmil
Retron-Eco1 filament with inactive effector (E106A, 2 segments)
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retron Ec86 putative ribosyltransferase/DNA-binding protein, ...
Authors:Carabias del Rey, A, Montoya, G.
Deposit date:2023-08-24
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Retron-Eco1 assembles NAD + -hydrolyzing filaments that provide immunity against bacteriophages.
Mol.Cell, 84, 2024
8QBK
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BU of 8qbk by Molmil
Retron-Eco1 filament with ADP-ribosylated Effector (local map with 1 segment)
Descriptor: MAGNESIUM ION, Retron Ec86 putative ribosyltransferase/DNA-binding protein, Retron Ec86 reverse transcriptase, ...
Authors:Carabias del Rey, A, Montoya, G.
Deposit date:2023-08-24
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Retron-Eco1 assembles NAD + -hydrolyzing filaments that provide immunity against bacteriophages.
Mol.Cell, 84, 2024
7RA9
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BU of 7ra9 by Molmil
Designed StabIL-2 seq1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Interleukin-2, PHOSPHATE ION
Authors:Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C.
Deposit date:2021-06-30
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interleukin-2 superkines by computational design.
Proc.Natl.Acad.Sci.USA, 119, 2022
5NP0
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BU of 5np0 by Molmil
Closed dimer of human ATM (Ataxia telangiectasia mutated)
Descriptor: Serine-protein kinase ATM
Authors:Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L.
Deposit date:2017-04-13
Release date:2017-05-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
5NP1
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BU of 5np1 by Molmil
Open protomer of human ATM (Ataxia telangiectasia mutated)
Descriptor: Serine-protein kinase ATM
Authors:Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L.
Deposit date:2017-04-13
Release date:2017-05-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
8AS4
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BU of 8as4 by Molmil
Crystal structure of human beta-arrestin-1
Descriptor: Beta-arrestin-1
Authors:Jakob, R.P, Panwalkar, V, Grzesiek, S.
Deposit date:2022-08-18
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes.
Mol.Cell, 83, 2023
1BC7
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BU of 1bc7 by Molmil
SERUM RESPONSE FACTOR ACCESSORY PROTEIN 1A (SAP-1)/DNA COMPLEX
Descriptor: DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*AP*GP*GP*AP*TP*GP*TP*G)-3'), PROTEIN (ETS-DOMAIN PROTEIN)
Authors:Mo, Y, Vaessen, B, Johnston, K, Marmorstein, R.
Deposit date:1998-05-05
Release date:1999-01-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structures of SAP-1 bound to DNA targets from the E74 and c-fos promoters: insights into DNA sequence discrimination by Ets proteins.
Mol.Cell, 2, 1998
4X25
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BU of 4x25 by Molmil
Structural basis for mutation-induced destabilization of Profilin 1 in ALS
Descriptor: Profilin-1
Authors:Silvas, T.V, Shandilya, S.M.D, Schiffer, C.A.
Deposit date:2014-11-25
Release date:2015-06-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural basis for mutation-induced destabilization of profilin 1 in ALS.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
8SPS
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BU of 8sps by Molmil
High resolution structure of ESRRB nucleosome bound OCT4 at site a and site b
Descriptor: DNA (168-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
Authors:Lian, T, Guan, R, Bai, Y.
Deposit date:2023-05-03
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mechanism of LIN28B nucleosome targeting by OCT4.
Mol.Cell, 83, 2023
8SPU
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BU of 8spu by Molmil
Structure of ESRRB nucleosome bound OCT4 at site c
Descriptor: DNA (168-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
Authors:Lian, T, Guan, R, Bai, Y.
Deposit date:2023-05-03
Release date:2023-06-28
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural mechanism of LIN28B nucleosome targeting by OCT4.
Mol.Cell, 83, 2023
7C62
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BU of 7c62 by Molmil
The Crystal Structure of Parkinson disease protein 7 (DJ-1) from Biortus
Descriptor: GLYCEROL, Protein/nucleic acid deglycase DJ-1
Authors:Wang, F, Lin, D, Lv, Z, Tan, J.
Deposit date:2020-05-21
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.027 Å)
Cite:The Crystal Structure of Parkinson disease protein 7 (DJ-1) from Biortus.
To Be Published
6U80
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BU of 6u80 by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
8IYJ
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BU of 8iyj by Molmil
Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm
Descriptor: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
Authors:Zhou, L.N, Gui, M, Wu, J.P.
Deposit date:2023-04-05
Release date:2023-07-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility.
Cell, 186, 2023
2PSN
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BU of 2psn by Molmil
Crystal structure of enolase1
Descriptor: Alpha-enolase, MAGNESIUM ION, PHOSPHATE ION
Authors:Hyo, J.K, Seung, J.K, Sang, J.C.
Deposit date:2007-05-07
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Enolase1 alpha
To be Published
6UFX
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BU of 6ufx by Molmil
WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13)
Descriptor: N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W, Zhao, B.
Deposit date:2019-09-25
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
6UCS
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BU of 6ucs by Molmil
Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core
Descriptor: 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium, WD repeat-containing protein 5
Authors:Zhao, B.
Deposit date:2019-09-17
Release date:2020-01-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
6UIK
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BU of 6uik by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5
Authors:Zhao, B.
Deposit date:2019-10-01
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
7M4T
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BU of 7m4t by Molmil
Menin bound to M-1121
Descriptor: Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate
Authors:Stuckey, J.
Deposit date:2021-03-22
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
2EWA
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BU of 2ewa by Molmil
Dual binding mode of pyridinylimidazole to MAP kinase p38
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14
Authors:Delarbre, L, Pouzieux, S, Guilloteau, J.-P, Michot, N.
Deposit date:2005-11-02
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NMR characterization of kinase p38 dynamics in free and ligand-bound forms.
Angew.Chem.Int.Ed.Engl., 45, 2006
2E00
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BU of 2e00 by Molmil
Crystal structure of N392L mutant of yeast bleomycin hydrolase
Descriptor: Cysteine proteinase 1
Authors:O'Farrell, P.A, Joshua-Tor, L.
Deposit date:2006-10-01
Release date:2007-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
2R1T
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BU of 2r1t by Molmil
dopamine quinone conjugation to DJ-1
Descriptor: DJ-1
Authors:Zhongtao, Z, Yue, F.
Deposit date:2007-08-23
Release date:2008-08-26
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DJ-1 is a proisopeptidase
To be Published
1J5N
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BU of 1j5n by Molmil
Solution Structure of the Non-Sequence-Specific HMGB protein NHP6A in complex with SRY DNA
Descriptor: 5'-D(*CP*TP*GP*AP*AP*CP*AP*AP*TP*CP*AP*CP*CP*CP*C)-3', 5'-D(*GP*GP*GP*GP*TP*GP*AP*TP*TP*GP*TP*TP*CP*AP*G)-3', Nonhistone chromosomal protein 6A
Authors:Masse, J.E, Wong, B, Yen, Y.-M, Allain, F.H.-T, Johnson, R.C, Feigon, J.
Deposit date:2002-05-15
Release date:2002-10-16
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The S. cerevisiae architectural HMGB protein NHP6A complexed with DNA: DNA and protein conformational changes upon binding
J.Mol.Biol., 323, 2002

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