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4E44
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BU of 4e44 by Molmil
Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer
Descriptor: Centromere protein S, Centromere protein X
Authors:Fox III, D, Zhao, Y, Yang, W, Weidong, W.
Deposit date:2012-03-12
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
6L5L
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BU of 6l5l by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 at apo state
Descriptor: MAGNESIUM ION, Nucleolar RNA helicase 2
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
6B0F
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BU of 6b0f by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH LSZ102
Descriptor: Estrogen receptor, GLYCEROL, LSZ102
Authors:Kirby, C.A, Baird, J.
Deposit date:2017-09-14
Release date:2018-04-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer.
J. Med. Chem., 61, 2018
6L5N
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BU of 6l5n by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 at post-unwound state
Descriptor: MAGNESIUM ION, Nucleolar RNA helicase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.242 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
6L5O
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BU of 6l5o by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 at post-hydrolysis state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
4DAY
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BU of 4day by Molmil
Crystal structure of the RMI core complex with MM2 peptide from FANCM
Descriptor: Fanconi anemia group M protein, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2
Authors:Hoadley, K.A, Keck, J.L.
Deposit date:2012-01-13
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Defining the molecular interface that connects the Fanconi anemia protein FANCM to the Bloom syndrome dissolvasome.
Proc.Natl.Acad.Sci.USA, 109, 2012
6ARV
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BU of 6arv by Molmil
Crystal structure of CARM1 with Compound 2 and SAH
Descriptor: (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Boriack-Sjodin, P.A, Jin, L.
Deposit date:2017-08-23
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma.
Sci Rep, 7, 2017
5CES
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BU of 5ces by Molmil
C-terminal domain of the R-type pyocin baseplate protein PA0618
Descriptor: PA0618
Authors:Plattner, M, Buth, S.A, Shneider, M.M, Leiman, P.G.
Deposit date:2015-07-07
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
6MCV
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BU of 6mcv by Molmil
Crystal Structure of Holo Retinal-Bound Domain-Swapped Dimer of Wild Type Human Cellular Retinol Binding Protein II
Descriptor: RETINAL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-02
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
4E45
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BU of 4e45 by Molmil
Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM
Descriptor: Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ...
Authors:Fox III, D, Zhao, Y, Yang, W, Weidong, W.
Deposit date:2012-03-12
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
7WEU
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BU of 7weu by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-048
Descriptor: Peroxiredoxin-1, UNKNOWN LIGAND
Authors:Zhang, H, Luo, C.
Deposit date:2021-12-24
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
7WET
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BU of 7wet by Molmil
Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela
Descriptor: (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1
Authors:Zhang, H, Luo, C.
Deposit date:2021-12-24
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
6SNJ
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BU of 6snj by Molmil
Solution structure of the FUS/TLS RNA recognition motif in complex with U1 snRNA stem loop III
Descriptor: RNA-binding protein FUS, U1 snRNA stem loop III, RNA (28-MER)
Authors:Campagne, S, Allain, F.H.
Deposit date:2019-08-26
Release date:2020-10-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Aberrant interaction of FUS with the U1 snRNA provides a molecular mechanism of FUS induced amyotrophic lateral sclerosis.
Nat Commun, 11, 2020
3JVS
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BU of 3jvs by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
Descriptor: 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide, Serine/threonine-protein kinase Chk1
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
6BWG
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BU of 6bwg by Molmil
Crystal structure of native Rv2983 from Mycobacterium tuberculosis
Descriptor: 2-phospho-L-lactate guanylyltransferase
Authors:Bashiri, G, Jirgis, E.N.M, Baker, E.N.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A revised biosynthetic pathway for the cofactor F420in prokaryotes.
Nat Commun, 10, 2019
5FQ1
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BU of 5fq1 by Molmil
Structure of the cytoplasmic PAS domain of the Geobacillus thermodenitrificans histidine kinase CitA
Descriptor: GLYCEROL, HISTIDINE KINASE, PHOSPHATE ION
Authors:Schomburg, B, Giller, K, Becker, S.
Deposit date:2015-12-03
Release date:2017-01-11
Last modified:2017-03-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Cryogenic optical localization provides 3D protein structure data with Angstrom resolution.
Nat. Methods, 14, 2017
3JVR
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BU of 3jvr by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
Descriptor: (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
6MCU
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BU of 6mcu by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II
Descriptor: GLYCEROL, RETINAL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-02
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.572 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E51
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BU of 6e51 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51W mutant of human cellular retinol binding protein II
Descriptor: Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E50
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BU of 6e50 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51F mutant of human Cellular Retinol Binding Protein II
Descriptor: ACETATE ION, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-18
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.965 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6MKV
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BU of 6mkv by Molmil
Crystal structure of Retinal-bound holo Q108K:K40L:T51W domain-swapped dimer of human cellular retinol binding protein 2
Descriptor: ACETATE ION, GLYCEROL, RETINAL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-26
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.107 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
8RR2
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BU of 8rr2 by Molmil
3-keto-glycoside eliminase/hydratase in komplex with alpha-3-keto-glucose
Descriptor: (2~{R},3~{R},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-one, 1,2-ETHANEDIOL, 3-keto-disaccharide hydrolase domain-containing protein, ...
Authors:Pfeiffer, M, Kastner, K, Oberdorfer, G, Nidetzky, B.
Deposit date:2024-01-22
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Enzyme Machinery for Bacterial Glucoside Metabolism through a Conserved Non-hydrolytic Pathway.
Angew.Chem.Int.Ed.Engl., 2024
5V3B
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BU of 5v3b by Molmil
Human A20 OTU domain (WT) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
3L9M
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BU of 3l9m by Molmil
Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18
Descriptor: (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
4KTE
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BU of 4kte by Molmil
Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate
Descriptor: GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ...
Authors:Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T.
Deposit date:2013-05-20
Release date:2014-02-05
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014

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PDB entries from 2024-08-14

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