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6G1L
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BU of 6g1l by Molmil
MITF/CLEARbox structure
Descriptor: CLEAR-box, Microphthalmia-associated transcription factor
Authors:Pogenberg, V, Wilmanns, M.
Deposit date:2018-03-21
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:MITF has a central role in regulating starvation-induced autophagy in melanoma.
Sci Rep, 9, 2019
5VZY
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BU of 5vzy by Molmil
Crystal structure of crenezumab Fab in complex with Abeta
Descriptor: Amyloid beta A4 protein, Crenezumab Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Crenezumab Fab light chain,Immunoblobulin light chain
Authors:Ultsch, M, Wang, W.
Deposit date:2017-05-29
Release date:2017-08-09
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
6QJI
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BU of 6qji by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein: space group P3112
Descriptor: Disks large homolog 4, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2019-01-24
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95.
Acta Crystallogr D Struct Biol, 75, 2019
6FTN
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BU of 6ftn by Molmil
mPI3Kd IN COMPLEX WITH AZ2
Descriptor: Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
Authors:Petersen, J.
Deposit date:2018-02-22
Release date:2018-06-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors.
J. Med. Chem., 61, 2018
8SHU
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BU of 8shu by Molmil
Structure of mouse cGAS
Descriptor: Cyclic GMP-AMP synthase, ZINC ION
Authors:Wu, S, Sohn, J.
Deposit date:2023-04-14
Release date:2024-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
5HJH
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BU of 5hjh by Molmil
Dps4 from Nostoc punctiforme in complex with Fe ions
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FE (III) ION, Ferritin, ...
Authors:Howe, C, Moparthi, V.K, Persson, K, Stensjo, K.
Deposit date:2016-01-13
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Dps4 from Nostoc punctiforme in complex with Fe ions
To Be Published
5H9C
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BU of 5h9c by Molmil
Crystal structure of the ASLV fusion protein core
Descriptor: CHLORIDE ION, Envelope glycoprotein gp95
Authors:Aydin, H, Lee, J.E.
Deposit date:2015-12-28
Release date:2016-01-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Structural characterization of a fusion glycoprotein from a retrovirus that undergoes a hybrid 2-step entry mechanism.
Faseb J., 27, 2013
8RP5
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BU of 8rp5 by Molmil
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (E241A mutant)
Descriptor: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, TRIETHYLENE GLYCOL
Authors:Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
Deposit date:2024-01-12
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
6FUD
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BU of 6fud by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikA with the HMA domain of Pikm-1 from rice (Oryza sativa)
Descriptor: AVR-Pik protein, NBS-LRR class disease resistance protein
Authors:Franceschetti, M, De la Concepcion, J.C, Banfield, M.J.
Deposit date:2018-02-26
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Polymorphic residues in rice NLRs expand binding and response to effectors of the blast pathogen.
Nat Plants, 4, 2018
7QCE
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BU of 7qce by Molmil
Crystal structure of an atypical PHD finger of VIN3
Descriptor: DI(HYDROXYETHYL)ETHER, VIN3 (Protein VERNALIZATION INSENSITIVE 3), ZINC ION
Authors:Franco-Echevarria, E, Fiedler, M, Dean, C, Bienz, M.
Deposit date:2021-11-23
Release date:2022-11-16
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Plant vernalization proteins contain unusual PHD superdomains without histone H3 binding activity.
J.Biol.Chem., 298, 2022
6HM1
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BU of 6hm1 by Molmil
Structural and thermodynamic signatures of ligand binding to an enigmatic chitinase-D from Serratia proteamaculans
Descriptor: 1,2-ETHANEDIOL, ALLOSAMIDIN, Glycoside hydrolase family 18
Authors:Madhuprakash, J, Dalhus, B, Vaaje-Kolstad, G, Eijsink, V.G.H, Sorlie, M.
Deposit date:2018-09-11
Release date:2019-03-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural and Thermodynamic Signatures of Ligand Binding to the Enigmatic Chitinase D of Serratia proteamaculans.
J.Phys.Chem.B, 123, 2019
6HM5
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BU of 6hm5 by Molmil
Crystal structure of TOPBP1 BRCT0,1,2 in complex with a RAD9 phosphopeptide
Descriptor: Cell cycle checkpoint control protein RAD9A, DNA topoisomerase II binding protein 1
Authors:Day, M, Rappas, M, Oliver, A.W, Pearl, L.H.
Deposit date:2018-09-12
Release date:2018-10-17
Method:X-RAY DIFFRACTION (2.330038 Å)
Cite:BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
6Z7M
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BU of 6z7m by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
Descriptor: (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2020-05-31
Release date:2020-07-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 63, 2020
6HMH
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BU of 6hmh by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) and alpha-1,2-mannobiose
Descriptor: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
Deposit date:2018-09-12
Release date:2018-09-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
6FUP
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BU of 6fup by Molmil
F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Rizkallah, P.J, Cole, D.K.
Deposit date:2018-02-27
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018
5HAF
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BU of 5haf by Molmil
Structure of Salmonella enterica effector protein SseL
Descriptor: Deubiquitinase SseL, POTASSIUM ION
Authors:Pruneda, J.N, Komander, D.
Deposit date:2015-12-30
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
7QEE
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BU of 7qee by Molmil
SN243 mutant D415N bound to para-nitrophenyl-Beta-D-glucuronide
Descriptor: 4-nitrophenyl beta-D-glucopyranosiduronic acid, SN243, SULFATE ION, ...
Authors:Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
Deposit date:2021-12-02
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.374 Å)
Cite:Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
6HNM
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BU of 6hnm by Molmil
Crystal structure of IdmH 96-104 loop truncation variant
Descriptor: putative polyketide cyclase IdmH
Authors:Drulyte, I, Obajdin, J, Trinh, C, Hemsworth, G.R, Berry, A.
Deposit date:2018-09-16
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the putative cyclase IdmH from the indanomycin nonribosomal peptide synthase/polyketide synthase.
Iucrj, 6, 2019
6FV9
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BU of 6fv9 by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-007
Descriptor: 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, GLYCEROL, MAGNESIUM ION, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-03-01
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:TbrPDEB1 structure with inhibitor NPD-007
To be published
6Z82
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BU of 6z82 by Molmil
Thalictrum flavumn Norcoclaurine synthase point mutant in complex with a transition state analoge
Descriptor: 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase
Authors:Roddan, R, Sula, A, Keep, N.H.
Deposit date:2020-06-02
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Single step syntheses of (1S)-aryl-tetrahydroisoquinolines by norcoclaurine synthases
Commun Chem, 2020
6B8Y
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BU of 6b8y by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Descriptor: N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2017-10-09
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Heterobicyclic inhibitors of transforming growth factor beta receptor I (TGF beta RI).
Bioorg. Med. Chem., 26, 2018
8SDI
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BU of 8sdi by Molmil
Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM45 Coiled-Coil Domain
Descriptor: Tripartite motif-containing protein 45
Authors:Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
Deposit date:2023-04-06
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM45 Coiled-Coil Domain
To Be Published
7LJP
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BU of 7ljp by Molmil
Structure of Thermotoga maritima SmpB
Descriptor: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, SULFATE ION, ...
Authors:Chan, C.W, Mondragon, A.
Deposit date:2021-01-29
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Thermotoga maritima SmpB reveals its C-terminal tail domain in a helical conformation mimicking that of a ribosome-bound state
To Be Published
8AOL
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BU of 8aol by Molmil
Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain III (aa 363-499)
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sagmeister, T, Damisch, E, Eder, M, Dordic, A, Vejzovic, D, Pavkov-Keller, T.
Deposit date:2022-08-08
Release date:2023-08-23
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
6Z83
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BU of 6z83 by Molmil
CK2 alpha bound to chemical probe SGC-CK2-1
Descriptor: Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-06-02
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:Development of a potent and selective chemical probe for the pleiotropic kinase CK2.
Cell Chem Biol, 28, 2021

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PDB entries from 2024-08-28

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