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5LD8
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BU of 5ld8 by Molmil
GSK3011724A cocrystallised with Mycobacterium tuberculosis H37Rv KasA
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Chung, C.W, Neu, M.
Deposit date:2016-06-23
Release date:2016-09-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Identification of KasA as the cellular target of an anti-tubercular scaffold.
Nat Commun, 7, 2016
8JAV
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BU of 8jav by Molmil
Structure of CRL2APPBP2 bound with the C-degron of MRPL28 (tetramer)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-07
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
6ZL4
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BU of 6zl4 by Molmil
the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (cis)
Descriptor: (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Arkhipova, V, Slotboom, D.J, Guskov, A.
Deposit date:2020-06-30
Release date:2021-01-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
5LZ7
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BU of 5lz7 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Descriptor: 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
Authors:Woolford, A, Day, P.
Deposit date:2016-09-29
Release date:2016-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
6LJN
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BU of 6ljn by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-HIS-PHE-SER-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
7TTC
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BU of 7ttc by Molmil
BamABCDE bound to substrate EspP
Descriptor: 2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D.
Deposit date:2022-02-01
Release date:2022-03-30
Last modified:2022-04-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
6S1I
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BU of 6s1i by Molmil
Crystal Structure of DYRK1A with small molecule inhibitor
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M.
Deposit date:2019-06-18
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Mining Public Domain Data to Develop Selective DYRK1A Inhibitors.
Acs Med.Chem.Lett., 11, 2020
5JAN
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BU of 5jan by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
6L0J
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BU of 6l0j by Molmil
Crystal structure of Dihydroorotase in complex with malate at pH7.5 from Saccharomyces cerevisiae
Descriptor: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2019-09-26
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:Structural Analysis of Saccharomyces cerevisiae Dihydroorotase Reveals Molecular Insights into the Tetramerization Mechanism
Molecules, 2021
8AUC
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BU of 8auc by Molmil
Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form
Descriptor: Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II)
Authors:Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P.
Deposit date:2022-08-25
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales.
Proc.Natl.Acad.Sci.USA, 119, 2022
6KXK
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BU of 6kxk by Molmil
BON1
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, Q.C, Jiang, M.Q, Isupov, M.N, Sun, L.F, Wu, Y.K.
Deposit date:2019-09-12
Release date:2020-09-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of an Arabidopsis Copine providing insights into this protein family
To be published
5J4O
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BU of 5j4o by Molmil
Structure of human erythrocytic Spectrin alpha chain repeats 16-17
Descriptor: 1,2-ETHANEDIOL, Spectrin alpha chain, erythrocytic 1, ...
Authors:Cutts, E.E, Vakonakis, I.
Deposit date:2016-04-01
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Interactions of Plasmodium falciparum KAHRP and PfEMP1 with the host cytoskeleton suggest a model for cytoadherent protrusions on the infected erythrocyte surface
To Be Published
8IWW
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BU of 8iww by Molmil
hSPCA1 in the CaE1P-ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calcium-transporting ATPase type 2C member 1, ...
Authors:Liu, Z.M, Wu, M.Q, Wu, C.
Deposit date:2023-03-31
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWU
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BU of 8iwu by Molmil
hSPCA1 in the E2~P state
Descriptor: Calcium-transporting ATPase type 2C member 1, MAGNESIUM ION, TETRAFLUOROALUMINATE ION
Authors:Liu, Z.M, Wu, M.Q, Wu, C.
Deposit date:2023-03-31
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
6HXA
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BU of 6hxa by Molmil
AntI from P. luminescens catalyses terminal polyketide shortening in the biosynthesis of anthraquinones
Descriptor: AntI, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Zhou, Q, Braeuer, A, Grammbitter, G, Schmalhofer, M, Saura, P, Adihou, H, Kaila, V.R.I, Groll, M, Bode, H.
Deposit date:2018-10-16
Release date:2019-08-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular mechanism of polyketide shortening in anthraquinone biosynthesis ofPhotorhabdus luminescens.
Chem Sci, 10, 2019
5M6Q
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BU of 5m6q by Molmil
Crystal Structure of Kutzneria albida transglutaminase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
Authors:Steffen, W, Benz, J, Rudolph, M.G.
Deposit date:2016-10-25
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins.
J. Biol. Chem., 292, 2017
5M70
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BU of 5m70 by Molmil
Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2016-10-26
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
8PWS
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BU of 8pws by Molmil
Dye-decolourising peroxidase DtpB (56 kGy)
Descriptor: MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lucic, M, Worrall, J.A.R, Hough, M.A, Owen, R.L, Strange, R.W.
Deposit date:2023-07-21
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dye-decolourising peroxidase DtpB (56 kGy)
To Be Published
5M8X
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BU of 5m8x by Molmil
PCE reductive dehalogenase from S. multivorans in complex with 2,4,5-trichlorophenol
Descriptor: 2,4,5-trichlorophenol, BENZAMIDINE, GLYCEROL, ...
Authors:Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G.
Deposit date:2016-10-30
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.869 Å)
Cite:Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
5MAA
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BU of 5maa by Molmil
PCE reductive dehalogenase from S. multivorans in complex with 3-bromophenol
Descriptor: 3-bromophenol, 5-Methoxybenzimidazolyl-norcobamide, BENZAMIDINE, ...
Authors:Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G.
Deposit date:2016-11-03
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.686 Å)
Cite:Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
8PNO
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BU of 8pno by Molmil
The MgF3(H2O) transition state analog complex of E. coli YihX
Descriptor: 1,2-ETHANEDIOL, Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, ...
Authors:Baumann, P, Zappala, D, Jin, Y.
Deposit date:2023-06-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The MgF3(H2O)- transition state analog complex of E. coli YihX
To Be Published
8AWZ
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BU of 8awz by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with dinitrosyl glutathionyl iron complex (DNGIC)
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Schwartz, M, Didierjean, C.
Deposit date:2022-08-30
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
5M8U
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BU of 5m8u by Molmil
PCE reductive dehalogenase from S. multivorans in complex with 4-bromophenol
Descriptor: 4-BROMOPHENOL, BENZAMIDINE, GLYCEROL, ...
Authors:Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G.
Deposit date:2016-10-30
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
8AUM
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BU of 8aum by Molmil
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
5JE2
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BU of 5je2 by Molmil
Crystal structure of Burkholderia glumae ToxA Y7F mutant with bound S-adenosylhomocysteine (SAH)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Methyl transferase, ...
Authors:Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
Deposit date:2016-04-17
Release date:2016-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.519 Å)
Cite:Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016

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PDB entries from 2024-10-16

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