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4RUZ
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BU of 4ruz by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide
Descriptor: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
6UQV
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BU of 6uqv by Molmil
Crystal structure of ChoE, a bacterial acetylcholinesterase from Pseudomonas aeruginosa
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BUTANOIC ACID, CHLORIDE ION, ...
Authors:Shi, R, Pham, V.D, To, T.A.
Deposit date:2019-10-21
Release date:2020-05-13
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
8GE0
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BU of 8ge0 by Molmil
Crystal structure of JADE1 PZP domain in complex with Histone H3
Descriptor: Histone H3.1,Protein Jade-1, ZINC ION
Authors:Klein, B.J, Liu, J, Kutateladze, T.G.
Deposit date:2023-03-06
Release date:2024-03-13
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Guiding the HBO1 complex function through the JADE subunit.
Nat.Struct.Mol.Biol., 31, 2024
6ZIU
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BU of 6ziu by Molmil
bovine ATP synthase stator domain, state 3
Descriptor: ATP synthase F(0) complex subunit B1, mitochondrial, ATP synthase protein 8, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-06-26
Release date:2020-09-09
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (6.02 Å)
Cite:Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
4BZ6
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BU of 4bz6 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with SAHA
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, HISTONE DEACETYLASE 8, ...
Authors:Marek, M, Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
6ZX9
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BU of 6zx9 by Molmil
Crystal structure of SIV Vpr,fused to T4 lysozyme, isolated from moustached monkey, bound to human DDB1 and human DCAF1 (amino acid residues 1046-1396)
Descriptor: DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, GLYCEROL, ...
Authors:Schwefel, D, Banchenko, S.
Deposit date:2020-07-29
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.519729 Å)
Cite:Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses.
Plos Pathog., 17, 2021
6T7T
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BU of 6t7t by Molmil
Structure of yeast 80S ribosome stalled on poly(A) tract.
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R.
Deposit date:2019-10-23
Release date:2019-12-25
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts.
Embo J., 39, 2020
4BZ7
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BU of 4bz7 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, HISTONE DEACETYLASE 8, ...
Authors:Marek, M, Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
6ZZ4
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BU of 6zz4 by Molmil
Crystal structure of the PTPN2 C216G mutant
Descriptor: PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 2
Authors:Mechaly, A.E, Berthelet, J, Nian, Q, Parlato, M, Cerf-Bensussan, N, Haouz, A, Rodrigues-Lima, F.
Deposit date:2020-08-03
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural characterization of a pathogenic mutant of human protein tyrosine phosphatase PTPN2 (Cys216Gly) that causes very early onset autoimmune enteropathy.
Protein Sci., 31, 2022
2VIJ
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BU of 2vij by Molmil
Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide
Descriptor: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
Authors:Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
Deposit date:2007-12-04
Release date:2008-01-29
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
7A0H
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BU of 7a0h by Molmil
Structure of homodimeric actin capping protein alpha subunit from Plasmodium berghei
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, F-actin-capping protein subunit alpha, ...
Authors:Bendes, A.A, Kursula, P, Kursula, I.
Deposit date:2020-08-09
Release date:2021-08-18
Last modified:2022-02-23
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure and function of an atypical homodimeric actin capping protein from the malaria parasite.
Cell.Mol.Life Sci., 79, 2022
8GBE
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BU of 8gbe by Molmil
Structure of a viral gasdermin protein A47 from Eptesipox virus
Descriptor: Protein A47
Authors:Johnson, A.G, Kranzusch, P.J.
Deposit date:2023-02-25
Release date:2023-03-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural homology screens reveal poxvirus-encoded proteins impacting inflammasome-mediated defenses.
Biorxiv, 2023
4RUY
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BU of 4ruy by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide
Descriptor: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
8HCI
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BU of 8hci by Molmil
Crystal structure of a holoenzyme Fe-free TglHI for Pseudomonas syringae Peptidyl (S) 2-mercaptoglycine biosynthesis
Descriptor: DUF692 family protein, RiPP Recognition protein
Authors:Cheng, W, Zheng, Y.H, Fu, X.L.
Deposit date:2022-11-01
Release date:2023-08-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.399 Å)
Cite:Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis.
Structure, 31, 2023
8HI8
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BU of 8hi8 by Molmil
Crystal structure of a holoenzyme TglHI with three Fe ions for Pseudomonas syringae Peptidyl (S) 2-mercaptoglycine biosynthesis
Descriptor: DUF692 family protein, FE (III) ION, RiPP Recognition Protein
Authors:Cheng, W, Zheng, Y.H, Fu, X.L.
Deposit date:2022-11-18
Release date:2023-08-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis.
Structure, 31, 2023
3BQU
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BU of 3bqu by Molmil
Crystal Structure of the 2F5 Fab'-3H6 Fab Complex
Descriptor: 2F5 Fab' heavy chain, 2F5 Fab' light chain, 3H6 Fab heavy chain, ...
Authors:Bryson, S, Julien, J.-P, Isenman, D.E, Kunert, R, Katinger, H, Pai, E.F.
Deposit date:2007-12-20
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the complex between the F(ab)' fragment of the cross-neutralizing anti-HIV-1 antibody 2F5 and the F(ab) fragment of its anti-idiotypic antibody 3H6.
J.Mol.Biol., 382, 2008
8H2D
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BU of 8h2d by Molmil
The hypothetical protein from Mycobacterium tuberculosis mutant - E47A
Descriptor: Uncharacterized protein Rv1546
Authors:Kim, D.H, Na, Y, Lee, B.J.
Deposit date:2022-10-05
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Domain swapping of the C-terminal helix promotes the dimerization of a novel ribonuclease protein from Mycobacterium tuberculosis.
Protein Sci., 32, 2023
8HI7
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BU of 8hi7 by Molmil
Crystal structure of a holoenzyme TglHI with two Fe irons for Pseudomonas syringae Peptidyl (S) 2-mercaptoglycine biosynthesis
Descriptor: DUF692 family protein, FE (III) ION, RiPP Recognition protein
Authors:Cheng, W, Zheng, Y.H, Fu, X.L.
Deposit date:2022-11-18
Release date:2023-08-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis.
Structure, 31, 2023
1KBA
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BU of 1kba by Molmil
CRYSTAL STRUCTURE OF KAPPA-BUNGAROTOXIN AT 2.3-ANGSTROM RESOLUTION
Descriptor: KAPPA-BUNGAROTOXIN
Authors:Dewan, J.C, Grant, G.A, Sacchettini, J.C.
Deposit date:1994-07-13
Release date:1994-12-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of kappa-bungarotoxin at 2.3-A resolution.
Biochemistry, 33, 1994
3BUZ
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BU of 3buz by Molmil
Crystal structure of ia-bTAD-actin complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Tsuge, H, Nagahama, M, Oda, M, Iwamoto, S, Utsunomiya, H, Marquez, V.E, Katunuma, N, Nishizawa, M, Sakurai, J.
Deposit date:2008-01-04
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis of actin recognition and arginine ADP-ribosylation by Clostridium perfringens iota-toxin
Proc.Natl.Acad.Sci.Usa, 105, 2008
8H0H
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BU of 8h0h by Molmil
Hypotethical protein from Mycobacterium tuberculsosis
Descriptor: Uncharacterized protein Rv1546
Authors:Kim, D.H, Na, Y, Lee, B.J.
Deposit date:2022-09-29
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Domain swapping of the C-terminal helix promotes the dimerization of a novel ribonuclease protein from Mycobacterium tuberculosis.
Protein Sci., 32, 2023
3C2K
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BU of 3c2k by Molmil
DNA POLYMERASE BETA with a gapped DNA substrate and DUMPNPP with Manganese in the active site
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DAP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), ...
Authors:Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H.
Deposit date:2008-01-25
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation.
Mol.Cell, 30, 2008
8GXN
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BU of 8gxn by Molmil
The crystal structure of CsFAOMT2 in complex with SAH
Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, caffeyl-CoA-O-methyltransferase
Authors:Zhang, Z.M, Zhou, Y.E, Huang, H.S.
Deposit date:2022-09-20
Release date:2023-09-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Characterization of two O-methyltransferases involved in the biosynthesis of O-methylated catechins in tea plant.
Nat Commun, 14, 2023
3SC2
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BU of 3sc2 by Molmil
REFINED ATOMIC MODEL OF WHEAT SERINE CARBOXYPEPTIDASE II AT 2.2-ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SERINE CARBOXYPEPTIDASE II (CPDW-II), alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Liao, D.-I, Remington, S.J.
Deposit date:1992-07-01
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined atomic model of wheat serine carboxypeptidase II at 2.2-A resolution.
Biochemistry, 31, 1992

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