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8E26
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BU of 8e26 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease N142S mutant in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Noske, G.D, Godoy, A.S, Oliva, G.
Deposit date:2022-08-14
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8EF4
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BU of 8ef4 by Molmil
Solution structural bundle of bivalirudin - a bivalent hirudin based thrombin inhibitor
Descriptor: Bivalirudin
Authors:Mishra, S.H, Bhavaraju, S.
Deposit date:2022-09-08
Release date:2022-10-05
Method:SOLUTION NMR
Cite:Solution structural bundle of bivalirudin - a bivalent hirudin based thrombin inhibitor
To Be Published
5V5T
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BU of 5v5t by Molmil
Crystal structure of leucine-rich protein regulator, ElrR, from Enterococcus faecalis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Conserved domain protein
Authors:De Groote, M.C.R, Camargo, I.L, Serror, P, Horjales, E.
Deposit date:2017-03-15
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure and functional characterization of ElrR, a member of the RRNPP family of transcriptional regulators.
To be published
8EC6
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BU of 8ec6 by Molmil
Cryo-EM structure of the Glutaminase C core filament (fGAC)
Descriptor: Isoform 2 of Glutaminase kidney isoform, mitochondrial, PHOSPHATE ION
Authors:Ambrosio, A.L, Dias, S.M, Quesnay, J.E, Portugal, R.V, Cassago, A, van Heel, M.G, Islam, Z, Rodrigues, C.T.
Deposit date:2022-09-01
Release date:2023-09-20
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of glutaminase activation through filamentation and the role of filaments in mitophagy protection.
Nat.Struct.Mol.Biol., 30, 2023
8EYJ
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BU of 8eyj by Molmil
Crystal Structure of uncleaved SARS-CoV-2 Main Protease C145S mutant in complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Noske, G.D, Godoy, A.S, Oliva, G.
Deposit date:2022-10-27
Release date:2022-11-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.738 Å)
Cite:An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition.
Nat Commun, 14, 2023
5WFI
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BU of 5wfi by Molmil
X-ray structure of MHV PLP2 (Cys1716Ser) catalytic mutant in complex with free ubiquitin
Descriptor: FORMIC ACID, GLYCEROL, Ubiquitin, ...
Authors:Mesecar, A.D, Chen, Y.
Deposit date:2017-07-12
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:X-ray structure of MHV PLP2 (Cys1716Ser) catalytic mutant in complex with free ubiquitin
To Be Published
5V5U
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BU of 5v5u by Molmil
Crystal structure of leucine-rich protein regulator, ElrR, from Enterococcus faecalis
Descriptor: Conserved domain protein
Authors:De Groote, M.C.R, Camargo, I.L, Serror, P, Horjales, E.
Deposit date:2017-03-15
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Crystal structure of leucine-rich protein regulator, ElrR, from Enterococcus faecalis
To be published
8SCC
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BU of 8scc by Molmil
Crystal Structure of L-galactose 1-dehydrogenase de Myrciaria dubia
Descriptor: L-galactose dehydrogenase
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2023-04-05
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
3LMN
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BU of 3lmn by Molmil
Oligomeric structure of the DUSP domain of human USP15
Descriptor: ACETIC ACID, FORMIC ACID, Ubiquitin carboxyl-terminal hydrolase 15
Authors:Walker, J.R, Asinas, A, Avvakumov, G.V, Alenkin, D, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S.
Deposit date:2010-01-31
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the Human Ubiquitin-Specific Protease 15 DUSP Domain
To be Published
8SJJ
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BU of 8sjj by Molmil
X-ray structure of the metastable SEPT14-SEPT7 heterodimeric coiled coil
Descriptor: DI(HYDROXYETHYL)ETHER, SODIUM ION, Septin 7, ...
Authors:Cavini, I.A, Pereira, H.M, Garratt, R.C.
Deposit date:2023-04-18
Release date:2023-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:X-ray structure of the metastable SEPT14-SEPT7 coiled coil reveals a hendecad region crucial for heterodimerization.
Acta Crystallogr D Struct Biol, 79, 2023
8SG0
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BU of 8sg0 by Molmil
Crystal Structure of GDP-manose 3,5 epimerase de Myrciaria dubia in complex with substrate, product and NAD
Descriptor: GDP-mannose 3,5-epimerase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE, ...
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2023-04-11
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
8SKB
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BU of 8skb by Molmil
Crystal Structure of GDP-mannose 3,5 epimerase de Myrciaria dubia in complex with NAD
Descriptor: GDP-mannose 3,5 epimerase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2023-04-19
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
8UM3
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BU of 8um3 by Molmil
PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ...
Authors:Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-10-17
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
To Be Published
8U4A
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BU of 8u4a by Molmil
Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 in Complex with Cellotriose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Araujo, E.A, Polikarpov, I.
Deposit date:2023-09-10
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9.
Carbohydr Polym, 329, 2024
8U4F
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BU of 8u4f by Molmil
Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 in Complex with Cellohexaose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Araujo, E.A, Polikarpov, I.
Deposit date:2023-09-10
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9.
Carbohydr Polym, 329, 2024
8U49
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BU of 8u49 by Molmil
The Apo Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Araujo, E.A, Polikarpov, I.
Deposit date:2023-09-10
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9.
Carbohydr Polym, 329, 2024
8USU
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BU of 8usu by Molmil
Crystal Structure of L-galactose 1-dehydrogenase of Myrciaria dubia in complex with NAD
Descriptor: L-galactose dehydrogenase isoform X1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2023-10-30
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
3OLQ
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BU of 3olq by Molmil
The crystal structure of a universal stress protein E from Proteus mirabilis HI4320
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Tan, K, Chhor, G, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-26
Release date:2010-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:The crystal structure of a universal stress protein E from Proteus mirabilis HI4320
To be Published
8SGD
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BU of 8sgd by Molmil
Crystal Structure of CDC3(G) - CDC10(Delta 1-10) heterocomplex from Saccharomyces cerevisiae
Descriptor: CDC10 isoform 1, CDC3 isoform 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Saladino, G.C.R, Leonardo, D.A, Pereira, H.M, Garratt, R.C.
Deposit date:2023-04-12
Release date:2023-06-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:A key piece of the puzzle: The central tetramer of the Saccharomyces cerevisiae septin protofilament and its implications for self-assembly.
J.Struct.Biol., 215, 2023
5LJM
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BU of 5ljm by Molmil
Structure of SPATA2 PUB domain
Descriptor: GLYCEROL, Spermatogenesis-associated protein 2
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
5LJN
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BU of 5ljn by Molmil
Structure of the HOIP PUB domain bound to SPATA2 PIM peptide
Descriptor: E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ...
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
6KCZ
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BU of 6kcz by Molmil
Solution structure of the ZnF-UBP domain of USP20/VDU2
Descriptor: Ubiquitin carboxyl-terminal hydrolase 20, ZINC ION
Authors:Yang, Y, Wen, Y, Zhang, N.
Deposit date:2019-06-30
Release date:2019-07-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and functional studies of USP20 ZnF-UBP domain by NMR.
Protein Sci., 28, 2019
6KHV
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BU of 6khv by Molmil
Solution Structure of the CS2 Domain of USP19
Descriptor: Ubiquitin carboxyl-terminal hydrolase 19
Authors:Xue, W, Hu, H.Y.
Deposit date:2019-07-16
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Domain interactions reveal auto-inhibition of the deubiquitinating enzyme USP19 and its activation by HSP90 in the modulation of huntingtin aggregation.
Biochem.J., 477, 2020
6K7W
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BU of 6k7w by Molmil
Solution Structure of the CS1 Domain of USP19
Descriptor: Ubiquitin carboxyl-terminal hydrolase 19
Authors:Xue, W, Hu, H.Y.
Deposit date:2019-06-10
Release date:2020-06-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Domain interactions reveal auto-inhibition of the deubiquitinating enzyme USP19 and its activation by HSP90 in the modulation of huntingtin aggregation.
Biochem.J., 477, 2020

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PDB entries from 2024-06-12

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