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PDB: 42254 results

6SNV
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BU of 6snv by Molmil
DNA mismatch repair proteins MLH1 and MLH3
Descriptor: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
Authors:Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
Deposit date:2019-08-27
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
2BNH
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BU of 2bnh by Molmil
PORCINE RIBONUCLEASE INHIBITOR
Descriptor: RIBONUCLEASE INHIBITOR
Authors:Kobe, B, Deisenhofer, J.
Deposit date:1996-06-29
Release date:1997-03-12
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of ribonuclease inhibition by ribonuclease inhibitor protein based on the crystal structure of its complex with ribonuclease A.
J.Mol.Biol., 264, 1996
6N4O
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BU of 6n4o by Molmil
Human Argonaute2-miR-122 bound to a seed and supplementary paired target
Descriptor: Protein argonaute-2, RNA (5'-R(*CP*CP*AP*UP*UP*GP*UP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-11-19
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Beyond the seed: structural basis for supplementary microRNA targeting by human Argonaute2.
Embo J., 38, 2019
7NS5
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BU of 7ns5 by Molmil
Structure of yeast Fbp1 (Fructose-1,6-bisphosphatase 1)
Descriptor: Fructose-1,6-bisphosphatase, MAGNESIUM ION, PHOSPHATE ION
Authors:Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
7NSC
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BU of 7nsc by Molmil
Substrate receptor scaffolding module of human CTLH E3 ubiquitin ligase
Descriptor: Glucose-induced degradation protein 4 homolog, Glucose-induced degradation protein 8 homolog, Isoform 2 of Armadillo repeat-containing protein 8, ...
Authors:Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
1RGG
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BU of 1rgg by Molmil
HYDROLASE, GUANYLORIBONUCLEASE
Descriptor: RIBONUCLEASE, SULFATE ION
Authors:Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S.
Deposit date:1995-06-05
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
6PA5
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BU of 6pa5 by Molmil
ECAII(T89V,K162T) MUTANT IN COMPLEX WITH L-ASN AT PH 8.3 IN SPACE GROUP P2(1)
Descriptor: ASPARAGINE, GLYCEROL, IMIDAZOLE, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
7NS4
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BU of 7ns4 by Molmil
Catalytic module of yeast Chelator-GID SR4 E3 ubiquitin ligase
Descriptor: E3 ubiquitin-protein ligase RMD5, Protein FYV10, ZINC ION
Authors:Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
6T2E
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BU of 6t2e by Molmil
Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
Descriptor: E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm
Authors:Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
Deposit date:2019-10-08
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6T2F
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BU of 6t2f by Molmil
Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
Descriptor: 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, E3 ubiquitin-protein ligase Mdm2, MDM2 in complex with GAR300-Am
Authors:Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
Deposit date:2019-10-08
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
8IFF
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BU of 8iff by Molmil
Cryo-EM structure of Arabidopsis phytochrome A.
Descriptor: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A
Authors:Ma, L, Zhou, C, Wang, J, Guan, Z, Yin, P.
Deposit date:2023-02-17
Release date:2023-08-02
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Plant phytochrome A in the Pr state assembles as an asymmetric dimer.
Cell Res., 33, 2023
6PA9
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BU of 6pa9 by Molmil
E. coli L-asparaginase II mutant (T12V) in complex with L-Asn at pH 7.0
Descriptor: ASPARAGINE, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
2W5U
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BU of 2w5u by Molmil
Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin, [2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
Authors:Cremades, N, Perez-Dorado, I, Hermoso, J.A, Martinez-Julvez, M, Sancho, J.
Deposit date:2008-12-12
Release date:2009-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of Specific Flavodoxin Inhibitors as Potential Therapeutic Agents Against Helicobacter Pylori Infection.
Acs Chem.Biol., 4, 2009
2CCV
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BU of 2ccv by Molmil
Structure of Helix Pomatia agglutinin with zinc and N-acetyl-alpha-D- galactoseamine (GalNAc)
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Sanchez, J.-F, Lescar, J, Chazalet, V, Audfray, A, Gautier, C, Gagnon, J, Breton, C, Imberty, A, Mitchell, E.P.
Deposit date:2006-01-18
Release date:2006-05-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Biochemical and Structural Analysis of Helix Pomatia Agglutinin. A Hexameric Lectin with a Novel Fold.
J.Biol.Chem., 281, 2006
6SK5
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BU of 6sk5 by Molmil
Cryo-EM structure of rhinovirus-B5 complexed to antiviral OBR-5-340
Descriptor: 6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine, Rhinovirus B5 VP1, Rhinovirus B5 VP2, ...
Authors:Wald, J, Goessweiner-Mohr, N, Blaas, D, Pasin, M.
Deposit date:2019-08-14
Release date:2019-09-04
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
8I16
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BU of 8i16 by Molmil
Crystal structure of the selenomethionine (SeMet)-derived Cas12g (D513A) mutant
Descriptor: Cas12g, ZINC ION
Authors:Zhang, B, Chen, J, Ye, Y.M, OuYang, S.Y.
Deposit date:2023-01-12
Release date:2023-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023
8I30
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BU of 8i30 by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 32j
Descriptor: (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2023-01-16
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
Descriptor: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Milligan, C.
Deposit date:2018-12-05
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.90197086 Å)
Cite:3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
4LWH
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BU of 4lwh by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
Descriptor: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
8IDC
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BU of 8idc by Molmil
Cryo-EM structure of Mycobacterium tuberculosis FtsEX/RipC complex in peptidisc
Descriptor: Cell division ATP-binding protein FtsE, Cell division protein FtsX, NlpC/P60 family protein
Authors:Li, J, Xu, X, Luo, M.
Deposit date:2023-02-12
Release date:2023-10-04
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Regulation of the cell division hydrolase RipC by the FtsEX system in Mycobacterium tuberculosis.
Nat Commun, 14, 2023
8IGQ
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BU of 8igq by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ADP bound FtsEX/RipC complex in peptidisc
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ...
Authors:Li, J, Xu, X, Luo, M.
Deposit date:2023-02-21
Release date:2023-10-04
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Regulation of the cell division hydrolase RipC by the FtsEX system in Mycobacterium tuberculosis.
Nat Commun, 14, 2023
8IDD
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BU of 8idd by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP bound FtsEX/RipC complex in peptidisc
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ...
Authors:Li, J, Xu, X, Luo, M.
Deposit date:2023-02-12
Release date:2023-10-04
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Regulation of the cell division hydrolase RipC by the FtsEX system in Mycobacterium tuberculosis.
Nat Commun, 14, 2023
6BIL
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BU of 6bil by Molmil
HLA-DRB1 in complex with citrullinated fibrinogen peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, HLA class II histocompatibility antigen, ...
Authors:Ting, Y.T, Scally, S.W, Rossjohn, J.
Deposit date:2017-11-02
Release date:2018-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
6BIV
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BU of 6biv by Molmil
HLA-DRB1 in complex with citrullinated LL37 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Ting, Y.T, Scally, S.W, Rossjohn, J.
Deposit date:2017-11-03
Release date:2018-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
6BIX
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BU of 6bix by Molmil
HLA-DRB1 in complex with citrullinated LL37 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II DR-beta (HLA-DR B), HLA class II histocompatibility antigen, ...
Authors:Ting, Y.T, Scally, S.W, Rossjohn, J.
Deposit date:2017-11-03
Release date:2018-01-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018

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