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PDB: 22488 results

8PNZ
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Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
Descriptor: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
6GA6
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Bacteriorhodopsin, 10 ps state, real-space refined against 10% extrapolated map
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
8PTI
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CRYSTAL STRUCTURE OF A Y35G MUTANT OF BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Housset, D, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
Deposit date:1990-12-17
Release date:1991-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a Y35G mutant of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 220, 1991
6GAG
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BACTERIORHODOPSIN, 630 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
8PCQ
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Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 500 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
1O08
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Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 1-phosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase
Authors:Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-02-20
Release date:2003-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003
8PCU
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Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 5000 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
5LRW
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Structure of Cezanne/OTUD7B OTU domain bound to ubiquitin
Descriptor: GLYCEROL, OTU domain-containing protein 7B, Polyubiquitin-B
Authors:Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
8PFR
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BU of 8pfr by Molmil
Mouse RPL39L integrated into the yeast 60S ribosomal subunit
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M.
Deposit date:2023-06-16
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.15 Å)
Cite:Mouse RPL39L integrated into the yeast 60S ribosomal subunit
To Be Published
8PCA
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BU of 8pca by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 50 ms
Descriptor: Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
5LSU
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Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase NSD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
8PC9
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Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 0 ms - native.
Descriptor: Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
3KVI
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BU of 3kvi by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate
Descriptor: Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid
Authors:Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
Deposit date:2009-11-30
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
8PCT
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BU of 8pct by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 2500 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
1O25
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BU of 1o25 by Molmil
Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with dUMP at 2.4 A resolution
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase thyX
Authors:Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG)
Deposit date:2003-02-20
Release date:2003-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
1O2E
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BU of 1o2e by Molmil
Structure of the triple mutant (K53,56,120M) + Anisic acid complex of phospholipase A2
Descriptor: 4-METHOXYBENZOIC ACID, CALCIUM ION, Phospholipase A2
Authors:Sekar, K, Velmurugan, D, Tsai, M.D.
Deposit date:2003-03-05
Release date:2003-09-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the free and anisic acid bound triple mutant of phospholipase A2.
J.Mol.Biol., 333, 2003
2PMD
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BU of 2pmd by Molmil
The structures of aIF2gamma subunit from the archaeon Sulfolobus solfataricus in the GDP-bound form.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PYROPHOSPHATE, ...
Authors:Nikonov, O.S, Stolboushkina, E.A, Nikulin, A.D, Hasenohrl, D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, S.V.
Deposit date:2007-04-21
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:New Insights into the Interactions of the Translation Initiation Factor 2 from Archaea with Guanine Nucleotides and Initiator tRNA.
J.Mol.Biol., 373, 2007
1O2I
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J.
Deposit date:2003-03-06
Release date:2003-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
5LYW
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BU of 5lyw by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 6-((R)-2-o-Tolyloxymethyl-pyrrolidin-1-yl)-9H-purine
Descriptor: 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine, MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Musil, D, Heinrich, T, Knoechel, T, Lehmann, M.
Deposit date:2016-09-28
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.
Bioorg. Med. Chem. Lett., 27, 2017
8PEU
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BU of 8peu by Molmil
Rho-ATPgS-Psu complex I
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Polarity suppression protein, ...
Authors:Gjorgjevikj, D, Wahl, M.C, Hilal, T, Loll, B.
Deposit date:2023-06-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Rho-ATPgS-Psu complex I
To Be Published
1O2N
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J.
Deposit date:2003-03-06
Release date:2003-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
3KOW
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BU of 3kow by Molmil
Crystal Structure of ornithine 4,5 aminomutase backsoaked complex
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2012-10-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
8PCI
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BU of 8pci by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 5000 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
1O26
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Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and dUMP at 1.6 A resolution
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ...
Authors:Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG)
Deposit date:2003-02-18
Release date:2003-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
1O2U
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
Deposit date:2003-03-06
Release date:2003-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003

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