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4ZAG
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BU of 4zag by Molmil
Structure of UbiX E49Q mutant in complex with oxidised FMN and dimethylallyl monophosphate
Descriptor: Dimethylallyl monophosphate, FLAVIN MONONUCLEOTIDE, POTASSIUM ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
5LCN
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BU of 5lcn by Molmil
STRUCTURE OF THE PYROCOCCUS FURIOSUS ESTERASE PF2001 WITH SPACE GROUP P212121
Descriptor: PENTAETHYLENE GLYCOL, Uncharacterized protein
Authors:Varejao, N, Reverter, D.
Deposit date:2016-06-22
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
1ADU
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BU of 1adu by Molmil
EARLY E2A DNA-BINDING PROTEIN
Descriptor: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, ZINC ION
Authors:Tucker, P.A, Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C.
Deposit date:1995-05-11
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Alternative arrangements of the protein chain are possible for the adenovirus single-stranded DNA binding protein.
J.Mol.Biol., 257, 1996
4ZAZ
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BU of 4zaz by Molmil
Structure of UbiX Y169F in complex with a covalent adduct formed between reduced FMN and dimethylallyl monophosphate
Descriptor: 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, PHOSPHATE ION, SODIUM ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-14
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
1A3B
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BU of 1a3b by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG1
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), Hirudin, ...
Authors:Skordalakes, E, Elgendy, S, Dodson, G, Goodwin, C.A, Green, D, Scully, M.F, Freyssinet, J.H, Kakkar, V.V, Deadman, J.
Deposit date:1998-01-20
Release date:1998-06-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
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
7TZO
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BU of 7tzo by Molmil
The apo structure of human mTORC2 complex
Descriptor: Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ...
Authors:Yu, Z, Chen, J, Pearce, D.
Deposit date:2022-02-16
Release date:2023-01-11
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Interactions between mTORC2 core subunits Rictor and mSin1 dictate selective and context-dependent phosphorylation of substrate kinases SGK1 and Akt.
J.Biol.Chem., 298, 2022
5LMD
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BU of 5lmd by Molmil
The crystal structure of hCA II in complex with a benzoxaborole inhibitor
Descriptor: 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION
Authors:De Simone, G, Alterio, V, Esposito, D, Di Fiore, A.
Deposit date:2016-07-29
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
3UUO
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BU of 3uuo by Molmil
The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia
Descriptor: 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R.
Deposit date:2011-11-28
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
5LOC
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BU of 5loc by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH)
Descriptor: Meso-diaminopimelate D-dehydrogenase
Authors:Dunstan, M.S, Gahloth, D.
Deposit date:2016-08-09
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
1F4V
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BU of 1f4v by Molmil
CRYSTAL STRUCTURE OF ACTIVATED CHEY BOUND TO THE N-TERMINUS OF FLIM
Descriptor: BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, FLAGELLAR MOTOR SWITCH PROTEIN, ...
Authors:Lee, S.Y, Cho, H.S, Pelton, J.G, Yan, D, Henderson, R.K, King, D, Huang, L.S, Kustu, S, Berry, E.A, Wemmer, D.E.
Deposit date:2000-06-10
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of an activated response regulator bound to its target.
Nat.Struct.Biol., 8, 2001
2J50
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BU of 2j50 by Molmil
Structure of Aurora-2 in complex with PHA-739358
Descriptor: N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION
Authors:Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P.
Deposit date:2006-09-08
Release date:2006-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.
J.Med.Chem., 49, 2006
3HLW
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BU of 3hlw by Molmil
CTX-M-9 S70G in complex with cefotaxime
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase
Authors:Delmas, J, Leyssne, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R.
Deposit date:2009-05-28
Release date:2010-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
8CYA
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BU of 8cya by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-67
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
1IBR
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BU of 1ibr by Molmil
COMPLEX OF RAN WITH IMPORTIN BETA
Descriptor: GTP-binding nuclear protein RAN, Importin beta-1 subunit, MAGNESIUM ION, ...
Authors:Vetter, I.R, Arndt, A, Kutay, U, Goerlich, D, Wittinghofer, A.
Deposit date:1999-05-14
Release date:1999-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural view of the Ran-Importin beta interaction at 2.3 A resolution
Cell(Cambridge,Mass.), 97, 1999
8CYB
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BU of 8cyb by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 1-8
Descriptor: 1-deoxy-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
6HL4
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BU of 6hl4 by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
Deposit date:2018-09-10
Release date:2019-06-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLI
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BU of 6hli by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form bound to NAD+
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
Deposit date:2018-09-11
Release date:2019-06-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
8CYJ
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BU of 8cyj by Molmil
RBD of SARS-CoV-2 Spike protein in complex with pan-sarbecovirus nanobodies 2-10, 2-67, 2-62 and 1-25
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 1-25, pan-sarbecovirus nanobody 2-10, ...
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
6HMC
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BU of 6hmc by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Descriptor: 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Dimper, V, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
1I7R
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BU of 1i7r by Molmil
CRYSTAL STRUCTURE OF CLASS I MHC A2 IN COMPLEX WITH PEPTIDE P1058
Descriptor: 9 RESIDUE PEPTIDE, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Busslep, J, Zhao, R, Loftus, D, Appella, E, Collins, E.J.
Deposit date:2001-03-10
Release date:2001-10-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:T cell activity correlates with oligomeric peptide/MHC binding on T cell surface
J.Biol.Chem., 276, 2001
9GA2
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BU of 9ga2 by Molmil
MtUvrA2 dimer empty
Descriptor: UvrABC system protein A, ZINC ION
Authors:Genta, M, Capelli, R, Ferrara, G, Rizzi, M, Rossi, F, Jeruzalmi, D, Bolognesi, M, Chaves-Sanjuan, A, Miggiano, R.
Deposit date:2024-07-26
Release date:2025-04-23
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Mechanistic understanding of UvrA damage detection and lesion hand-off to UvrB in Nucleotide Excision Repair.
Nat Commun, 16, 2025
9GA4
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BU of 9ga4 by Molmil
MtUvrA2UvrB2 bound to damaged oligonucleotide
Descriptor: DNA, UvrABC system protein A, UvrABC system protein B, ...
Authors:Genta, M, Capelli, R, Ferrara, G, Rizzi, M, Rossi, F, Jeruzalmi, D, Bolognesi, M, Chaves-Sanjuan, A, Miggiano, R.
Deposit date:2024-07-26
Release date:2025-04-23
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanistic understanding of UvrA damage detection and lesion hand-off to UvrB in Nucleotide Excision Repair.
Nat Commun, 16, 2025
8PK2
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BU of 8pk2 by Molmil
Cryo EM structure of the type 1m polymorph of alpha-synuclein
Descriptor: Alpha-synuclein
Authors:Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R.
Deposit date:2023-06-24
Release date:2024-05-29
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
5LOA
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BU of 5loa by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH) bound to NADP+
Descriptor: Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Dunstan, M.S, Gahloth, D.
Deposit date:2016-08-09
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published

238582

数据于2025-07-09公开中

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