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PDB: 89832 results

7MB5
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp5/6 (P6-P1)
Descriptor: 3C-like proteinase, SER-GLY-VAL-THR-PHE-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
6BK7
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BU of 6bk7 by Molmil
1.83 Angstrom Resolution Crystal Structure of N-terminal Fragment (residues 1-404) of Elongation Factor G from Enterococcus faecalis
Descriptor: Elongation factor G, SODIUM ION
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-11-07
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:1.83 Angstrom Resolution Crystal Structure of N-terminal Fragment (residues 1-404) of Elongation Factor G from Enterococcus faecalis.
To be Published
8UDT
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BU of 8udt by Molmil
The X-RAY co-crystal structure of human FGFR3 and KIN-3248
Descriptor: 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3
Authors:Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W.
Deposit date:2023-09-29
Release date:2024-02-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.829 Å)
Cite:Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
6VNA
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Pden_1323
Descriptor: Pyridoxamine 5'-phosphate oxidase-related, FMN-binding protein
Authors:Isiorho, E.A, Mansoorabadi, S.O.
Deposit date:2020-01-29
Release date:2021-02-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A noncanonical heme oxygenase specific for the degradation of c-type heme.
J.Biol.Chem., 296, 2021
6ZP1
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BU of 6zp1 by Molmil
Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Closed State
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
Deposit date:2020-07-08
Release date:2020-07-22
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
7MB6
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp6/7 (P6-P1)
Descriptor: 3C-like proteinase, LYS-VAL-ALA-THR-VAL-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
5N29
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BU of 5n29 by Molmil
An improved model of the Trypanosoma brucei CTP synthase glutaminase domain:acivicin complex.
Descriptor: CHLORIDE ION, CTP synthase
Authors:de Souza, J, Dawson, A, Hunter, W.
Deposit date:2017-02-07
Release date:2017-04-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Improved Model of the Trypanosoma brucei CTP Synthetase Glutaminase Domain-Acivicin Complex.
ChemMedChem, 12, 2017
8BIV
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Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii
Descriptor: Cystathionine beta-lyase, putative, GLYCEROL, ...
Authors:Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
Deposit date:2022-11-02
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
6P9V
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Crystal Structure of hMAT Mutant K289L
Descriptor: ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Miller, M.D, Xu, W, Huber, T.D, Clinger, J.A, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2019-06-10
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Methionine Adenosyltransferase Engineering to Enable Bioorthogonal Platforms for AdoMet-Utilizing Enzymes.
Acs Chem.Biol., 15, 2020
5N5M
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Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and (R)-3-(2-((isoquinolin-5-ylmethyl)(methyl)carbamoyl)phenyl)pyrrolidin-1-ium
Descriptor: Pimtide, Serine/threonine-protein kinase pim-1, ~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
8BIX
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Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii in complex with cystathionine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cystathionine beta-lyase, putative, ...
Authors:Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
Deposit date:2022-11-02
Release date:2023-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
6BZA
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Crystal structure of halogenase PltM in complex with phloroglucinol and FAD
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Halogenase PltM, ...
Authors:Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2017-12-22
Release date:2019-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019
4B7Y
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BU of 4b7y by Molmil
Crystal structure of the MSL1-MSL2 complex
Descriptor: MALE-SPECIFIC LETHAL 1 HOMOLOG, MALE-SPECIFIC LETHAL 2 HOMOLOG, ZINC ION
Authors:Hallacli, E, Lipp, M, Georgiev, P, Spielman, C, Cusack, S, Akhtar, A, Kadlec, J.
Deposit date:2012-08-24
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Msl1-Mediated Dimerization of the Dosage Compensation Complex is Essential for Male X-Chromosome Regulation in Drosophila.
Mol.Cell, 48, 2012
6R5Z
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9-bladed beta-propeller formed by three 3-bladed fragments
Descriptor: 9-bladed beta-propeller formed by three 3-bladed fragments
Authors:Martin, J, Lupas, A.N, Hartmann, M.D.
Deposit date:2019-03-26
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural diversity of oligomeric beta-propellers with different numbers of identical blades.
Elife, 8, 2019
6ZS2
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BU of 6zs2 by Molmil
Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
Descriptor: 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1
Authors:Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-07-15
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
6MQL
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Crystal Structure of GTPase Domain of Human Septin 12 Mutant T89M
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Septin-12
Authors:Castro, D.K.S.V, Pereira, H.M, Brandao-Neto, J, Ulian, A.P.U, Garratt, R.C.
Deposit date:2018-10-10
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal Structure of GTPase Domain of Human Septin 12
To Be Published
6GRK
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Structure of the soluble AhlB of the tripartite alpha-pore forming toxin, AHL, from Aeromonas hydrophila.
Descriptor: AhlB
Authors:Churchill-Angus, A.M, Wilson, J.S, Baker, P.J.
Deposit date:2018-06-11
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and structural analysis of the tripartite alpha-pore forming toxin of Aeromonas hydrophila.
Nat Commun, 10, 2019
5W7P
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BU of 5w7p by Molmil
Crystal structure of OxaC
Descriptor: OxaC, S-ADENOSYLMETHIONINE
Authors:Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
3FVV
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The crystal structure of the protein with unknown function from Bordetella pertussis Tohama I
Descriptor: SULFATE ION, uncharacterized protein
Authors:Zhang, R, Bigelow, L, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-01-16
Release date:2009-02-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of the protein with unknown function from Bordetella pertussis Tohama I
To be Published
6GS7
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Crystal structure of peptide transporter DtpA-nanobody in glycine buffer
Descriptor: Dipeptide and tripeptide permease A, nanobody
Authors:Ural-Blimke, Y, Flayhan, A, Quistgaard, E.M, Loew, C.
Deposit date:2018-06-13
Release date:2019-01-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of Prototypic Peptide Transporter DtpA from E. coli in Complex with Valganciclovir Provides Insights into Drug Binding of Human PepT1.
J. Am. Chem. Soc., 141, 2019
6IVV
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Structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii with multiple surface binding regions at 1.26A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P.
Deposit date:2018-12-04
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure of peptide t-RNA hydrolase from Acinetobacter baumannii with multiple surface binding sites at 1.26 Angstrom resolution.
To Be Published
6ZVK
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The Halastavi arva virus (HalV) intergenic region IRES promotes translation by the simplest possible initiation mechanism
Descriptor: 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES17, ...
Authors:Abaeva, I.S, Vicens, Q, Bochler, A, Soufari, H, Simonetti, A, Pestova, T, Hashem, Y, Hellen, C.U.T.
Deposit date:2020-07-24
Release date:2020-12-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:The Halastavi arva Virus Intergenic Region IRES Promotes Translation by the Simplest Possible Initiation Mechanism.
Cell Rep, 33, 2020
4PFJ
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BU of 4pfj by Molmil
The structure of bi-acetylated SAHH
Descriptor: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kavran, J.M, Wang, Y, Cole, P.A, Leahy, D.J.
Deposit date:2014-04-29
Release date:2014-10-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Regulation of s-adenosylhomocysteine hydrolase by lysine acetylation.
J.Biol.Chem., 289, 2014
6C4S
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BU of 6c4s by Molmil
Human cSrc SH3 Domain in complex with Choline Kinase fragment 60-69
Descriptor: Proto-oncogene tyrosine-protein kinase Src,cSrc SH3 Domain, ZINC ION
Authors:Kall, S.L, Lavie, A.
Deposit date:2018-01-12
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for the interaction between human choline kinase alpha and the SH3 domain of the c-Src tyrosine kinase.
Sci Rep, 9, 2019
3M14
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BU of 3m14 by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U.
Deposit date:2010-03-04
Release date:2011-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published

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