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PDB: 88675 results

6MZ2
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BU of 6mz2 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 7.9
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-11-03
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam.
Proc.Natl.Acad.Sci.USA, 117, 2020
6MQ4
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BU of 6mq4 by Molmil
GH5-4 broad specificity endoglucanase from Hungateiclostridium cellulolyticum
Descriptor: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2018-10-09
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
7Q3O
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BU of 7q3o by Molmil
Structure of CDX1 bound to hydroxymethylated DNA
Descriptor: Homeobox protein CDX-1, hydroxymethylated DNA (18-MER)
Authors:Morgunova, E, Yin, Y, Popov, A, Taipale, J.
Deposit date:2021-10-28
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure of CDX1 bound to hydroxymethylated DNA
To Be Published
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7Q1M
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BU of 7q1m by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
Descriptor: 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, CHLORIDE ION, ...
Authors:Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
Deposit date:2021-10-20
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7PZO
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BU of 7pzo by Molmil
mite allergen Der p 3 from Dermatophagoides pteronyssinus
Descriptor: SULFATE ION, mite allergen Der p 3
Authors:Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Mikheeva, O.O, Kostromina, M.A, Lykoshin, D.D, Zayats, E.A, Zavriev, S.K, Esipov, R.S, Kuranova, I.P.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold.
J.Biomol.Struct.Dyn., 36, 2018
8EGK
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BU of 8egk by Molmil
Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120
Descriptor: AZIDE ION, All4481 protein
Authors:Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M.
Deposit date:2022-09-12
Release date:2023-05-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
7AM1
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BU of 7am1 by Molmil
Structure of yeast Ssd1, a pseudonuclease
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protein SSD1
Authors:Cook, A.G, Jayachandran, U.
Deposit date:2020-10-07
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Yeast Ssd1 is a non-enzymatic member of the RNase II family with an alternative RNA recognition site.
Nucleic Acids Res., 50, 2022
6MTC
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BU of 6mtc by Molmil
Rabbit 80S ribosome with Z-site tRNA and IFRD2 (unrotated state)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Brown, A, Baird, M.R, Yip, M.C.J, Murray, J, Shao, S.
Deposit date:2018-10-19
Release date:2018-11-21
Last modified:2019-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of translationally inactive mammalian ribosomes.
Elife, 7, 2018
7Q1N
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BU of 7q1n by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
Descriptor: 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, CHLORIDE ION, ...
Authors:Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
Deposit date:2021-10-20
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7Q4N
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BU of 7q4n by Molmil
transcription factor CDX2 bound to hydroxymethylated DNA
Descriptor: DNA (18-MER), Homeobox protein CDX-2
Authors:Morgunova, E, Yin, Y, Popov, A, Taipale, J.
Deposit date:2021-11-01
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:transcription factor CDX2 bound to hydroxymethylated DNA
To Be Published
6P1N
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BU of 6p1n by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming dAMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1S
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BU of 6p1s by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated AMP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
7Q1P
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BU of 7q1p by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
Descriptor: 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, CHLORIDE ION, ...
Authors:Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
Deposit date:2021-10-20
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
6MYS
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BU of 6mys by Molmil
Avian mitochondrial complex II with Atpenin A5 bound, sidechain outside
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Berry, E.A, Huang, L.-S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
8C3D
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BU of 8c3d by Molmil
Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K
Authors:Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D.
Deposit date:2022-12-23
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
6P58
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BU of 6p58 by Molmil
Dark and Steady State-Illuminated Crystal Structure of Cyanobacteriochrome Receptor PixJ at 150K
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ...
Authors:Clinger, J.A, Miller, M.D, Buirgie, E.S, Vierstra, R.D, Phillips Jr, G.N.
Deposit date:2019-05-29
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
7MZO
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BU of 7mzo by Molmil
Crystal structure of the UcaD lectin-binding domain
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
7MZQ
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BU of 7mzq by Molmil
Crystal structure of the UcaD lectin-binding domain in complex with fucose
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD, beta-L-fucopyranose
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
7Q57
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BU of 7q57 by Molmil
Single Particle Cryo-EM structure of photosynthetic A10B10 glyceraldehyde-3-phospahte dehydrogenase from Spinacia oleracea.
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic,Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, ...
Authors:Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
Deposit date:2021-11-02
Release date:2022-11-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (13 Å)
Cite:Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022
7MZS
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BU of 7mzs by Molmil
Crystal structure of the UcaD lectin-binding domain in complex with galactose
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD, alpha-D-galactopyranose
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
7Q1O
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BU of 7q1o by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
Descriptor: 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, CHLORIDE ION, ...
Authors:Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
Deposit date:2021-10-20
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7MZP
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BU of 7mzp by Molmil
Crystal structure of the UclD lectin-binding domain
Descriptor: F17-like fimbril adhesin subunit UclD, IODIDE ION
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
7Q44
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BU of 7q44 by Molmil
Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of deubiquitinase USP35
Descriptor: CITRIC ACID, Deubiquitinase USP35 peptide, E3 ubiquitin-protein ligase HERC2
Authors:Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G.
Deposit date:2021-10-29
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.20007777 Å)
Cite:Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of deubiquitinase USP35
To Be Published
7MZR
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BU of 7mzr by Molmil
Crystal structure of the UcaD lectin-binding domain in complex with glucose
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD, beta-D-glucopyranose
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022

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数据于2024-07-31公开中

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