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PDB: 6634 results

7PL2
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BU of 7pl2 by Molmil
Crystal structure of choline-binding module of LytB from Streptococcus pneumoniae
Descriptor: CHOLINE ION, Putative endo-beta-N-acetylglucosaminidase
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-28
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PL5
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BU of 7pl5 by Molmil
Crystal structure of choline-binding module (R1-R9) of LytB from Streptococcus pneumoniae
Descriptor: CHOLINE ION, Putative endo-beta-N-acetylglucosaminidase, TRIETHYLENE GLYCOL, ...
Authors:Molina, R, Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-28
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ3
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BU of 7pj3 by Molmil
Crystal structure of catalytic domain in open conformation of LytB from Streptococcus pneumoniae
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
2HBY
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BU of 2hby by Molmil
Crystal structure of human caspase-1 (Glu390->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
7PL3
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BU of 7pl3 by Molmil
Crystal structure of catalytic domain in closed conformation of LytB from Streptococcus pneumoniae
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-28
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
2HDL
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BU of 2hdl by Molmil
Solution structure of Brak/CXCL14
Descriptor: Small inducible cytokine B14
Authors:Peterson, F.C, Thorpe, J.A, Harder, A.G, Volkman, B.F, Schwarze, S.R.
Deposit date:2006-06-20
Release date:2006-10-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Determinants Involved in the Regulation of CXCL14/BRAK Expression by the 26 S Proteasome.
J.Mol.Biol., 363, 2006
7POD
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BU of 7pod by Molmil
Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM tetrasaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-09-08
Release date:2022-09-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PPX
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BU of 7ppx by Molmil
ATAD2 in complex with FragLite3
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M.
Deposit date:2021-09-15
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
2HI9
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BU of 2hi9 by Molmil
Crystal Structure of human native protein C inhibitor
Descriptor: CITRIC ACID, GLYCEROL, Plasma serine protease inhibitor
Authors:Li, W, Adams, T.E, Huntington, J.A.
Deposit date:2006-06-29
Release date:2007-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of native protein C inhibitor provides insight into its multiple functions.
J.Biol.Chem., 282, 2007
7PMP
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BU of 7pmp by Molmil
Solution structure of Legionella pneumophila LspD
Descriptor: Type II protein secretion LspD
Authors:Portlock, T.J, Garnett, J.A.
Deposit date:2021-09-02
Release date:2022-09-14
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution structure of Legionella pneumophila LspD N0
To Be Published
2HGD
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BU of 2hgd by Molmil
Structure of S65A Y66F GFP variant with an oxidized chromophore
Descriptor: Green fluorescent protein
Authors:Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2006-06-26
Release date:2007-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Case of the Missing Ring: Radical Cleavage of a Carbon-Carbon Bond and Implications for GFP Chromophore Biosynthesis
J.Am.Chem.Soc., 129, 2007
2HGY
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BU of 2hgy by Molmil
Structure of S65A Y66F E222A GFP variant after cyclization and carbon-carbon bond cleavage
Descriptor: Green fluorescent protein
Authors:Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2006-06-27
Release date:2007-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Case of the Missing Ring: Radical Cleavage of a Carbon-Carbon Bond and Implications for GFP Chromophore Biosynthesis
J.Am.Chem.Soc., 129, 2007
7PQ4
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BU of 7pq4 by Molmil
NMR Structure of RgpB C-terminal Domain
Descriptor: Arginine-specific cysteine proteinase (Arg-gingipain)
Authors:Dorgan, B.J, Curtis, M.A, Garnett, J.A.
Deposit date:2021-09-16
Release date:2022-09-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Model of a Porphyromonas gingivalis type IX Secretion System Shuttle Complex.
J.Mol.Biol., 434, 2022
2HG6
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BU of 2hg6 by Molmil
Solution NMR Structure of Protein PA1123 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT4; Ontario Centre for Structural Proteomics Target PA1123.
Descriptor: Hypothetical protein
Authors:Lemak, A, Srisailam, S, Yee, A, Lukin, J.A, Orekhov, V.Y, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-26
Release date:2006-07-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of a hypothetical protein from Pseudomonas aeruginosa (Northeast Structural Genomics Consortium Target: PaT4; Ontario Centre for Structural Proteomics Target: PA1123)
To be Published
2HI2
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BU of 2hi2 by Molmil
Crystal structure of native Neisseria gonorrhoeae Type IV pilin at 2.3 Angstroms Resolution
Descriptor: Fimbrial protein, HEPTANE-1,2,3-TRIOL, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, ...
Authors:Craig, L, Arvai, A.S, Tainer, J.A.
Deposit date:2006-06-28
Release date:2006-09-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Type IV Pilus Structure by Cryo-Electron Microscopy and Crystallography: Implications for Pilus Assembly and Functions.
Mol.Cell, 23, 2006
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
7PTJ
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BU of 7ptj by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Choline sulfatase, ...
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 (2.1 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7QGI
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BU of 7qgi by Molmil
Crystal structure of SARS-CoV-2 NSP14 in the absence of NSP10
Descriptor: PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION
Authors:Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O.
Deposit date:2021-12-08
Release date:2022-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development.
Nucleic Acids Res., 51, 2023
7QGP
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BU of 7qgp by Molmil
STK10 (LOK) bound to Macrocycle CKJB51
Descriptor: 1,2-ETHANEDIOL, 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea, CHLORIDE ION, ...
Authors:Berger, B.-T, Schroeder, M, Kraemer, A, Schwalm, M.P, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-12-09
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:STK10 bound to CKJB51
To Be Published
7QIF
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BU of 7qif by Molmil
Crystal structure of SARS-CoV-2 NSP14 in complex with 7MeGpppG.
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O.
Deposit date:2021-12-14
Release date:2022-02-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development.
Nucleic Acids Res., 51, 2023
2JH5
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BU of 2jh5 by Molmil
Human Thrombin Hirugen Inhibitor complex
Descriptor: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
Authors:Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
Deposit date:2007-02-20
Release date:2007-05-08
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
7QUE
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BU of 7que by Molmil
The STK17A (DRAK1) Kinase Domain Bound to CKJB68
Descriptor: Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
Authors:Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S.
Deposit date:2022-01-17
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.
J.Med.Chem., 65, 2022
2JGO
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BU of 2jgo by Molmil
Structure of the arsenated de novo designed peptide Coil Ser L9C
Descriptor: ARSENIC, COIL SER L9C, ZINC ION
Authors:Touw, D.S, Nordman, C.E, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2007-02-13
Release date:2007-07-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Identifying Important Structural Characteristics of Arsenic Resistance Proteins by Using Designed Three-Stranded Coiled Coils.
Proc.Natl.Acad.Sci.USA, 104, 2007
2JH0
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BU of 2jh0 by Molmil
Human Thrombin Hirugen Inhibitor complex
Descriptor: (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
Authors:Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
Deposit date:2007-02-19
Release date:2007-05-08
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
2JVK
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BU of 2jvk by Molmil
NMR Solution Structure of the Hyper-Sporulation Response Regulator Spo0F Mutant L66A from Bacillus subtilis
Descriptor: Sporulation initiation phosphotransferase F
Authors:Bobay, B.G, McLaughlin, P.D, Thompson, R.J, Hoch, J.A, Cavanagh, J.
Deposit date:2007-09-20
Release date:2008-02-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Covariance identifies dynamic residues at the interfaces in protein/protein complexes
To be Published

223790

数据于2024-08-14公开中

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