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4XJL
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Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide, ...
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University Of Minnesota, 2015
4XJM
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Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
分子名称: 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University of Minnesota, 2015
8GOC
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Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Vasopressin V2 receptor, V2R
分子名称: Beta-arrestin-2, Fab30 Heavy Chain, Fab30 Light Chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2022-08-24
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8GOO
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Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1
分子名称: Beta-arrestin-2, C5a anaphylatoxin chemotactic receptor 1, Fab30 Heavy Chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2022-08-25
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8GP3
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Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4
分子名称: Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2022-08-25
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8GO8
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BU of 8go8 by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1
分子名称: Beta-arrestin-1, C5a anaphylatoxin chemotactic receptor 1, Fab30 heavy chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2022-08-24
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8GOG
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Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III))
分子名称: CHLORIDE ION, GLYCEROL, RHODIUM(III) ION, ...
著者Sairaman, A, Mukherjee, P, Maiti, D, Bhaumik, P.
登録日2022-08-24
公開日2024-02-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enantiodivergent synthesis of isoindolones catalysed by a Rh(III)-based artificial metalloenzyme
Nat Synth, 2024
8HPT
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Structure of C5a-pep bound mouse C5aR1 in complex with Go
分子名称: Antibody fragment ScFv16, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Saha, S, Maharana, J, Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
登録日2022-12-13
公開日2023-10-18
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structure of a GPCR-G protein in complex with a synthetic peptide agonist
Cell(Cambridge,Mass.), 2023
8HQC
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Structure of a GPCR-G protein in complex with a natural peptide agonist
分子名称: Antibody fragment, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
著者Saha, S, Maharana, J, Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
登録日2022-12-13
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Structure of a GPCR-G protein in complex with a synthetic peptide agonist
Cell(Cambridge,Mass.), 2023
6O9F
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The structure of Thermomyces Lanuginosa lipase in complex with 1,3 diacylglycerol in a monoclinic crystal form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
著者McPherson, A.
登録日2019-03-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The Crystal Structures of Thermomyces (Humicola) Lanuginosa Lipase in Complex with Enzymatic Reactants
Curr Enzym Inhib, 16, 2020
6O8V
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The structure of lipase from Thermomyces Lanuginosa in complex with 1,3 diacylglycerol: Rhombohedral crystal form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, Lipase, ...
著者McPherson, A.
登録日2019-03-12
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Crystal Structures of Thermomyces (Humicola) Lanuginosa Lipase in Complex with Enzymatic Reactants
Curr Enzym Inhib, 16, 2020
6OSZ
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High Resolution Structure of the Monoclinic Form of Thermomyces Lanuginosa Lipase Complexed with Its Catalytic Products
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
著者McPherson, A.
登録日2019-05-02
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献The Crystal Structures of Thermomyces (Humicola) Lanuginosa Lipase in Complex with Enzymatic Reactants
Curr Enzym Inhib, 16, 2020
8X1D
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BU of 8x1d by Molmil
Crystal structure of GH11 from Thermoanaerobacterium saccharolyticum (pH8.5)
分子名称: ACETATE ION, Endo-1,4-beta-xylanase
著者Nam, K.H.
登録日2023-11-07
公開日2023-11-22
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献pH-Induced structural changes in xylanase GH11 from Thermoanaerobacterium saccharolyticum
F1000Res, 13, 2024
8I0N
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BU of 8i0n by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine)
分子名称: Beta-arrestin-1, C5a anaphylatoxin chemotactic receptor 1, Fab30 heavy chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2023-01-11
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8I10
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Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Vasopressin V2 receptor, V2R (Local refine)
分子名称: Beta-arrestin-2, Fab30 Heavy Chain, Fab30 Light Chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2023-01-12
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8I0Z
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BU of 8i0z by Molmil
Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine)
分子名称: Beta-arrestin-2, C5a anaphylatoxin chemotactic receptor 1, Fab30 Heavy Chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2023-01-12
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (4.33 Å)
主引用文献Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8I0Q
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BU of 8i0q by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4 (Local refine)
分子名称: Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2023-01-11
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (4.45 Å)
主引用文献Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
6RUQ
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Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution
分子名称: (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S.
登録日2019-05-28
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.65 Å)
主引用文献Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2.
Febs J., 288, 2021
5KJR
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BU of 5kjr by Molmil
Crystal structure of the ADCC-potent antibody N60-i3 Fab in complex with HIV-1 Clade A/E gp120 W69A/S115W mutant and M48U1.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, M48U1 CD4 MIMETIC PEPTIDE, ...
著者Tolbert, W.D, Pazgier, M.
登録日2016-06-20
公開日2016-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献A Highly Conserved gp120 Inner Domain Residue Modulates Env Conformation and Trimer Stability.
J.Virol., 90, 2016
6FHP
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BU of 6fhp by Molmil
DAIP in complex with a C-terminal fragment of thermolysin
分子名称: Dispase autolysis-inducing protein, Thermolysin
著者Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
登録日2018-01-15
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018
4XJO
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BU of 4xjo by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead
分子名称: 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
4XJP
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BU of 4xjp by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead
分子名称: 1,2-ETHANEDIOL, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
7ZKX
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BU of 7zkx by Molmil
SRPK2 IN COMPLEX WITH INHIBITOR
分子名称: 1,2-ETHANEDIOL, ACETATE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, ...
著者Graedler, U.
登録日2022-04-13
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
J.Med.Chem., 66, 2023
1DD4
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BU of 1dd4 by Molmil
Crystal structure of ribosomal protein l12 from thermotoga maritim
分子名称: 50S RIBOSOMAL PROTEIN L7/L12, HEXATANTALUM DODECABROMIDE
著者Wahl, M.C, Bourenkov, G.P, Bartunik, H.D, Huber, R.
登録日1999-11-08
公開日2000-11-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flexibility, conformational diversity and two dimerization modes in complexes of ribosomal protein L12.
Embo J., 19, 2000
1DD3
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CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN L12 FROM THERMOTOGA MARITIMA
分子名称: 50S RIBOSOMAL PROTEIN L7/L12
著者Wahl, M.C, Bourenkov, G.P, Bartunik, H.D, Huber, R.
登録日1999-11-08
公開日2000-11-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flexibility, conformational diversity and two dimerization modes in complexes of ribosomal protein L12.
EMBO J., 19, 2000

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