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7EV2
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Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-11 and ATP
分子名称: (5S)-5-[(1R)-1-(4-chloranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, M, Chen, S.
登録日2021-05-20
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
1KQ3
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BU of 1kq3 by Molmil
CRYSTAL STRUCTURE OF A GLYCEROL DEHYDROGENASE (TM0423) FROM THERMOTOGA MARITIMA AT 1.5 A RESOLUTION
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ZINC ION, ...
著者Wilson, I.A, Miller, M.D, Joint Center for Structural Genomics (JCSG)
登録日2002-01-03
公開日2002-02-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural genomics of the Thermotoga maritima proteome implemented in a high-throughput structure determination pipeline
Proc.Natl.Acad.Sci.USA, 99, 2002
1JE0
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BU of 1je0 by Molmil
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH PHOSPHATE AND TRIS MOLECULE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-METHYLTHIOADENOSINE PHOSPHORYLASE, PHOSPHATE ION
著者Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E.
登録日2001-06-15
公開日2001-10-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
7OUG
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BU of 7oug by Molmil
STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir
分子名称: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ...
著者Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
登録日2021-06-11
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7OUH
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BU of 7ouh by Molmil
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir
分子名称: Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
著者Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
登録日2021-06-11
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7OUF
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BU of 7ouf by Molmil
Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450
分子名称: 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
著者Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
登録日2021-06-11
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
1ID5
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BU of 1id5 by Molmil
CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEX WITH PROTEASE INHIBITOR ECOTIN
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ECOTIN, ...
著者Wang, S.X, Fletterick, R.J.
登録日2001-04-03
公開日2001-09-05
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of thrombin-ecotin reveals conformational changes and extended interactions.
Biochemistry, 40, 2001
1I6X
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BU of 1i6x by Molmil
STRUCTURE OF A STAR MUTANT CRP-CAMP AT 2.2 A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR PROTEIN
著者White, M.A, Lee, J.C, Fox, R.O.
登録日2001-03-06
公開日2003-06-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The effect of the D53H point mutation on the macroscopic motions of E. coli Cyclic AMP Receptor Protein
To be Published
1I6I
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BU of 1i6i by Molmil
CRYSTAL STRUCTURE OF THE KIF1A MOTOR DOMAIN COMPLEXED WITH MG-AMPPCP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, KINESIN-LIKE PROTEIN KIF1A, MAGNESIUM ION, ...
著者Kikkawa, M, Sablin, E.P, Okada, Y, Yajima, H, Fletterick, R.J, Hirokawa, N.
登録日2001-03-02
公開日2001-05-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Switch-based mechanism of kinesin motors
Nature, 411, 2001
1I5Z
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BU of 1i5z by Molmil
STRUCTURE OF CRP-CAMP AT 1.9 A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR PROTEIN
著者White, M.A, Lee, J.C, Fox, R.O.
登録日2001-03-01
公開日2003-06-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The effect of the D53H point mutation on the macroscopic motions of E. coli Cyclic AMP Receptor Protein
To be Published
5D99
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BU of 5d99 by Molmil
3DW4 redetermined by direct methods starting from random phase angles
分子名称: GLYCEROL, RNA (27-MER) hairpin from sarcin-ricin domain of E. coli 23S rRNA
著者Mooers, B.H.M.
登録日2015-08-18
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Direct-methods structure determination of a trypanosome RNA-editing substrate fragment with translational pseudosymmetry.
Acta Crystallogr D Struct Biol, 72, 2016
1D6F
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BU of 1d6f by Molmil
CHALCONE SYNTHASE C164A MUTANT
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHALCONE SYNTHASE, SULFATE ION
著者Jez, J.M, Ferrer, J.L, Bowman, M.E, Dixon, R.A, Noel, J.P.
登録日1999-10-13
公開日2000-02-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Dissection of malonyl-coenzyme A decarboxylation from polyketide formation in the reaction mechanism of a plant polyketide synthase.
Biochemistry, 39, 2000
1L8H
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BU of 1l8h by Molmil
DNA PROTECTION AND BINDING BY E. COLI DPS PROTEIN
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, POTASSIUM ION
著者Luo, J, Liu, D, White, M.A, Fox, R.O.
登録日2002-03-20
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献DNA Protection and Binding by E. Coli Dps Protein
To be Published
1UNE
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BU of 1une by Molmil
CARBOXYLIC ESTER HYDROLASE, 1.5 ANGSTROM ORTHORHOMBIC FORM OF THE BOVINE RECOMBINANT PLA2
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Sundaralingam, M.
登録日1997-11-05
公開日1998-05-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution refinement of orthorhombic bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.D, 55, 1999
5D40
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BU of 5d40 by Molmil
Crystal structure of the 5-selective H176Y mutant of Cytochrome TxtE
分子名称: CHLORIDE ION, GLYCEROL, P450-like protein, ...
著者Cahn, J.K.B, Dodani, S.C, Arnold, F.H.
登録日2015-08-06
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Nat.Chem., 8, 2016
8P1I
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BU of 8p1i by Molmil
Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution
分子名称: 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ...
著者Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S.
登録日2023-05-12
公開日2024-01-17
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae.
Embo Mol Med, 16, 2024
1JED
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BU of 1jed by Molmil
Crystal Structure of ATP Sulfurylase in complex with ADP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Ullrich, T.C, Huber, R.
登録日2001-06-17
公開日2001-11-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The complex structures of ATP sulfurylase with thiosulfate, ADP and chlorate reveal new insights in inhibitory effects and the catalytic cycle.
J.Mol.Biol., 313, 2001
1LOK
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BU of 1lok by Molmil
The 1.20 Angstrom Resolution Crystal Structure of the Aminopeptidase from Aeromonas proteolytica Complexed with Tris: A Tale of Buffer Inhibition
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, SODIUM ION, ...
著者Desmarais, W.T, Bienvenue, D.L, Bzymek, K.P, Holz, R.C, Petsko, G.A, Ringe, D.
登録日2002-05-06
公開日2002-11-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The 1.20 Angstrom Resolution Crystal Structure of the Aminopeptidase from Aeromonas proteolytica Complexed with Tris A tale of Buffer Inhibition
Structure, 10, 2002
5DFD
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BU of 5dfd by Molmil
Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound
分子名称: Bromodomain-containing protein 2, GLYCEROL, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
7PEL
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BU of 7pel by Molmil
CryoEM structure of simian T-cell lymphotropic virus intasome in complex with PP2A regulatory subunit B56 gamma
分子名称: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Isoform 3 of PC4 and SFRS1-interacting protein,Isoform Gamma-2 of Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ...
著者Barski, M, Pye, V.E, Nans, A, Cherepanov, P, Maertens, G.N.
登録日2021-08-10
公開日2021-08-25
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56gamma.
Nat Commun, 11, 2020
5AOS
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BU of 5aos by Molmil
Structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A solved at the As edge
分子名称: CACODYLATE ION, Carbohydrate binding module, GLYCEROL
著者Pires, A.J, Ribeiro, T, Thompson, A, Venditto, I, Fernandes, V.O, Bule, P, Santos, H, Alves, V.D, Pires, V, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2015-09-11
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DFC
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BU of 5dfc by Molmil
Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound
分子名称: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 2, GLYCEROL, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
1L8I
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BU of 1l8i by Molmil
Dna Protection and Binding by E. Coli DPS Protein
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, POTASSIUM ION
著者Luo, J, Liu, D, White, M.A, Fox, R.O.
登録日2002-03-20
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献DNA Protection and Binding by E. Coli Dps Protein
To be Published
5DFB
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BU of 5dfb by Molmil
Crystal structure of BRD2(BD2) mutant W370F in the free form
分子名称: Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
5D3U
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BU of 5d3u by Molmil
Crystal structure of the 5-selective H176F mutant of Cytochrome TxtE
分子名称: CHLORIDE ION, GLYCEROL, P450-like protein, ...
著者Cahn, J.K.B, Dodani, S.C, Arnold, F.H.
登録日2015-08-06
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Nat.Chem., 8, 2016

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