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6C8V
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X-ray structure of PqqE from Methylobacterium extorquens
分子名称: Coenzyme PQQ synthesis protein E, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER
著者Gizzi, A.S, Grove, T.L, Bonanno, J.B, Almo, S.C.
登録日2018-01-25
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献X-ray and EPR Characterization of the Auxiliary Fe-S Clusters in the Radical SAM Enzyme PqqE.
Biochemistry, 57, 2018
6I8S
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BU of 6i8s by Molmil
Discovery and characterisation of an antibody that selectively modulates the inhibitory activity of plasminogen activator inhibitor-1
分子名称: HEAVY CHAIN OF FAB FRAGMENT FROM AN PAI-1 ANTIBODY, LIGHT CHAIN OF FAB FRAGMENT FROM AN PAI-1 ANTIBODY, Plasminogen activator inhibitor 1
著者Vousden, K.A, Lundqvist, T, Popovic, B.
登録日2018-11-21
公開日2019-02-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and characterisation of an antibody that selectively modulates the inhibitory activity of plasminogen activator inhibitor-1.
Sci Rep, 9, 2019
6B2P
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BU of 6b2p by Molmil
Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
分子名称: 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB
著者Zuccola, H.J.
登録日2017-09-20
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
6IEQ
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BU of 6ieq by Molmil
Crystal Structure of HIV-1 Env ConM SOSIP.v7 in Complex with bNAb PGT124 and 35O22
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab Heavy Chain, ...
著者Han, B.W, Wilson, I.A.
登録日2018-09-16
公開日2019-05-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structure and immunogenicity of a stabilized HIV-1 envelope trimer based on a group-M consensus sequence.
Nat Commun, 10, 2019
6B38
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Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
分子名称: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
著者Su, H.P.
登録日2017-09-21
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3G
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BU of 6b3g by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
分子名称: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
著者Su, H.P.
登録日2017-09-21
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6BFB
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BU of 6bfb by Molmil
Crystal structure of a F. nucleatum FMN riboswitch bound to WG-3
分子名称: 5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid, MAGNESIUM ION, RNA (54-MER), ...
著者Rizvi, N.F, Fischmann, T.O.
登録日2017-10-26
公開日2018-02-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of Selective RNA-Binding Small Molecules by Affinity-Selection Mass Spectrometry.
ACS Chem. Biol., 13, 2018
5NNE
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Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated TOP2A peptide (K1201ac/K1204ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GKA(ALY)GK(ALY)TQMY
著者Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
登録日2017-04-08
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
5NO5
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AbyA5 Wildtype
分子名称: AbyA5
著者Byrne, M.J, Race, P.R.
登録日2017-04-10
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis.
Angew.Chem.Int.Ed.Engl., 58, 2019
5NQ0
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BU of 5nq0 by Molmil
Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting DFEREGYSL
分子名称: 1,2-ETHANEDIOL, ASP-PHE-GLU-ARG-GLU-GLY-TYR-SER-LEU, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Tungatt, K, Sewell, A.K.
登録日2017-04-19
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
6HCV
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BU of 6hcv by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand
分子名称: 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase
著者Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
登録日2018-08-16
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5LQ3
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BU of 5lq3 by Molmil
Structures and transport dynamics of the Campylobacter jejuni multidrug efflux pump CmeB
分子名称: CmeB
著者Su, C.C.
登録日2016-08-15
公開日2017-08-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Structures and transport dynamics of a Campylobacter jejuni multidrug efflux pump.
Nat Commun, 8, 2017
6HPO
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BU of 6hpo by Molmil
Crystallographic structure of the catalytic domain of Human Phenylalanine Hydroxylase (hPAH CD) in complex with iron at 1.6 Angstrom
分子名称: FE (III) ION, Phenylalanine-4-hydroxylase
著者Alcorlo Pages, M, Innselset Flydal, M.
登録日2018-09-21
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure of full-length human phenylalanine hydroxylase in complex with tetrahydrobiopterin.
Proc.Natl.Acad.Sci.USA, 116, 2019
5LS8
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BU of 5ls8 by Molmil
Light-activated ruthenium complex bound to a DNA quadruplex
分子名称: DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*A)-3'), POTASSIUM ION, delta-[Ru(tap2-dppz-CN)]2+, ...
著者McQuaid, K.T, Abell, H, Hall, J.P, Cardin, C.J.
登録日2016-08-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural Studies Reveal Enantiospecific Recognition of a DNA G-Quadruplex by a Ruthenium Polypyridyl Complex.
Angew.Chem.Int.Ed.Engl., 58, 2019
6BQE
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BU of 6bqe by Molmil
Low-resolution structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa in space group P4322.
分子名称: ACETATE ION, Arogenate dehydratase
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2017-11-27
公開日2017-12-13
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
5LD8
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BU of 5ld8 by Molmil
GSK3011724A cocrystallised with Mycobacterium tuberculosis H37Rv KasA
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者Chung, C.W, Neu, M.
登録日2016-06-23
公開日2016-09-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Identification of KasA as the cellular target of an anti-tubercular scaffold.
Nat Commun, 7, 2016
5NQ3
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BU of 5nq3 by Molmil
'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-PHE-GLU-ASP-LEU-THR-PHE-LEU-ALA, ...
著者Rizkallah, P.J, Tungatt, K, Sewell, A.K.
登録日2017-04-19
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
5NOC
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BU of 5noc by Molmil
Solution NMR Structure of the C-terminal domain of ParB (Spo0J)
分子名称: Stage 0 sporulation protein J
著者Higman, V.A, Fisher, G.L.M, Dillingham, M.S, Crump, M.P.
登録日2017-04-11
公開日2017-12-13
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The structural basis for dynamic DNA binding and bridging interactions which condense the bacterial centromere.
Elife, 6, 2017
6BD9
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BU of 6bd9 by Molmil
Saccharomyces cerevisiae acetohydroxyacid synthase
分子名称: Acetolactate synthase catalytic subunit, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Guddat, L.W, Lonhienne, T.
登録日2017-10-22
公開日2017-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism
Chemistryselect, 2017
6B2Q
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Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
分子名称: 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA
著者Zuccola, H.J.
登録日2017-09-20
公開日2018-02-14
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
6B3F
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BU of 6b3f by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
分子名称: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
著者Su, H.P.
登録日2017-09-21
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6BFA
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BU of 6bfa by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553
分子名称: 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2017-10-26
公開日2017-12-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
5NSE
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, HYDROXY-ARG COMPLEX
分子名称: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
登録日1999-01-13
公開日2002-05-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues
To be Published
5OCZ
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BU of 5ocz by Molmil
Free DNA_hairpin polyamides studies
分子名称: DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3')
著者Padroni, G, Parkinson, J, Burley, G.A.
登録日2017-07-04
公開日2017-12-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of DNA duplex distortion induced by thiazole-containing hairpin polyamides.
Nucleic Acids Res., 46, 2018
6IBQ
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Structure of a nonameric RNA duplex at room temperature in ChipX microfluidic device
分子名称: DNA/RNA (5'-R(*CP*GP*UP*GP*AP*UP*CP*G)-D(P*C)-3'), SULFATE ION
著者de Wijn, R, Olieric, V, Lorber, B, Sauter, C.
登録日2018-11-30
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019

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