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3II2
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Structure of ORF157 from Acidianus Filamentous Virus 1
分子名称: CHLORIDE ION, GLYCEROL, MERCURY (II) ION, ...
著者Goulet, A, Porciero, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
登録日2009-07-31
公開日2010-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
3II3
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Structure of ORF157 from Acidianus filamentous Virus 1
分子名称: GLYCEROL, NICKEL (II) ION, Putative uncharacterized protein
著者Goulet, A, Redder, P, Pina, M, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
登録日2009-07-31
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
7AMZ
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Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide
分子名称: 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A.
登録日2020-10-10
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
6H2A
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BU of 6h2a by Molmil
Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the presence of DTT
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Beta-lactamase, GLYCEROL, ...
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2018-07-13
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
4K34
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Crystal structures of CusC review conformational changes accompanying folding and transmembrane channel formation
分子名称: Cation efflux system protein CusC
著者Su, C.-C.
登録日2013-04-10
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystal Structures of CusC Review Conformational Changes Accompanying Folding and Transmembrane Channel Formation.
J.Mol.Biol., 426, 2014
7RT7
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Crystal structure of the RhsP2 C-terminal toxin domain in complex with its immunity protein, RhsI2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhsI2, RhsP2
著者Bullen, N.P, Prehna, G, Whitney, J.C.
登録日2021-08-12
公開日2022-08-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An ADP-ribosyltransferase toxin kills bacterial cells by modifying structured non-coding RNAs.
Mol.Cell, 82, 2022
4WJG
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Structure of T. brucei haptoglobin-hemoglobin receptor binding to human haptoglobin-hemoglobin
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, Haptoglobin, ...
著者Stoedkilde, K, Torvund-Jensen, M, Moestrup, S.K, Andersen, C.B.F.
登録日2014-09-30
公開日2014-11-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for trypanosomal haem acquisition and susceptibility to the host innate immune system.
Nat Commun, 5, 2014
5W56
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Structure of Apo AztC
分子名称: GLYCEROL, Periplasmic solute binding protein, SODIUM ION
著者Avalos, D, Yukl, E.T.
登録日2017-06-14
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD.
J. Biol. Chem., 292, 2017
6E7K
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Structure of the lipoprotein lipase GPIHBP1 complex that mediates plasma triglyceride hydrolysis
分子名称: 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, CALCIUM ION, ...
著者Birrane, G, Meiyappan, M.
登録日2018-07-26
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the lipoprotein lipase-GPIHBP1 complex that mediates plasma triglyceride hydrolysis.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6BBU
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Crystal Structure of JAK1 in complex with compound 25
分子名称: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1
著者Han, S.
登録日2017-10-19
公開日2018-01-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
3KE6
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The crystal structure of the RsbU and RsbW domains of Rv1364c from Mycobacterium tuberculosis
分子名称: GLYCEROL, MANGANESE (II) ION, Protein Rv1364c/MT1410, ...
著者King-Scott, J, Panjikar, S, Tucker, P.A.
登録日2009-10-24
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of the RsbU and RsbW domains of Rv1364c from Mycobacterium tuberculosis
To be Published
6I46
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Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
分子名称: (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
登録日2018-11-09
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6BBV
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BU of 6bbv by Molmil
Crystal Structure of JAK2 in complex with compound 25
分子名称: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2
著者Han, S.
登録日2017-10-19
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
5TQ5
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Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase JAK2
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
8IXM
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BU of 8ixm by Molmil
Pseudomoans Aerugiona Wildtype Ketopantoate Reductase ternary complex with NADP+ and alpha-Ketoisocaproic acid
分子名称: 2-OXO-4-METHYLPENTANOIC ACID, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-dehydropantoate 2-reductase, ...
著者Choudhury, G.B, Datta, S.
登録日2023-04-01
公開日2024-04-03
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Implication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile alpha-Keto-Acid Reductase.
Biochemistry, 63, 2024
8IXH
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Pseudomoans aeruginosa Wildtype Ketopantoate Reductase With 3-Methyl-2-oxovalerate at substrate site
分子名称: (3S)-3-methyl-2-oxopentanoic acid, 2-dehydropantoate 2-reductase, GLYCEROL
著者Choudhury, G.B, Datta, S.
登録日2023-04-01
公開日2024-04-03
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Implication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile alpha-Keto-Acid Reductase.
Biochemistry, 63, 2024
5TQ3
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Design and Synthesis of a pan-JAK kinase inhibitor clinical candidate (PF-06263276) suitable for the treatment of inflammatory diseases of the lungs and skin
分子名称: 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-ethylphenol, Tyrosine-protein kinase JAK2
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ6
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BU of 5tq6 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: Tyrosine-protein kinase JAK2, {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ4
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BU of 5tq4 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: 6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase JAK2
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
6H0B
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BU of 6h0b by Molmil
Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ...
著者de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R.
登録日2018-07-08
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
6H28
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Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the absence of DTT
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2018-07-13
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
4OXK
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Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer
分子名称: 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
登録日2014-02-05
公開日2014-04-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8429 Å)
主引用文献A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
8GRW
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Spiroplasma melliferum FtsZ F224M bound to GDP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
著者Chakraborty, J, Pananghat, G.
登録日2022-09-02
公開日2023-09-06
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.40005422 Å)
主引用文献Dynamics of interdomain rotation facilitates FtsZ filament assembly.
J.Biol.Chem., 300, 2024
6H2K
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Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam.
分子名称: ACETATE ION, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ...
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2018-07-13
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
3L2R
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Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium
分子名称: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
著者Hare, S, Gupta, S.S, Cherepanov, P.
登録日2009-12-15
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010

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