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PDB: 163 件

4EA2
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Crystal structure of dehydrosqualene synthase (Crtm) aureus complexed with SQ-109
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, ...
著者Lin, F.-Y, Li, K, Liu, Y.-L, Oldfield, E.
登録日2012-03-21
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
7L8P
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Integrin alphaIIbbeta3 in complex with sibrafiban
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, CALCIUM ION, ...
著者Lin, F.-Y, Springer, T.A.
登録日2020-12-31
公開日2022-06-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.34995365 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
4EA0
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Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with diphosphate and quinuclidine BPH-651
分子名称: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase, L(+)-TARTARIC ACID, ...
著者Lin, F.-Y, Liu, Y.-L, Oldfield, E.
登録日2012-03-21
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4E9Z
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Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with quinuclidine BPH-651 in the S1 site
分子名称: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
著者Lin, F.-Y, Liu, Y.-L, Oldfield, E.
登録日2012-03-21
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4F6X
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Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112
分子名称: 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ...
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2012-05-15
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
4F6V
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Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp.
分子名称: (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid, Dehydrosqualene synthase, ...
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2012-05-15
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
3TFP
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Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162
分子名称: 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2011-08-16
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
3TFV
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Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154
分子名称: 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2011-08-16
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
3TFN
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Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1183
分子名称: (1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Lin, F.-Y, Liu, Y.-L, Oldfield, E.
登録日2011-08-16
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
6GBM
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Solution structure of FUS-RRM bound to stem-loop RNA
分子名称: RNA (5'-R(*GP*GP*CP*AP*GP*AP*UP*UP*AP*CP*AP*AP*UP*UP*CP*UP*AP*UP*UP*UP*GP*CP*C)-3'), RNA-binding protein FUS
著者Loughlin, F.E, Allain, F.H.-T.
登録日2018-04-15
公開日2019-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Solution Structure of FUS Bound to RNA Reveals a Bipartite Mode of RNA Recognition with Both Sequence and Shape Specificity.
Mol. Cell, 73, 2019
6G99
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Solution structure of FUS-ZnF bound to UGGUG
分子名称: RNA (5'-R(*UP*GP*GP*UP*G)-3'), RNA-binding protein FUS, ZINC ION
著者Loughlin, F.E, Allain, F.H.-T.
登録日2018-04-10
公開日2019-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Solution Structure of FUS Bound to RNA Reveals a Bipartite Mode of RNA Recognition with Both Sequence and Shape Specificity.
Mol. Cell, 73, 2019
6U8Z
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Crystal Structure of Catalytic Domain of Human Phospholipase D1
分子名称: PHOSPHITE ION, Phospholipase D1,Phospholipase D1
著者Bowling, F.Z, Airola, M.V.
登録日2019-09-06
公開日2020-03-18
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal structure of human PLD1 provides insight into activation by PI(4,5)P2and RhoA.
Nat.Chem.Biol., 16, 2020
5A5Z
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Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria
分子名称: BETA-LACTAMASE NDM-1, TIOPRONIN, ZINC ION
著者Klingler, F.M, Wichelhaus, T.A, Frank, D, Cuesta-Bernal, J, El-Delik, J, Mueller, H.F, Sjuts, H, Goettig, S, Koenigs, A, Pogoryelov, D, Proschak, E.
登録日2015-06-23
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.
J. Med. Chem., 58, 2015
7ZBQ
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BU of 7zbq by Molmil
Structure of the ADP-ribosyltransferase TccC3HVR from Photorhabdus Luminescens
分子名称: TccC3
著者Lindemann, F, Belyy, A, Friedrich, D, Schmieder, P, Bardiaux, B, Roderer, D, Funk, J, Protze, J, Bieling, P, Oschkinat, H, Raunser, S.
登録日2022-03-24
公開日2022-06-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Mechanism of threonine ADP-ribosylation of F-actin by a Tc toxin.
Nat Commun, 13, 2022
1YTT
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BU of 1ytt by Molmil
YB SUBSTITUTED SUBTILISIN FRAGMENT OF MANNOSE BINDING PROTEIN-A (SUB-MBP-A), MAD STRUCTURE AT 110K
分子名称: MANNOSE-BINDING PROTEIN A, YTTERBIUM (III) ION
著者Burling, F.T, Weis, W.I, Flaherty, K.M, Brunger, A.T.
登録日1995-11-09
公開日1996-06-10
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of protein solvation and discrete disorder with experimental crystallographic phases.
Science, 271, 1996
5TBG
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The Solution Structure of the Magnesium-bound Conantokin-R1B Mutant
分子名称: Conantokin-R1B
著者Castellino, F.J, Yuan, Y.
登録日2016-09-12
公開日2017-06-28
最終更新日2019-12-04
実験手法SOLUTION NMR
主引用文献Discerning the Role of the Hydroxyproline Residue in the Structure of Conantokin Rl-B and Its Role in GluN2B Subunit-Selective Antagonistic Activity toward N-Methyl-d-Aspartate Receptors.
Biochemistry, 55, 2016
7LVS
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The CBP TAZ1 Domain in Complex with a CITED2-HIF-1-Alpha Fusion Peptide
分子名称: Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone lysine acetyltransferase CREBBP, ZINC ION
著者Appling, F.D, Berlow, R.B, Stanfield, R.L, Dyson, H.J, Wright, P.E.
登録日2021-02-26
公開日2021-07-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The molecular basis of allostery in a facilitated dissociation process.
Structure, 29, 2021
5TBQ
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The Solution Structure of the Magnesium-bound Conantokin-R1B Mutant
分子名称: Conantokin
著者Castellino, F.J, Yuan, Y.
登録日2016-09-12
公開日2017-06-28
最終更新日2019-12-04
実験手法SOLUTION NMR
主引用文献Discerning the Role of the Hydroxyproline Residue in the Structure of Conantokin Rl-B and Its Role in GluN2B Subunit-Selective Antagonistic Activity toward N-Methyl-d-Aspartate Receptors.
Biochemistry, 55, 2016
5TBR
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BU of 5tbr by Molmil
The Solution Structure of the Magnesium-bound Conantokin-R1B Mutant
分子名称: Conantokin-R1-B
著者Castellino, F.J, Yuan, Y.
登録日2016-09-12
公開日2017-06-28
最終更新日2019-12-04
実験手法SOLUTION NMR
主引用文献Discerning the Role of the Hydroxyproline Residue in the Structure of Conantokin Rl-B and Its Role in GluN2B Subunit-Selective Antagonistic Activity toward N-Methyl-d-Aspartate Receptors.
Biochemistry, 55, 2016
6BZK
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BU of 6bzk by Molmil
Solution structure of KTI55
分子名称: M protein
著者Castellino, F.J, Qiu, C, Yuan, Y.
登録日2017-12-24
公開日2019-01-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Contributions of different modules of the plasminogen-binding Streptococcus pyogenes M-protein that mediate its functional dimerization.
J.Struct.Biol., 204, 2018
2QHX
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Structure of Pteridine Reductase from Leishmania major complexed with a ligand
分子名称: IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N.
登録日2007-07-03
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development.
Proc.Natl.Acad.Sci.USA, 105, 2008
3G9Y
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Crystal structure of the second zinc finger from ZRANB2/ZNF265 bound to 6 nt ssRNA sequence AGGUAA
分子名称: RNA (5'-R(*AP*GP*GP*UP*AP*A)-3'), ZINC ION, Zinc finger Ran-binding domain-containing protein 2
著者Loughlin, F.E, McGrath, A.P, Lee, M, Guss, J.M, Mackay, J.P.
登録日2009-02-15
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The zinc fingers of the SR-like protein ZRANB2 are single-stranded RNA-binding domains that recognize 5' splice site-like sequences
Proc.Natl.Acad.Sci.USA, 106, 2009
2K1P
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Solution structure of the second zinc finger domain of ZRANB2/ZNF265
分子名称: ZINC ION, Zinc finger Ran-binding domain-containing protein 2
著者Loughlin, F.E, Mackay, J.P.
登録日2008-03-13
公開日2009-03-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The zinc fingers of the SR-proein ZRANB2 recognize 5'splice site-like sequences and constitute a distinct class of RNA binding domain
To be Published
4UV2
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Structure of the curli transport lipoprotein CsgG in a non-lipidated, pre-pore conformation
分子名称: CURLI PRODUCTION TRANSPORT COMPONENT CSGG
著者Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H.
登録日2014-08-04
公開日2014-09-24
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg.
Nature, 516, 2014
6LKA
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Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds
分子名称: 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
著者Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H.
登録日2019-12-18
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent.
Bioorg.Med.Chem., 28, 2020

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