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PDB: 1029 件
3BZ9
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Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
分子名称: (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Allingham, J.S, Rayment, I.
登録日2008-01-17
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
3BZ8
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Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
分子名称: (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Allingham, J.S, Rayment, I.
登録日2008-01-17
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
3BZ7
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Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
分子名称: (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Allingham, J.S, Rayment, I.
登録日2008-01-17
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
1WBM
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HIV-1 protease in complex with symmetric inhibitor, BEA450
分子名称: (2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE, POL PROTEIN (FRAGMENT)
著者Lindberg, J, Unge, T.
登録日2004-11-02
公開日2004-11-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 Protease in Complex with Symmetric Inhibitor, Bea450
To be Published
1S22
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Absolute Stereochemistry of Ulapualide A
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Allingham, J.S, Tanaka, J, Marriott, G, Rayment, I.
登録日2004-01-07
公開日2004-02-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Absolute stereochemistry of ulapualide A
Org.Lett., 6, 2004
6BBN
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Crystal structure of a curved tubulin complex induced by the kinesin-13 Kif2A
分子名称: DARPin, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Allingham, J.S, Trofimova, D.
登録日2017-10-19
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.514 Å)
主引用文献Ternary complex of Kif2A-bound tandem tubulin heterodimers represents a kinesin-13-mediated microtubule depolymerization reaction intermediate.
Nat Commun, 9, 2018
1WBK
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HIV-1 protease in complex with asymmetric inhibitor, BEA568
分子名称: N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL], POL PROTEIN (FRAGMENT)
著者Lindberg, J, Unge, T.
登録日2004-11-02
公開日2004-11-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 Protease in Complex with Asymmetric Inhibitor, Bea568
To be Published
1TJZ
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Solution Structure of the Active Site Stem-Loop of the VS Ribozyme
分子名称: VS Ribozyme
著者Flinders, J, Dieckmann, T.
登録日2004-06-07
公開日2004-09-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the VS ribozyme active site loop reveals a dynamic "hot-spot"
J.Mol.Biol., 341, 2004
1TCK
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STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
分子名称: MU-CONOTOXIN GIIIA
著者Lancelin, J.-M, Kohda, D, Inagaki, F.
登録日1992-12-12
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
1TCH
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STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
分子名称: MU-CONOTOXIN GIIIA
著者Lancelin, J.-M, Kohda, D, Inagaki, F.
登録日1992-12-12
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
1W5X
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HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
分子名称: (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN
著者Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
登録日2004-08-10
公開日2004-12-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
4K5A
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BU of 4k5a by Molmil
Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W
分子名称: Bcl-2-like protein 2, Designed Ankyrin Repeat Protein 013_D12
著者Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A.
登録日2013-04-14
公開日2014-04-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W
J.Mol.Biol., 426, 2014
2BO6
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DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE
分子名称: (2R)-2,3-DIHYDROXYPROPANOIC ACID, MANGANESE (II) ION, MANNOSYLGLYCERATE SYNTHASE
著者Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
登録日2005-04-08
公開日2005-06-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Dissection and High-Throughput Screening of Mannosylglyceerate Synthase
Nat.Struct.Mol.Biol., 12, 2005
1IKX
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K103N Mutant HIV-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721
分子名称: 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE, POL POLYPROTEIN
著者Lindberg, J, Unge, T.
登録日2001-05-07
公開日2001-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Eur.J.Biochem., 269, 2002
4GMI
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BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571
分子名称: (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, ACETATE ION, Beta-secretase 1, ...
著者Lindberg, J.D, Derbyshire, D.
登録日2012-08-16
公開日2013-09-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of novel BACE-1 inhibitors
To be Published
1IKV
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K103N Mutant HIV-1 Reverse Transcriptase in Complex with Efivarenz
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, POL POLYPROTEIN
著者Lindberg, J, Unge, T.
登録日2001-05-07
公開日2001-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Eur.J.Biochem., 269, 2002
1IKY
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HIV-1 Reverse Transcriptase in Complex with the Inhibitor MSC194
分子名称: 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA, POL POLYPROTEIN
著者Lindberg, J, Unge, T.
登録日2001-05-07
公開日2001-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Eur.J.Biochem., 269, 2002
2BO7
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DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE
分子名称: COBALT (II) ION, GUANOSINE-5'-DIPHOSPHATE, MANNOSYLGLYCERATE SYNTHASE
著者Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
登録日2005-04-08
公開日2005-06-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural dissection and high-throughput screening of mannosylglycerate synthase.
Nat. Struct. Mol. Biol., 12, 2005
2BO8
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DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE
分子名称: CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER, ...
著者Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
登録日2005-04-08
公開日2005-06-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural dissection and high-throughput screening of mannosylglycerate synthase.
Nat. Struct. Mol. Biol., 12, 2005
3LDX
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Discovery and Clinical Evaluation of RWJ-671818, a Thrombin Inhibitor with an Oxyguanidine P1 Motif
分子名称: Hirudin variant-1, N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide, Thrombin heavy chain, ...
著者Spurlino, J.C.
登録日2010-01-13
公開日2011-08-10
最終更新日2017-07-19
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Discovery and Clinical Evaluation of RWJ-671818, a Thrombin Inhibitor with an Oxyguanidine P1 Motif
To be Published
1Z2T
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NMR structure study of anchor peptide Ser65-Leu87 of enzyme acholeplasma laidlawii Monoglycosyldiacyl Glycerol Synthase (alMGS) in DHPC micelles
分子名称: Anchor peptide Ser65-Leu87 of alMGS
著者Lind, J, Barany-Wallje, E, Ramo, T, Wieslander, A, Maler, L.
登録日2005-03-09
公開日2006-03-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure, position of and membrane-interaction of a putative membrane-anchoring domain of alMGS
To be Published
4H1G
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Structure of Candida albicans Kar3 motor domain fused to maltose-binding protein
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Allingham, J.A, Duan, D, Delorme, C, Joshi, M.
登録日2012-09-10
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the Candida albicans Kar3 kinesin motor domain fused to maltose-binding protein.
Biochem.Biophys.Res.Commun., 428, 2012
1W6H
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Novel plasmepsin II-inhibitor complex
分子名称: N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2
著者Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T.
登録日2004-08-18
公開日2006-07-05
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
1HWQ
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SOLUTION STRUCTURE OF THE VS RIBOZYME SUBSTRATE STEM-LOOP
分子名称: VS RIBOZYME SUBSTRATE RNA
著者Flinders, J.C, Dieckmann, T.
登録日2001-01-09
公開日2001-05-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A pH controlled conformational switch in the cleavage site of the VS ribozyme substrate RNA.
J.Mol.Biol., 308, 2001
2BO4
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Dissection of mannosylglycerate synthase: an archetypal mannosyltransferase
分子名称: CITRATE ANION, MANNOSYLGLYCERATE SYNTHASE
著者Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
登録日2005-04-07
公開日2005-06-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Dissection and High-Throughput Screening of Mannosylglyceerate Synthase
Nat.Struct.Mol.Biol., 12, 2005

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