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PDB: 27 件
2LL5
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Cyclo-TC1 Trp-cage
分子名称: Cyclo-TC1
著者Lin, J.C, Scian, M, Andersen, N.H.
登録日2011-10-26
公開日2012-07-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
3MBP
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MALTODEXTRIN-BINDING PROTEIN WITH BOUND MALTOTRIOSE
分子名称: MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Spurlino, J.C, Quiocho, F.A.
登録日1997-06-25
公開日1997-12-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor.
Structure, 5, 1997
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
4MBP
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MALTODEXTRIN BINDING PROTEIN WITH BOUND MALTETROSE
分子名称: MALTODEXTRIN BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Spurlino, J.C, Quiocho, F.A.
登録日1997-08-17
公開日1998-02-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor.
Structure, 5, 1997
3C27
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Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors
分子名称: Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ...
著者Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C.
登録日2008-01-24
公開日2009-02-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.182 Å)
主引用文献Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors
To be Published
1ANF
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MALTODEXTRIN BINDING PROTEIN WITH BOUND MALTOSE
分子名称: MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Spurlino, J.C, Quiocho, F.A.
登録日1997-06-25
公開日1997-12-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor.
Structure, 5, 1997
3U6A
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Rational Design and Synthesis of Aminopiperazinones as Beta Secretase (BACE) Inhibitors
分子名称: Beta-secretase 1, N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide, SULFATE ION
著者Spurlino, J.C, Alexander, R.S.
登録日2011-10-12
公開日2011-11-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Rational design and synthesis of aminopiperazinones as beta-secretase (BACE) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
1HFC
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1.56 ANGSTROM STRUCTURE OF MATURE TRUNCATED HUMAN FIBROBLAST COLLAGENASE
分子名称: CALCIUM ION, FIBROBLAST COLLAGENASE, METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID, ...
著者Spurlino, J.C, Smith, D.L.
登録日1994-09-13
公開日1995-01-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献1.56 A structure of mature truncated human fibroblast collagenase.
Proteins, 19, 1994
2ZA5
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Crystal Structure of human tryptase with potent non-peptide inhibitor
分子名称: (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2
著者Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C.
登録日2007-10-02
公開日2008-02-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
2ZEB
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Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
分子名称: 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine, Tryptase beta 2
著者Spurlino, J.C, Lewandowski, F, Milligan, C.
登録日2007-12-08
公開日2008-12-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
2ZEC
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Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
分子名称: 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2
著者Spurlino, J.C, Lewandowski, F, Milligan, C.
登録日2007-12-08
公開日2008-12-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.059 Å)
主引用文献Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
7K7L
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BU of 7k7l by Molmil
Structure of a hit for G Protein Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
分子名称: 3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Spurlino, J.C, Milligan, C.
登録日2020-09-23
公開日2020-10-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.539 Å)
主引用文献Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor.
Bioorg.Med.Chem.Lett., 30, 2020
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
7K7Z
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Structure of a hit for G Protein Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
分子名称: 3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Spurlino, J.C, Milligan, C.
登録日2020-09-24
公開日2020-10-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.606087 Å)
主引用文献Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor.
Bioorg.Med.Chem.Lett., 30, 2020
3NCA
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BU of 3nca by Molmil
X-ray structure of ketohexokinase in complex with a thieno pyridinol compound
分子名称: Ketohexokinase, SULFATE ION, thieno[3,2-b]pyridin-7-ol
著者Abad, M.C, Gibbs, A.C, Spurlino, J.C.
登録日2010-06-04
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
1QBV
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BU of 1qbv by Molmil
CRYSTAL STRUCTURE OF THROMBIN COMPLEXED WITH AN GUANIDINE-MIMETIC INHIBITOR
分子名称: Hirudin, THROMBIN (HEAVY CHAIN), THROMBIN (LIGHT CHAIN), ...
著者Bone, R, Lu, T, Illig, C.R, Soll, R.M, Spurlino, J.C.
登録日1999-04-27
公開日1999-10-27
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of thrombin complexed with potent inhibitors incorporating a phenyl group as a peptide mimetic and aminopyridines as guanidine substitutes.
J.Med.Chem., 41, 1998
3NBW
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X-ray structure of ketohexokinase in complex with a pyrazole compound
分子名称: 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile, GLYCEROL, Ketohexokinase, ...
著者Abad, M.C, Gibbs, A.C, Spurlino, J.C.
登録日2010-06-04
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC2
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X-ray structure of ketohexokinase with a quinazoline
分子名称: Ketohexokinase, SULFATE ION, quinazoline
著者Abad, M.C, Gibbs, A.C, Spurlino, J.C.
登録日2010-06-04
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC9
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X-ray structure of ketohexokinase complexed with an indazole compound
分子名称: Ketohexokinase, N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide, SULFATE ION
著者Abad, M.C, Gibbs, A.C, Spurlino, J.C.
登録日2010-06-04
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
1MNC
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STRUCTURE OF HUMAN NEUTROPHIL COLLAGENASE REVEALS LARGE S1' SPECIFICITY POCKET
分子名称: CALCIUM ION, METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID, NEUTROPHIL COLLAGENASE, ...
著者Stams, T, Spurlino, J.C, Smith, D.L, Rubin, B.
登録日1994-01-12
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of human neutrophil collagenase reveals large S1' specificity pocket.
Nat.Struct.Biol., 1, 1994
3DWQ
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Crystal structure of the A-subunit of the AB5 toxin from E. coli with Neu5Gc-2,3Gal-1,3GlcNAc
分子名称: AZIDE ION, N-PROPANOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ...
著者Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T.
登録日2008-07-22
公開日2008-11-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
3DWA
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Crystal structure of the B-subunit of the AB5 toxin from E. coli
分子名称: PENTAETHYLENE GLYCOL, Subtilase cytotoxin, subunit B
著者Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T.
登録日2008-07-22
公開日2008-11-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.084 Å)
主引用文献Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
3DWP
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Crystal structure of the B-subunit of the AB5 toxin from E. Coli with Neu5Gc
分子名称: N-glycolyl-alpha-neuraminic acid, PENTAETHYLENE GLYCOL, Subtilase cytotoxin, ...
著者Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T.
登録日2008-07-22
公開日2008-11-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
2QDF
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Structure of N-terminal domain of E. Coli YaeT
分子名称: MAGNESIUM ION, Outer membrane protein assembly factor yaeT
著者Kim, S, Malinverni, J.C, Sliz, P, Silhavy, T.J, Harrison, S.C, Kahne, D.
登録日2007-06-20
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and function of an essential component of the outer membrane protein assembly machine.
Science, 317, 2007
2QCZ
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Structure of N-terminal domain of E. Coli YaeT
分子名称: Outer membrane protein assembly factor yaeT
著者Kim, S, Malinverni, J.C, Sliz, P, Silhavy, T.J, Harrison, S.C, Kahne, D.
登録日2007-06-20
公開日2007-08-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and function of an essential component of the outer membrane protein assembly machine.
Science, 317, 2007

 

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