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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

3LDX

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

1ANF

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

4MBP

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

3MBP

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

3C27

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

2ZA5

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

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

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

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

7K7Z

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

2AJL

X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor
分子名称:	1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4
著者	Qiao, L, Baumann, C.A, Crysler, C.S, Ninan, N.S, Abad, M.C, Spurlino, J.C, DesJarlais, R.L, Kervinen, J, Neeper, M.P, Bayoumy, S.S.
登録日	2005-08-02
公開日	2005-11-08
最終更新日	2023-08-23
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 16, 2006

1MNC

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

1QBV

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

3U6A

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

1DMB

REFINED 1.8 ANGSTROMS STRUCTURE REVEALS THE MECHANISM OF BINDING OF A CYCLIC SUGAR, BETA-CYCLODEXTRIN, TO THE MALTODEXTRIN BINDING PROTEIN
分子名称:	Cycloheptakis-(1-4)-(alpha-D-glucopyranose), D-MALTODEXTRIN BINDING PROTEIN
著者	Sharff, A.J, Quiocho, F.A.
登録日	1993-06-10
公開日	1993-10-31
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Refined 1.8-A structure reveals the mode of binding of beta-cyclodextrin to the maltodextrin binding protein. Biochemistry, 32, 1993

1OMP

CRYSTALLOGRAPHIC EVIDENCE OF A LARGE LIGAND-INDUCED HINGE-TWIST MOTION BETWEEN THE TWO DOMAINS OF THE MALTODEXTRIN-BINDING PROTEIN INVOLVED IN ACTIVE TRANSPORT AND CHEMOTAXIS
分子名称:	D-MALTODEXTRIN BINDING PROTEIN
著者	Sharff, A.J, Quiocho, F.A.
登録日	1992-09-14
公開日	1994-01-31
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Crystallographic evidence of a large ligand-induced hinge-twist motion between the two domains of the maltodextrin binding protein involved in active transport and chemotaxis. Biochemistry, 31, 1992

1MDQ

REFINED STRUCTURES OF TWO INSERTION(SLASH)DELETION MUTANTS PROBE FUNCTION OF THE MALTODEXTRIN BINDING PROTEIN
分子名称:	MALTODEXTRIN BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者	Sharff, A.J, Quiocho, F.A.
登録日	1994-08-10
公開日	1994-11-01
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Refined structures of two insertion/deletion mutants probe function of the maltodextrin binding protein. J.Mol.Biol., 246, 1995

3NCA

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

7V12

Factor XIa in Complex with Compound 2f
分子名称:	5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain
著者	Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日	2022-05-11
公開日	2022-08-03
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (1.631 Å)
主引用文献	Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022

7V0Z

Factor XIa in Complex with Compound 2a
分子名称:	Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
著者	Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日	2022-05-11
公開日	2022-08-03
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022

7V10

Factor XIa in Complex with Compound 2d
分子名称:	CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
著者	Shaffer, P.L, Spurlino, J, Milligan, C.M.
登録日	2022-05-11
公開日	2022-08-03
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (1.798 Å)
主引用文献	Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022

1LLS

CRYSTAL STRUCTURE OF UNLIGANDED MALTOSE BINDING PROTEIN WITH XENON
分子名称:	Maltose-binding periplasmic protein, XENON
著者	Rubin, S.M, Lee, S.-Y, Ruiz, E.J, Pines, A, Wemmer, D.E.
登録日	2002-04-30
公開日	2002-09-18
最終更新日	2023-08-16
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	DETECTION AND CHARACTERIZATION OF XENON-BINDING SITES IN PROTEINS BY 129XE NMR SPECTROSCOPY J.MOL.BIOL., 322, 2002

1MDP

REFINED STRUCTURES OF TWO INSERTION(SLASH)DELETION MUTANTS PROBE FUNCTION OF THE MALTODEXTRIN BINDING PROTEIN
分子名称:	MALTODEXTRIN BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者	Sharff, A.J, Quiocho, F.A.
登録日	1994-08-10
公開日	1994-11-01
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Refined structures of two insertion/deletion mutants probe function of the maltodextrin binding protein. J.Mol.Biol., 246, 1995

2I0Y

cFMS tyrosine kinase (FGF KID) in complex with an arylamide inhibitor
分子名称:	5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE, cFMS Tyrosine Kinase
著者	Schubert, C, Schalk-Hihi, C.
登録日	2006-08-11
公開日	2006-11-28
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Crystal structure of the tyrosine kinase domain of colony-stimulating factor-1 receptor (cFMS) in complex with two inhibitors. J.Biol.Chem., 282, 2007

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