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COAGULATION FACTOR XA INHIBITOR COMPLEX
分子名称:	(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, FACTOR XA
著者	Brandstetter, H, Engh, R.A.
登録日	1996-08-23
公開日	1997-10-29
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition. J.Biol.Chem., 271, 1996

1A85

MMP8 WITH MALONIC AND ASPARAGINE BASED INHIBITOR
分子名称:	CALCIUM ION, MMP-8, N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide, ...
著者	Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A.
登録日	1998-04-03
公開日	1999-04-27
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data. Protein Sci., 7, 1998

1A86

MMP8 WITH MALONIC AND ASPARTIC ACID BASED INHIBITOR
分子名称:	CALCIUM ION, MMP-8, N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine, ...
著者	Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A.
登録日	1998-04-03
公開日	1999-05-04
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data. Protein Sci., 7, 1998

1PFX

PORCINE FACTOR IXA
分子名称:	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, FACTOR IXA
著者	Brandstetter, H, Bauer, M, Huber, R, Lollar, P, Bode, W.
登録日	1995-07-19
公開日	1996-08-17
最終更新日	2013-02-27
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	X-ray structure of clotting factor IXa: active site and module structure related to Xase activity and hemophilia B. Proc.Natl.Acad.Sci.USA, 92, 1995

1JJ9

Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition
分子名称:	2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE, CALCIUM ION, Matrix Metalloproteinase 8, ...
著者	Brandstetter, H, Grams, F, Glitz, D, Lang, A, Huber, R, Bode, W, Krell, H.-W, Engh, R.A.
登録日	2001-07-04
公開日	2001-08-01
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	The 1.8-A crystal structure of a matrix metalloproteinase 8-barbiturate inhibitor complex reveals a previously unobserved mechanism for collagenase substrate recognition. J.Biol.Chem., 276, 2001

1K32

Crystal structure of the tricorn protease
分子名称:	tricorn protease
著者	Brandstetter, H, Kim, J.-S, Groll, M, Huber, R.
登録日	2001-10-01
公開日	2001-12-05
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Crystal structure of the tricorn protease reveals a protein disassembly line. Nature, 414, 2001

6FRR

Structural and immunological properties of the allergen Art v 3
分子名称:	Non-specific lipid-transfer protein, SULFATE ION
著者	Brandstetter, H, Soh, W.T, Magler, I.
登録日	2018-02-16
公開日	2019-03-13
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.948 Å)
主引用文献	Boiling down the cysteine-stabilized LTP fold - loss of structural and immunological integrity of allergenic Art v 3 and Pru p 3 as a consequence of irreversible lanthionine formation. Mol.Immunol., 116, 2019

1ETT

REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
分子名称:	4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide, EPSILON-THROMBIN
著者	Bode, W, Brandstetter, H.
登録日	1992-07-06
公開日	1994-01-31
最終更新日	2018-09-12
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. J.Mol.Biol., 226, 1992

1ETS

REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
分子名称:	1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
著者	Bode, W, Brandstetter, H.
登録日	1992-07-06
公開日	1994-01-31
最終更新日	2024-06-05
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. J.Mol.Biol., 226, 1992

1ETR

REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
分子名称:	EPSILON-THROMBIN, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
著者	Bode, W, Brandstetter, H.
登録日	1992-07-06
公開日	1994-01-31
最終更新日	2024-06-05
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. J.Mol.Biol., 226, 1992

4FGU

Crystal structure of prolegumain
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, Legumain
著者	Dall, E, Brandstetter, H.
登録日	2012-06-05
公開日	2013-07-03
最終更新日	2020-07-29
実験手法	X-RAY DIFFRACTION (3.9 Å)
主引用文献	Mechanistic and structural studies on legumain explain its zymogenicity, distinct activation pathways, and regulation. Proc.Natl.Acad.Sci.USA, 110, 2013

7Z5U

Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a hydroxamate-based inhibitor
分子名称:	(2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide, CALCIUM ION, Collagenase ColG, ...
著者	Schoenauer, E, Brandstetter, H.
登録日	2022-03-10
公開日	2022-11-09
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases. J.Med.Chem., 65, 2022

7ZBV

Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a diphosphonate-based inhibitor
分子名称:	CALCIUM ION, Collagenase ColG, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, ...
著者	Schoenauer, E, Brandstetter, H.
登録日	2022-03-24
公開日	2022-11-09
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases. J.Med.Chem., 65, 2022

7O1W

X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 1 M NaCl
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O, Brandstetter, H.
登録日	2021-03-30
公開日	2021-09-01
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	OFF-State-Specific Inhibition of the Proprotein Convertase Furin. Acs Chem.Biol., 16, 2021

7O1Y

X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 0.25 M NaCl
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者	Dahms, S.O, Brandstetter, H.
登録日	2021-03-30
公開日	2021-09-01
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	OFF-State-Specific Inhibition of the Proprotein Convertase Furin. Acs Chem.Biol., 16, 2021

8B4V

X-ray structure of furin (PCSK3) in complex with benzamidine
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, CALCIUM ION, ...
著者	Dahms, S.O, Brandstetter, H.
登録日	2022-09-21
公開日	2023-10-04
最終更新日	2024-05-15
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024

7O50

Crystal structure of human legumain in complex with Gly-Ser-Asn peptide
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, GLY-SER-ASN, ...
著者	Dall, E, Brandstetter, H.
登録日	2021-04-07
公開日	2021-09-22
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	The Peptide Ligase Activity of Human Legumain Depends on Fold Stabilization and Balanced Substrate Affinities. Acs Catalysis, 11, 2021

6TRK

Phl p 6 fold stabilized mutant - S46Y
分子名称:	Pollen allergen Phl p 6, ZINC ION
著者	Soh, W.T, Brandstetter, H.
登録日	2019-12-19
公開日	2020-08-12
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization. Front Immunol, 11, 2020

5JBC

Crystal structure of factor IXa variant V16I K98T Y177T I213V in complex with PPACK
分子名称:	CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
著者	Kristensen, L.H, Brandstetter, H.
登録日	2016-04-13
公開日	2016-06-01
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site. Biochem.J., 473, 2016

5JBA

Crystal structure of factor IXa variant V16I K98T Y177T I212V in complex with PPACK
分子名称:	CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者	Kristensen, L.H, Brandstetter, H.
登録日	2016-04-13
公開日	2016-06-01
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.4 Å)
主引用文献	Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site. Biochem.J., 473, 2016

5JB9

Crystal structure of factor IXa K98T variant in complex with PPACK
分子名称:	CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者	Kristensen, L.H, Brandstetter, H.
登録日	2016-04-13
公開日	2016-06-01
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.3 Å)
主引用文献	Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site. Biochem.J., 473, 2016

4N6L

Crystal structure of human cystatin E/M
分子名称:	Cystatin-M
著者	Dall, E, Brandstetter, H.
登録日	2013-10-14
公開日	2015-02-18
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.952 Å)
主引用文献	Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain. Angew.Chem.Int.Ed.Engl., 54, 2015

6FK0

Xray structure of domain-swapped cystatin E dimer
分子名称:	Cystatin-M
著者	Dall, E, Brandstetter, H.
登録日	2018-01-23
公開日	2018-07-11
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Structural and functional analysis of cystatin E reveals enzymologically relevant dimer and amyloid fibril states. J. Biol. Chem., 293, 2018

8OYH

X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-Can-Tle-Can-6-(aminomethyl)-3-amino-isoindol
分子名称:	CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者	Dahms, S.O, Brandstetter, H.
登録日	2023-05-04
公開日	2024-03-13
最終更新日	2024-05-15
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024

4N1J

Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions
分子名称:	GLYCEROL, NACHT, LRR and PYD domains-containing protein 14
著者	Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H.
登録日	2013-10-04
公開日	2014-07-16
最終更新日	2017-11-15
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions. Acta Crystallogr.,Sect.D, 70, 2014

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