Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1BIL
DownloadVisualize
BU of 1bil by Molmil
CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS
分子名称: (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide, Renin
著者Tong, L.
登録日1995-09-27
公開日1996-01-29
最終更新日2022-03-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors.
J.Biol.Chem., 270, 1995
1CZI
DownloadVisualize
BU of 1czi by Molmil
CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972
分子名称: CHYMOSIN, CP-113972 (NORSTATINE-S-METHYL CYSTEINE-IODO-PHENYLALANINE-PROLINE)
著者Groves, M.R, Dhanaraj, V, Pitts, J.E, Badasso, M, Hoover, D, Nugent, P, Blundell, T.L.
登録日1997-01-15
公開日1997-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A 2.3 A resolution structure of chymosin complexed with a reduced bond inhibitor shows that the active site beta-hairpin flap is rearranged when compared with the native crystal structure.
Protein Eng., 11, 1998
1PSN
DownloadVisualize
BU of 1psn by Molmil
THE CRYSTAL STRUCTURE OF HUMAN PEPSIN AND ITS COMPLEX WITH PEPSTATIN
分子名称: PEPSIN 3A
著者Fujinaga, M, Chernaia, M.M, Tarasova, N, Mosimann, S.C, James, M.N.G.
登録日1995-01-23
公開日1995-04-20
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human pepsin and its complex with pepstatin.
Protein Sci., 4, 1995
1PSO
DownloadVisualize
BU of 1pso by Molmil
The crystal structure of human pepsin and its complex with pepstatin
分子名称: PEPSIN 3A, PEPSTATIN
著者Fujinaga, M, Chernaia, M.M, Tarasova, N, Mosimann, S.C, James, M.N.G.
登録日1995-01-23
公開日1995-04-20
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human pepsin and its complex with pepstatin.
Protein Sci., 4, 1995
1QRP
DownloadVisualize
BU of 1qrp by Molmil
Human pepsin 3A in complex with a phosphonate inhibitor IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME
分子名称: PEPSIN 3A, methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate
著者Fujinaga, M, Cherney, M.M, Tarasova, N.I, Bartlett, P.A, Hanson, J.E, James, M.N.G.
登録日1999-06-15
公開日1999-06-18
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural study of the complex between human pepsin and a phosphorus-containing peptidic -transition-state analog.
Acta Crystallogr.,Sect.D, 56, 2000
1QS8
DownloadVisualize
BU of 1qs8 by Molmil
Crystal structure of the P. vivax aspartic proteinase plasmepsin complexed with the inhibitor pepstatin A
分子名称: ACETATE ION, PEPSTATIN A, PLASMEPSIN
著者Khazanovich Bernstein, N, Cherney, M.M, Yowell, C.A, Dame, J.B, James, M.N.G.
登録日1999-06-25
公開日1999-07-07
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the activation of P. vivax plasmepsin.
J.Mol.Biol., 329, 2003
1PPM
DownloadVisualize
BU of 1ppm by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES
分子名称: N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-L-alaninamide, PENICILLOPEPSIN, SULFATE ION, ...
著者Fraser, M.E, James, M.N.G.
登録日1992-06-01
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
1PPK
DownloadVisualize
BU of 1ppk by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHOROUS-CONTAINING PEPTIDE ANALOGUES
分子名称: DIMETHYLFORMAMIDE, N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide, PENICILLOPEPSIN, ...
著者Strynadka, N.C.J, James, M.N.G.
登録日1994-01-20
公開日1994-05-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
1PSA
DownloadVisualize
BU of 1psa by Molmil
STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE INHIBITOR
分子名称: N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide, PEPSIN A
著者Chen, L, Abad-Zapatero, C.
登録日1991-10-22
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of a pepsin/renin inhibitor complex reveals a novel crystal packing induced by minor chemical alterations in the inhibitor.
Acta Crystallogr.,Sect.B, 48, 1992
1SME
DownloadVisualize
BU of 1sme by Molmil
PLASMEPSIN II, A HEMOGLOBIN-DEGRADING ENZYME FROM PLASMODIUM FALCIPARUM, IN COMPLEX WITH PEPSTATIN A
分子名称: PLASMEPSIN II, Pepstatin
著者Silva, A.M, Lee, A.Y, Gulnik, S.V, Goldberg, D.E, Erickson, J.W.
登録日1996-06-11
公開日1997-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from Plasmodium falciparum.
Proc.Natl.Acad.Sci.USA, 93, 1996
1PPL
DownloadVisualize
BU of 1ppl by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES
分子名称: N-(3-methylbutanoyl)-L-valyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L- valinamide, PENICILLOPEPSIN, SULFATE ION, ...
著者Fraser, M.E, James, M.N.G.
登録日1992-06-01
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
1SGZ
DownloadVisualize
BU of 1sgz by Molmil
Crystal Structure of Unbound Beta-Secretase Catalytic Domain.
分子名称: Beta-secretase
著者Hong, L, Tang, J.
登録日2004-02-24
公開日2004-05-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flap Position of Free Memapsin 2 (beta-Secretase), a Model for Flap Opening in Aspartic Protease Catalysis
Biochemistry, 43, 2004
1SMR
DownloadVisualize
BU of 1smr by Molmil
The 3-d structure of mouse submaxillary renin complexed with a decapeptide inhibitor ch-66 based on the 4-16 fragment of rat angiotensinogen
分子名称: INHIBITOR CH-66, RENIN
著者Dealwis, C.G, Blundell, T.L.
登録日1992-03-11
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray analysis at 2.0 A resolution of mouse submaxillary renin complexed with a decapeptide inhibitor CH-66, based on the 4-16 fragment of rat angiotensinogen.
J.Mol.Biol., 236, 1994
1PFZ
DownloadVisualize
BU of 1pfz by Molmil
PROPLASMEPSIN II FROM PLASMODIUM FALCIPARUM
分子名称: GLYCEROL, PROPLASMEPSIN II
著者Bernstein, N.K, Cherney, M.M, Loetscher, H, Ridley, R.G, James, M.N.G.
登録日1998-07-07
公開日1999-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the novel aspartic proteinase zymogen proplasmepsin II from plasmodium falciparum.
Nat.Struct.Biol., 6, 1999
1RNE
DownloadVisualize
BU of 1rne by Molmil
THE CRYSTAL STRUCTURE OF RECOMBINANT GLYCOSYLATED HUMAN RENIN ALONE AND IN COMPLEX WITH A TRANSITION STATE ANALOG INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN, [[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE
著者Gruetter, M.G, Rahuel, J, Priestle, J.P.
登録日1991-12-12
公開日1993-10-31
最終更新日2020-10-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structures of recombinant glycosylated human renin alone and in complex with a transition state analog inhibitor.
J.Struct.Biol., 107, 1991
2JJJ
DownloadVisualize
BU of 2jjj by Molmil
Endothiapepsin in complex with a gem-diol inhibitor.
分子名称: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
著者Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J.
登録日2008-04-09
公開日2008-05-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
2JJI
DownloadVisualize
BU of 2jji by Molmil
Endothiapepsin in complex with a gem-diol inhibitor.
分子名称: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
著者Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J.
登録日2008-04-09
公開日2008-05-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
2JXR
DownloadVisualize
BU of 2jxr by Molmil
STRUCTURE OF YEAST PROTEINASE A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide, PROTEINASE A, ...
著者Aguilar, C.F, Badasso, M, Dreyer, T, Cronin, N.B, Newman, M.P, Cooper, J.B, Hoover, D.J, Wood, S.P, Johnson, M.S, Blundell, T.L.
登録日1997-04-24
公開日1997-10-29
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The three-dimensional structure at 2.4 A resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cerevisiae.
J.Mol.Biol., 267, 1997
2NR6
DownloadVisualize
BU of 2nr6 by Molmil
Crystal structure of the complex of antibody and the allergen Bla g 2
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, Antibody heavy chain, ...
著者Li, M, Gustchina, A, Wlodawer, A, Pomes, A, Wunschmann, S.
登録日2006-11-01
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal structure of a dimerized cockroach allergen Bla g 2 complexed with a monoclonal antibody.
J.Biol.Chem., 283, 2008
2OF0
DownloadVisualize
BU of 2of0 by Molmil
X-ray crystal structure of beta secretase complexed with compound 5
分子名称: (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Patel, S.
登録日2007-01-02
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHR
DownloadVisualize
BU of 2ohr by Molmil
X-ray crystal structure of beta secretase complexed with compound 6a
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OAH
DownloadVisualize
BU of 2oah by Molmil
Crystal Structure of Human Beta Secretase Complexed with inhibitor
分子名称: Beta-secretase 1, N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
著者Munshi, S.
登録日2006-12-15
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and SAR of isonicotinamide BACE-1 inhibitors that bind beta-secretase in a N-terminal 10s-loop down conformation.
Bioorg.Med.Chem.Lett., 17, 2007
2OHL
DownloadVisualize
BU of 2ohl by Molmil
X-ray crystal structure of beta secretase complexed with 2-aminoquinoline
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHN
DownloadVisualize
BU of 2ohn by Molmil
X-ray crystal structure of beta secretase complexed with 4-(4-fluorobenzyl)piperidine
分子名称: 4-(4-FLUOROBENZYL)PIPERIDINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2NTR
DownloadVisualize
BU of 2ntr by Molmil
Crystal structure of Human Bace-1 bound to inhibitor
分子名称: (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine, Beta-secretase 1
著者Munshi, S.
登録日2006-11-08
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Beta-secretase (BACE-1) inhibitors: accounting for 10s loop flexibility using rigid active sites.
Bioorg.Med.Chem.Lett., 17, 2007

221716

件を2024-06-26に公開中

PDB statisticsPDBj update infoContact PDBjnumon