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Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709)
分子名称:	DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
著者	Koh, C.-Y, Hol, W.G.J.
登録日	2015-05-14
公開日	2016-05-04
最終更新日	2024-11-06
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors. Acs Infect Dis., 2, 2016

3E33

Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 7
分子名称:	FARNESYL DIPHOSPHATE, N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide, Protein farnesyltransferase subunit beta, ...
著者	Hast, M.A, Beese, L.S.
登録日	2008-08-06
公開日	2009-03-10
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase. Chem.Biol., 16, 2009

3E37

Protein farnesyltransferase complexed with bisubstrate ethylenediamine scaffold inhibitor 5
分子名称:	Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ZINC ION, ...
著者	Hast, M.A, Beese, L.S.
登録日	2008-08-06
公開日	2009-03-10
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase. Chem.Biol., 16, 2009

3E32

Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 2
分子名称:	FARNESYL DIPHOSPHATE, N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide, Protein farnesyltransferase subunit beta, ...
著者	Hast, M.A, Beese, L.S.
登録日	2008-08-06
公開日	2009-03-10
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase. Chem.Biol., 16, 2009

3E34

Protein farnesyltransferase complexed with FPP and ethylenediamine-scaffold inhibitor 10
分子名称:	3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ...
著者	Hast, M.A, Beese, L.S.
登録日	2008-08-06
公開日	2009-03-10
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase. Chem.Biol., 16, 2009

3E30

Protein farnesyltransferase complexed with FPP and ethylene diamine inhibitor 4
分子名称:	FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
著者	Hast, M.A, Beese, L.S.
登録日	2008-08-06
公開日	2009-03-10
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase. Chem.Biol., 16, 2009

1GYQ

CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE FROM LEISHMANIA MEXICANA IN COMPLEX WITH N6-BENZYL-NAD
分子名称:	N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE)
著者	Suresh, S, Hol, W.
登録日	1999-03-05
公開日	1999-03-16
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (3.4 Å)
主引用文献	Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase. Proc.Natl.Acad.Sci.USA, 96, 1999

1KVW

CARBOXYLIC ESTER HYDROLASE, SINGLE MUTANT H48Q OF BOVINE PANCREATIC PLA2 ENZYME
分子名称:	CALCIUM ION, PHOSPHOLIPASE A2
著者	Sundaralingam, M.
登録日	1998-04-24
公開日	1998-11-18
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	Structures of the catalytic site mutants D99A and H48Q and the calcium-loop mutant D49E of phospholipase A2. Acta Crystallogr.,Sect.D, 55, 1999

1KVY

CARBOXYLIC ESTER HYDROLASE, SINGLE MUTANT D49E COORDINATED TO CALCIUM
分子名称:	CALCIUM ION, PHOSPHOLIPASE A2
著者	Sundaralingam, M.
登録日	1998-04-29
公開日	1998-11-18
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Structures of the catalytic site mutants D99A and H48Q and the calcium-loop mutant D49E of phospholipase A2. Acta Crystallogr.,Sect.D, 55, 1999

1APW

CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION STATE MIMICS BOUND TO PENICILLOPEPSIN: DIFLUOROSTATINE-AND DIFLUOROSTATONE-CONTAINING PEPTIDES
分子名称:	DIMETHYLFORMAMIDE, INHIBITOR ISOVALERYL (IVA)-VAL-VAL-DIFLUOROSTATINE-N-METHYLAMINE, PENICILLOPEPSIN, ...
著者	Sielecki, A.R, James, M.N.G.
登録日	1991-12-16
公開日	1994-01-31
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: difluorostatine- and difluorostatone-containing peptides. Biochemistry, 31, 1992

1UNE

CARBOXYLIC ESTER HYDROLASE, 1.5 ANGSTROM ORTHORHOMBIC FORM OF THE BOVINE RECOMBINANT PLA2
分子名称:	CALCIUM ION, PHOSPHOLIPASE A2
著者	Sundaralingam, M.
登録日	1997-11-05
公開日	1998-05-06
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	High-resolution refinement of orthorhombic bovine pancreatic phospholipase A2. Acta Crystallogr.,Sect.D, 55, 1999

1APV

CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION STATE MIMICS BOUND TO PENICILLOPEPSIN: DIFLUOROSTATINE-AND DIFLUOROSTATONE-CONTAINING PEPTIDES
分子名称:	DIMETHYLFORMAMIDE, INHIBITOR ISOVALERYL (IVA)-VAL-VAL-HYDRATED DIFLUOROSTATONE-N-METHYLAMINE, PENICILLOPEPSIN, ...
著者	Sielecki, A.R, James, M.N.G.
登録日	1991-12-16
公開日	1994-01-31
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: difluorostatine- and difluorostatone-containing peptides. Biochemistry, 31, 1992

1POD

STRUCTURES OF FREE AND INHIBITED HUMAN SECRETORY PHOSPHOLIPASE A2 FROM INFLAMMATORY EXUDATE
分子名称:	CALCIUM ION, PHOSPHOLIPASE A2
著者	Scott, D.L, White, S.P, Sigler, P.B.
登録日	1992-09-07
公開日	1993-10-31
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Structures of free and inhibited human secretory phospholipase A2 from inflammatory exudate. Science, 254, 1991

1FDK

CARBOXYLIC ESTER HYDROLASE (PLA2-MJ33 INHIBITOR COMPLEX)
分子名称:	1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL, CALCIUM ION, PHOSPHOLIPASE A2
著者	Sundaralingam, M.
登録日	1997-09-04
公開日	1998-10-14
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (1.91 Å)
主引用文献	Crystal structure of the complex of bovine pancreatic phospholipase A2 with the inhibitor 1-hexadecyl-3-(trifluoroethyl)-sn-glycero-2-phosphomethanol,. Biochemistry, 36, 1997

2A0M

Arginase superfamily protein from Trypanosoma cruzi
分子名称:	ARGINASE SUPERFAMILY PROTEIN, CHLORIDE ION
著者	Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日	2005-06-16
公開日	2005-07-05
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.603 Å)
主引用文献	Structural genomics of pathogenic protozoa: an overview. Methods Mol.Biol., 426, 2008

1PPK

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	2024-10-16
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

3U0S

Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
分子名称:	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diisopropyl-fluorophosphatase, GLYCEROL, ...
著者	Bale, J.B, Shen, B.W, Stoddard, B.L.
登録日	2011-09-29
公開日	2012-02-01
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Increased Diels-Alderase activity through backbone remodeling guided by Foldit players. Nat.Biotechnol., 30, 2012

2WEB

ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT
分子名称:	METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE, PENICILLOPEPSIN, SULFATE ION, ...
著者	Ding, J, Fraser, M.E, James, M.N.G.
登録日	1998-02-03
公開日	1998-05-27
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues J.Am.Chem.Soc., 120, 1998

2WEC

ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-(1-NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXY PHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT
分子名称:	METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE, PENICILLOPEPSIN, SULFATE ION, ...
著者	Ding, J, Fraser, M.E, James, M.N.G.
登録日	1998-02-03
公開日	1998-05-27
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues J.Am.Chem.Soc., 120, 1998

2WEA

ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL[CYCLO-7[(2R)-((N-VALYL) AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY) PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT
分子名称:	METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], PENICILLOPEPSIN, SULFATE ION, ...
著者	Ding, J, Fraser, M.E, James, M.N.G.
登録日	1998-02-03
公開日	1998-05-27
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues J.Am.Chem.Soc., 120, 1998

2WED

ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE MACROCYCLIC INHIBITOR:METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT
分子名称:	METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], PENICILLOPEPSIN, SULFATE ION, ...
著者	Ding, J, Fraser, M.E, James, M.N.G.
登録日	1998-02-03
公開日	1998-05-27
最終更新日	2024-10-23
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues J.Am.Chem.Soc., 120, 1998

1APU

Crystallographic analysis of a pepstatin analogue binding to the aspartyl proteinase penicillopepsin at 1.8 angstroms resolution
分子名称:	PEPSTATIN ANALOGUE ISOVALERYL-VAL-VAL-STA-O-ET, PROTEIN (PENICILLOPEPSIN), alpha-D-mannopyranose
著者	Sielecki, A.R, James, M.N.G.
登録日	1991-12-16
公開日	1994-01-31
最終更新日	2024-10-16
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides Biochemistry, 31, 1992

1APT

CRYSTALLOGRAPHIC ANALYSIS OF A PEPSTATIN ANALOGUE BINDING TO THE ASPARTYL PROTEINASE PENICILLOPEPSIN AT 1.8 ANGSTROMS RESOLUTION
分子名称:	INHIBITOR ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET (LYSTA IS A LYSYL SIDE CHAIN ANALOGUE OF STATIN, PENICILLOPEPSIN, alpha-D-mannopyranose
著者	Sielecki, A.R, James, M.N.G.
登録日	1991-12-16
公開日	1994-01-31
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Crystallographic Analysis of a Pepstatin Analogue Binding to the Aspartyl Proteinase Penicillopepsin at 1.8 Angstroms Resolution Peptides: Structure and Function, Proceedings of the of the Eighth American Peptide Symposium, 1, 1983

1MKV

CARBOXYLIC ESTER HYDROLASE COMPLEX (PLA2 + TRANSITION STATE ANALOG COMPLEX)
分子名称:	1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, PHOSPHOLIPASE A2
著者	Sundaralingam, M.
登録日	1997-09-13
公開日	1998-03-18
最終更新日	2024-11-06
実験手法	X-RAY DIFFRACTION (1.89 Å)
主引用文献	Structure of the complex of bovine pancreatic phospholipase A2 with a transition-state analogue. Acta Crystallogr.,Sect.D, 54, 1998

1N1G

Crystal structure of Leishmania mexicana Glycerol-3-phosphate dehydrogenase with inhibitor BCP
分子名称:	2-BROMO-6-CHLORO-PURINE, PALMITIC ACID, glycerol-3-phosphate dehydrogenase
著者	Choe, J, Hol, W.G.
登録日	2002-10-17
公開日	2003-10-28
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase. Chem.Biol., 9, 2002

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