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1W0Y
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BU of 1w0y by Molmil
tf7a_3771 complex
Descriptor: 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
Authors:Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
Deposit date:2004-05-27
Release date:2005-01-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
4A92
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Full-length HCV NS3-4A protease-helicase in complex with a macrocyclic protease inhibitor.
Descriptor: (1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE, SERINE PROTEASE NS3, ZINC ION
Authors:Schiering, N, D'Arcy, A, Simic, O, Eder, J, Raman, P, Svergun, D.I, Bodendorf, U.
Deposit date:2011-11-23
Release date:2011-12-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:A Macrocyclic Hcv Ns3/4A Protease Inhibitor Interacts with Protease and Helicase Residues in the Complex with its Full- Length Target.
Proc.Natl.Acad.Sci.USA, 108, 2011
1KLI
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Cofactor-and substrate-assisted activation of factor VIIa
Descriptor: BENZAMIDINE, CALCIUM ION, GLYCEROL, ...
Authors:Sichler, K, Banner, D.W, D'Arcy, A, Hopfner, K.P, Huber, R, Bode, W, Kresse, G.B, Kopetzki, E, Brandstetter, H.
Deposit date:2001-12-12
Release date:2002-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal Structure of Uninhibited Factor VIIa Link its Cofactor and Substrate-assisted Activation to Specific Interactions
J.Mol.Biol., 322, 2002
1KLJ
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Crystal structure of uninhibited factor VIIa
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, factor VIIa
Authors:Sichler, K, Banner, D, D'Arcy, A, Hopfner, K.P, Huber, R, Bode, W, Kresse, G.B, Kopetzki, E, Brandstetter, H.
Deposit date:2001-12-12
Release date:2002-10-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structures of uninhibited factor VIIa link its cofactor and substrate-assisted activation to specific interactions.
J.Mol.Biol., 322, 2002
1W2K
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tf7a_4380 complex
Descriptor: (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
Authors:Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
Deposit date:2004-07-06
Release date:2005-06-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2TCL
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STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH AN INHIBITOR
Descriptor: CALCIUM ION, FIBROBLAST COLLAGENASE, SAMARIUM (III) ION, ...
Authors:Winkler, F.K, Borkakoti, N, D'Arcy, A.
Deposit date:1994-09-07
Release date:1996-03-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the catalytic domain of human fibroblast collagenase complexed with an inhibitor.
Nat.Struct.Biol., 1, 1994
1AD1
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DIHYDROPTEROATE SYNTHETASE (APO FORM) FROM STAPHYLOCOCCUS AUREUS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIHYDROPTEROATE SYNTHETASE, POTASSIUM ION
Authors:Kostrewa, D, Oefner, C, D'Arcy, A.
Deposit date:1997-02-19
Release date:1998-04-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of the dihydropteroate synthase from Staphylococcus aureus.
J.Mol.Biol., 268, 1997
1CBK
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7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE
Descriptor: 7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN, PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE), SULFATE ION
Authors:Hennig, M, D'Arcy, A, Dale, G, Oefner, C.
Deposit date:1999-02-26
Release date:2000-03-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The structure and function of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Haemophilus influenzae.
J.Mol.Biol., 287, 1999
1QXZ
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Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle inhibitor 119
Descriptor: (2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL, COBALT (II) ION, methionyl aminopeptidase
Authors:Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
Deposit date:2003-09-09
Release date:2004-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004
1QXW
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Crystal structure of Staphyloccocus aureus in complex with an aminoketone inhibitor 54135.
Descriptor: (3S)-3-AMINO-1-(CYCLOPROPYLAMINO)HEPTANE-2,2-DIOL, ACETATE ION, COBALT (II) ION, ...
Authors:Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
Deposit date:2003-09-09
Release date:2004-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004
1QXY
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Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle 618
Descriptor: (2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL, ACETATE ION, COBALT (II) ION, ...
Authors:Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
Deposit date:2003-09-09
Release date:2004-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004
1PFQ
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crystal structure of human apo dipeptidyl peptidase IV / CD26
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV soluble form
Authors:Oefner, C, D'Arcy, A, Mac Sweeney, A, Pierau, S, Gardiner, R, Dale, G.E.
Deposit date:2003-05-27
Release date:2003-07-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution structure of human apo dipeptidyl peptidase IV/CD26 and its complex with 1-[([2-[(5-iodopyridin-2-yl)amino]-ethyl]amino)-acetyl]-2-cyano-(S)-pyrrolidine.
Acta Crystallogr.,Sect.D, 59, 2003
2DHN
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BU of 2dhn by Molmil
COMPLEX OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS AUREUS WITH 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 2.2 A RESOLUTION
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-DIHYDRONEOPTERIN ALDOLASE
Authors:Hennig, M, D'Arcy, A, Hampele, I.C, Page, M.G.P, Oefner, C.H, Dale, G.
Deposit date:1998-03-31
Release date:1999-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and reaction mechanism of 7,8-dihydroneopterin aldolase from Staphylococcus aureus.
Nat.Struct.Biol., 5, 1998
1QFX
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BU of 1qfx by Molmil
PH 2.5 ACID PHOSPHATASE FROM ASPERGILLUS NIGER
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PROTEIN (PH 2.5 ACID PHOSPHATASE), ...
Authors:Kostrewa, D, Wyss, M, D'Arcy, A, Van Loon, A.P.G.M.
Deposit date:1999-04-15
Release date:2000-04-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Aspergillus niger pH 2.5 acid phosphatase at 2. 4 A resolution.
J.Mol.Biol., 288, 1999
2FP7
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BU of 2fp7 by Molmil
West Nile Virus NS2B/NS3protease in complex with Bz-Nle-Lys-Arg-Arg-H
Descriptor: Genome polyprotein, N-benzoyl-L-norleucyl-L-lysyl-N-[(2S)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-argininamide
Authors:Schiering, N, D'Arcy, A, Erbel, P.
Deposit date:2006-01-16
Release date:2006-03-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus.
Nat.Struct.Mol.Biol., 13, 2006
2FOM
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BU of 2fom by Molmil
Dengue Virus NS2B/NS3 Protease
Descriptor: CHLORIDE ION, GLYCEROL, polyprotein
Authors:Schiering, N, Kroemer, M, Renatus, M, Erbel, P, D'Arcy, A.
Deposit date:2006-01-13
Release date:2006-03-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus.
Nat.Struct.Mol.Biol., 13, 2006
1DMT
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BU of 1dmt by Molmil
STRUCTURE OF HUMAN NEUTRAL ENDOPEPTIDASE COMPLEXED WITH PHOSPHORAMIDON
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ...
Authors:Oefner, C, D'Arcy, A, Hennig, M, Winkler, F.K, Dale, G.E.
Deposit date:1999-12-15
Release date:2000-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of human neutral endopeptidase (Neprilysin) complexed with phosphoramidon.
J.Mol.Biol., 296, 2000
1DHN
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1.65 ANGSTROM RESOLUTION STRUCTURE OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS AUREUS
Descriptor: 7,8-DIHYDRONEOPTERIN ALDOLASE
Authors:Hennig, M, D'Arcy, A, Hampele, I.C, Page, M.G.P, Oefner, C.H, Dale, G.
Deposit date:1998-03-31
Release date:1999-04-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure and reaction mechanism of 7,8-dihydroneopterin aldolase from Staphylococcus aureus.
Nat.Struct.Biol., 5, 1998
1FG9
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3:1 COMPLEX OF INTERFERON-GAMMA RECEPTOR WITH INTERFERON-GAMMA DIMER
Descriptor: INTERFERON GAMMA, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN
Authors:Thiel, D.J, le Du, M.-H, Walter, R.L, D'Arcy, A, Chene, C, Fountoulakis, M, Garotta, G, Winkler, F.K, Ealick, S.E.
Deposit date:2000-07-28
Release date:2000-08-11
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Observation of an unexpected third receptor molecule in the crystal structure of human interferon-gamma receptor complex.
Structure Fold.Des., 8, 2000
1IYL
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BU of 1iyl by Molmil
Crystal Structure of Candida albicans N-myristoyltransferase with Non-peptidic Inhibitor
Descriptor: (1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-AMINO]-PROPOXY}-BENZOFURAN-2-YL)-METHANONE, Myristoyl-CoA:Protein N-Myristoyltransferase
Authors:Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
1IYK
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Crystal structure of candida albicans N-myristoyltransferase with myristoyl-COA and peptidic inhibitor
Descriptor: MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE, TETRADECANOYL-COA, [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE
Authors:Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
1G95
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CRYSTAL STRUCTURE OF S.PNEUMONIAE GLMU, APO FORM
Descriptor: N-ACETYLGLUCOSAMINE-1-PHOSPHATE URIDYLTRANSFERASE
Authors:Kostrewa, D, D'Arcy, A, Kamber, M.
Deposit date:2000-11-22
Release date:2001-05-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structures of Streptococcus pneumoniae N-acetylglucosamine-1-phosphate uridyltransferase, GlmU, in apo form at 2.33 A resolution and in complex with UDP-N-acetylglucosamine and Mg(2+) at 1.96 A resolution.
J.Mol.Biol., 305, 2001
1G97
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S.PNEUMONIAE GLMU COMPLEXED WITH UDP-N-ACETYLGLUCOSAMINE AND MG2+
Descriptor: MAGNESIUM ION, N-ACETYLGLUCOSAMINE-1-PHOSPHATE URIDYLTRANSFERASE, SODIUM ION, ...
Authors:Kostrewa, D, D'Arcy, A, Kamber, M.
Deposit date:2000-11-22
Release date:2001-05-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structures of Streptococcus pneumoniae N-acetylglucosamine-1-phosphate uridyltransferase, GlmU, in apo form at 2.33 A resolution and in complex with UDP-N-acetylglucosamine and Mg(2+) at 1.96 A resolution.
J.Mol.Biol., 305, 2001
1FR1
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REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS
Descriptor: BETA-LACTAMASE
Authors:Oefner, C, D'Arcy, A, Daly, J.J, Winkler, F.K.
Deposit date:2000-09-07
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis.
Nature, 343, 1990
1F97
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SOLUBLE PART OF THE JUNCTION ADHESION MOLECULE FROM MOUSE
Descriptor: JUNCTION ADHESION MOLECULE, MAGNESIUM ION
Authors:Kostrewa, D, Brockhaus, M, D'Arcy, A, Dale, G, Bazzoni, G, Dejana, E, Winkler, F, Hennig, M.
Deposit date:2000-07-07
Release date:2001-01-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure of junctional adhesion molecule: structural basis for homophilic adhesion via a novel dimerization motif.
EMBO J., 20, 2001

 

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