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1ELS
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BU of 1els by Molmil
CATALYTIC METAL ION BINDING IN ENOLASE: THE CRYSTAL STRUCTURE OF ENOLASE-MN2+-PHOSPHONOACETOHYDROXAMATE COMPLEX AT 2.4 ANGSTROMS RESOLUTION
Descriptor: ENOLASE, MANGANESE (II) ION, PHOSPHONOACETOHYDROXAMIC ACID
Authors:Zhang, E, Hatada, M, Brewer, J.M, Lebioda, L.
Deposit date:1994-04-05
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catalytic metal ion binding in enolase: the crystal structure of an enolase-Mn2+-phosphonoacetohydroxamate complex at 2.4-A resolution.
Biochemistry, 33, 1994
1FAK
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BU of 1fak by Molmil
HUMAN TISSUE FACTOR COMPLEXED WITH COAGULATION FACTOR VIIA INHIBITED WITH A BPTI-MUTANT
Descriptor: CALCIUM ION, PROTEIN (5L15), PROTEIN (BLOOD COAGULATION FACTOR VIIA), ...
Authors:Zhang, E, St Charles, R, Tulinsky, A.
Deposit date:1998-12-28
Release date:1999-12-03
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of extracellular tissue factor complexed with factor VIIa inhibited with a BPTI mutant.
J.Mol.Biol., 285, 1999
1HXF
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BU of 1hxf by Molmil
HUMAN THROMBIN COMPLEX WITH HIRUDIN VARIANT
Descriptor: HIRUDIN VARIANT, THROMBIN
Authors:Tulinsky, A, Zhang, E.
Deposit date:1996-09-09
Release date:1997-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The molecular environment of the Na+ binding site of thrombin.
Biophys.Chem., 63, 1997
1HXE
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BU of 1hxe by Molmil
SERINE PROTEASE
Descriptor: HIRUDIN VARIANT-1, RUBIDIUM ION, THROMBIN
Authors:Tulinsky, A, Zhang, E.
Deposit date:1995-12-07
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The molecular environment of the Na+ binding site of thrombin.
Biophys.Chem., 63, 1997
2PHB
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BU of 2phb by Molmil
An Orally Efficacious Factor Xa Inhibitor
Descriptor: (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
Authors:Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C.
Deposit date:2007-04-10
Release date:2008-03-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor
Chem.Biol.Drug Des., 70, 2007
2PR3
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BU of 2pr3 by Molmil
Factor XA inhibitor
Descriptor: (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
Authors:Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C.
Deposit date:2007-05-03
Release date:2007-08-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors
Chem.Biol.Drug Des., 69, 2007
4WKR
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BU of 4wkr by Molmil
LaRP7 wrapping up the 3' hairpin of 7SK non-coding RNA (302-332)
Descriptor: 7SK GGHP4 (300-332), La-related protein 7
Authors:Uchikawa, E, Natchiar, K.S, Han, X, Proux, F, Roblin, P, Zhang, E, Durand, A, Klaholz, B.P, Dock-Bregeon, A.-C.
Deposit date:2014-10-03
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insight into the mechanism of stabilization of the 7SK small nuclear RNA by LARP7.
Nucleic Acids Res., 43, 2015
1BB0
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BU of 1bb0 by Molmil
THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-28
Release date:1999-04-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1A61
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BU of 1a61 by Molmil
THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR
Descriptor: (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M.
Deposit date:1998-03-05
Release date:1998-06-17
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
1A46
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BU of 1a46 by Molmil
THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR
Descriptor: (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M.
Deposit date:1998-02-11
Release date:1998-05-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
1BA8
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BU of 1ba8 by Molmil
THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-23
Release date:1999-04-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1EWA
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BU of 1ewa by Molmil
Dehaloperoxidase and 4-iodophenol
Descriptor: 4-IODOPHENOL, DEHALOPEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:LaCount, M.W, Zhang, E, Chen, Y.P, Han, K, Whitton, M.M, Lincoln, D.E, Woodin, S.A, Lebioda, L.
Deposit date:2000-04-24
Release date:2000-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure and amino acid sequence of dehaloperoxidase from Amphitrite ornata indicate common ancestry with globins
J.Biol.Chem., 275, 2000
3EQB
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BU of 3eqb by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Ohren, J.F, Pavlovsky, A, Zhang, E.
Deposit date:2008-09-30
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
Bioorg.Med.Chem.Lett., 18, 2008
1TWX
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BU of 1twx by Molmil
Crystal structure of the thrombin mutant D221A/D222K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, Prothrombin
Authors:Pineda, A.O, Zhang, E, Guinto, E.R, Savvides, S.N, Tulinsky, A, Di Cera, E.
Deposit date:2004-07-01
Release date:2005-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the thrombin mutant D221A/D222K: the Asp222:Arg187 ion-pair stabilizes the fast form
Biophys.Chem., 112, 2004
1CA8
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BU of 1ca8 by Molmil
Thrombin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-27
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes
Biochemistry, 37, 1998
1NEL
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BU of 1nel by Molmil
FLUORIDE INHIBITION OF YEAST ENOLASE: CRYSTAL STRUCTURE OF THE ENOLASE-MG2+-F--PI COMPLEX AT 2.6-ANGSTROMS RESOLUTION
Descriptor: ENOLASE, FLUORIDE ION, MAGNESIUM ION, ...
Authors:Lebioda, L, Zhang, E, Lewinski, K, Brewer, M.J.
Deposit date:1993-08-20
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fluoride inhibition of yeast enolase: crystal structure of the enolase-Mg(2+)-F(-)-Pi complex at 2.6 A resolution.
Proteins, 16, 1993
2FS4
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BU of 2fs4 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring
Descriptor: (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin
Authors:Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S.
Deposit date:2006-01-20
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
4CVN
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BU of 4cvn by Molmil
Structure of the Fap7-Rps14 complex
Descriptor: 30S RIBOSOMAL PROTEIN S11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Loch, J, Blaud, M, Rety, S, Lebaron, S, Deschamps, P, Bareille, J, Jombart, J, Robert-Paganin, J, Delbos, L, Chardon, F, Zhang, E, Charenton, C, Tollervey, D, Leulliot, N.
Deposit date:2014-03-28
Release date:2014-05-28
Method:X-RAY DIFFRACTION (2.121 Å)
Cite:RNA Mimicry by the Fap7 Adenylate Kinase in Ribosome Biogenesis
Plos Biol., 12, 2014
4CW7
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BU of 4cw7 by Molmil
Structure of the Fap7-Rps14 complex in complex with ATP
Descriptor: 30S RIBOSOMAL PROTEIN S11, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Loc'h, J, Blaud, M, Rety, S, Lebaron, S, Deschamps, P, Bareille, J, Jombart, J, Robert-Paganin, J, Delbos, L, Chardon, F, Zhang, E, Charenton, C, Tollervey, D, Leulliot, N.
Deposit date:2014-04-01
Release date:2014-05-28
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:RNA Mimicry by the Fap7 Adenylate Kinase in Ribosome Biogenesis
Plos Biol., 12, 2014
1YYY
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BU of 1yyy by Molmil
Trypsin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-06-03
Release date:1999-06-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1ZZZ
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BU of 1zzz by Molmil
Trypsin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-06-02
Release date:1999-06-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
2BKT
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BU of 2bkt by Molmil
crystal structure of renin-pf00257567 complex
Descriptor: 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE, RENIN
Authors:Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E.
Deposit date:2005-02-18
Release date:2006-04-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2C4F
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BU of 2c4f by Molmil
crystal structure of factor VII.stf complexed with pd0297121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN ZOIC ACID, CALCIUM ION, ...
Authors:Kohrt, J.T, Zhang, E.
Deposit date:2005-10-18
Release date:2006-10-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The Discovery of Fluoropyridine-Based Inhibitors of the Factor Viia/Tf Complex--Part 2
Bioorg.Med.Chem.Lett., 16, 2006
2BKS
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BU of 2bks by Molmil
crystal structure of Renin-PF00074777 complex
Descriptor: (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin
Authors:Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E.
Deposit date:2005-02-18
Release date:2006-04-05
Last modified:2021-07-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
3DY7
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BU of 3dy7 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
Descriptor: (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Ohren, J.F, Pavlovsky, A, Zhang, E.
Deposit date:2008-07-25
Release date:2009-06-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009

 

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