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1DQD
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BU of 1dqd by Molmil
CRYSTAL STRUCTURE OF FAB HGR-2 F6, A COMPETITIVE ANTAGONIST OF THE GLUCAGON RECEPTOR
Descriptor: FAB HGR-2 F6
Authors:Wright, L.M, Brzozowski, A.M, Hubbard, R.E, Pike, A.C.W, Roberts, S.M, Skovgaard, R.N, Svendsen, I, Vissing, H, Bywater, R.P.
Deposit date:2000-01-04
Release date:2000-05-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Fab hGR-2 F6, a competitive antagonist of the glucagon receptor.
Acta Crystallogr.,Sect.D, 56, 2000
1GYE
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BU of 1gye by Molmil
Structure of Cellvibrio cellulosa alpha-L-arabinanase complexed with Arabinohexaose
Descriptor: ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A, CHLORIDE ION, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose
Authors:Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J.
Deposit date:2002-04-23
Release date:2002-08-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cellvibrio japonicus alpha-L-arabinanase 43A has a novel five-blade beta-propeller fold.
Nat. Struct. Biol., 9, 2002
4CGL
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BU of 4cgl by Molmil
Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor
Descriptor: (3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CGN
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BU of 4cgn by Molmil
Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor
Descriptor: 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
5G20
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BU of 5g20 by Molmil
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19).
Descriptor: 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G22
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BU of 5g22 by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26)
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
3T6Y
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BU of 3t6y by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T70
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BU of 3t70 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T60
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BU of 3t60 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T64
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BU of 3t64 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
1UZ9
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BU of 1uz9 by Molmil
Crystallographic and solution studies of N-lithocholyl insulin: a new generation of prolonged-acting insulins.
Descriptor: (2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-10,13-DIMETHYL-3-OXOHEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL}AMINO)HEXANOIC ACID, CHLORIDE ION, INSULIN, ...
Authors:Whittingham, J.L, Jonassen, I, Havelund, S, Roberts, S.M, Dodson, E.J, Verma, C.S, Wilkinson, A.J, Dodson, G.G.
Deposit date:2004-03-08
Release date:2005-03-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic and Solution Studies of N-Lithocholyl Insulin: A New Generation of Prolonged-Acting Human Insulins
Biochemistry, 43, 2004
1GYD
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BU of 1gyd by Molmil
Structure of Cellvibrio cellulosa alpha-L-arabinanase
Descriptor: ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A
Authors:Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J.
Deposit date:2002-04-23
Release date:2002-08-23
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cellvibrio japonicus alpha-L-arabinanase 43A has a novel five-blade beta-propeller fold.
Nat. Struct. Biol., 9, 2002
3ZQ9
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BU of 3zq9 by Molmil
Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44
Descriptor: (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G.
Deposit date:2011-06-08
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
1GYH
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BU of 1gyh by Molmil
Structure of D158A Cellvibrio cellulosa alpha-L-arabinanase mutant
Descriptor: ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A, CHLORIDE ION
Authors:Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J.
Deposit date:2002-04-23
Release date:2002-08-23
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Cellovibrio Cellulosa Alpha-L-Arabinanase 43A Has a Novel Five-Blade Beta-Propeller Fold
Nat.Struct.Biol., 9, 2002
4C68
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BU of 4c68 by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a peptidomimetic inhibitor
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W.
Deposit date:2013-09-17
Release date:2014-09-24
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
4C7H
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BU of 4c7h by Molmil
Leismania major N-myristoyltransferase in complex with a peptidomimetic (-NH2) molecule
Descriptor: COENZYME A, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
4C7I
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BU of 4c7i by Molmil
Leismania major N-myristoyltransferase in complex with a peptidomimetic (-OH) molecule
Descriptor: DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
4CGM
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BU of 4cgm by Molmil
Leishmania major N-myristoyltransferase in complex with a biphenyl- derivative inhibitor
Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-[[3-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine, ...
Authors:Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CGO
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BU of 4cgo by Molmil
Leishmania major N-myristoyltransferase in complex with a thienopyrimidine inhibitor
Descriptor: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CYQ
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BU of 4cyq by Molmil
Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45).
Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide, ...
Authors:Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-01
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4CGP
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BU of 4cgp by Molmil
Leishmania major N-myristoyltransferase in complex with cofactor
Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, TETRADECANOYL-COA
Authors:Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CYN
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BU of 4cyn by Molmil
Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b)
Descriptor: (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-01
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4CYO
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BU of 4cyo by Molmil
Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 21).
Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide, ...
Authors:Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-01
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4CYP
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BU of 4cyp by Molmil
Leishmania major N-myristoyltransferase in complex with a pyrrolidine inhibitor.
Descriptor: (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-22
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
1QFK
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BU of 1qfk by Molmil
STRUCTURE OF HUMAN FACTOR VIIA AND ITS IMPLICATIONS FOR THE TRIGGERING OF BLOOD COAGULATION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COAGULATION FACTOR VIIA HEAVY CHAIN, ...
Authors:Pike, A.C.W, Brzozowski, A.M, Roberts, S.M, Olsen, O.H, Persson, E.
Deposit date:1999-04-12
Release date:1999-08-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human factor VIIa and its implications for the triggering of blood coagulation.
Proc.Natl.Acad.Sci.USA, 96, 1999

 

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