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1MS6
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BU of 1ms6 by Molmil
Dipeptide Nitrile Inhibitor Bound to Cathepsin S.
Descriptor: Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
Authors:Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M.
Deposit date:2002-09-19
Release date:2003-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors
J.Med.Chem., 45, 2002
2MIP
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BU of 2mip by Molmil
CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) TYPE 2 PROTEASE IN COMPLEX WITH A REDUCED AMIDE INHIBITOR AND COMPARISON WITH HIV-1 PROTEASE STRUCTURES
Descriptor: HIV-2 PROTEASE, INHIBITOR BI-LA-398
Authors:Tong, L, Pav, S, Pargellis, C, Do, F, Lamarre, D, Anderson, P.C.
Deposit date:1993-06-03
Release date:1993-10-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human immunodeficiency virus (HIV) type 2 protease in complex with a reduced amide inhibitor and comparison with HIV-1 protease structures.
Proc.Natl.Acad.Sci.USA, 90, 1993
1KV2
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BU of 1kv2 by Molmil
Human p38 MAP Kinase in Complex with BIRB 796
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, p38 MAP kinase
Authors:Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
Deposit date:2002-01-23
Release date:2002-03-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
1KV1
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BU of 1kv1 by Molmil
p38 MAP Kinase in Complex with Inhibitor 1
Descriptor: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, p38 MAP kinase
Authors:Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
Deposit date:2002-01-23
Release date:2002-03-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
1IDB
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BU of 1idb by Molmil
Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere
Descriptor: (2R,4S)-N-tert-butyl-1-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide, Protease
Authors:Tong, L, Anderson, P.C.
Deposit date:1994-10-19
Release date:1995-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere.
Structure, 3, 1995
1IDA
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BU of 1ida by Molmil
CRYSTAL STRUCTURES OF HIV-2 PROTEASE IN COMPLEX WITH INHIBITORS CONTAINING THE HYDROXYETHYLAMINE DIPEPTIDE ISOSTERE
Descriptor: N-[(1R)-1-{[(1S,2S)-1-benzyl-3-{(2R,4S)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide, Protease
Authors:Tong, L, Anderson, P.C.
Deposit date:1994-10-19
Release date:1995-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere.
Structure, 3, 1995
1BIM
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BU of 1bim by Molmil
CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS
Descriptor: (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide, Renin
Authors:Tong, L.
Deposit date:1995-09-27
Release date:1996-01-29
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors.
J.Biol.Chem., 270, 1995
1BIL
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BU of 1bil by Molmil
CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS
Descriptor: (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
Authors:Tong, L.
Deposit date:1995-09-27
Release date:1996-01-29
Last modified:2022-03-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors.
J.Biol.Chem., 270, 1995
1IAN
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BU of 1ian by Molmil
HUMAN P38 MAP KINASE INHIBITOR COMPLEX
Descriptor: 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE, P38 MAP KINASE
Authors:Tong, L.
Deposit date:1997-03-07
Release date:1998-05-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:A highly specific inhibitor of human p38 MAP kinase binds in the ATP pocket.
Nat.Struct.Biol., 4, 1997
1HRN
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BU of 1hrn by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURES OF RECOMBINANT HUMAN RENIN IN COMPLEX WITH POLYHYDROXYMONOAMIDE INHIBITORS
Descriptor: (2R,4S,5S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN
Authors:Tong, L, Anderson, P.C.
Deposit date:1995-03-31
Release date:1995-06-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution crystal structures of recombinant human renin in complex with polyhydroxymonoamide inhibitors.
J.Mol.Biol., 250, 1995
1JLD
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BU of 1jld by Molmil
Potent hiv protease inhibitors containing a novel (hydroxyethyl)amide isostere
Descriptor: (2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamide, Pol polyprotein
Authors:Tong, L.
Deposit date:1997-05-31
Release date:1997-12-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere.
J.Med.Chem., 40, 1997
1GOV
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BU of 1gov by Molmil
RIBONUCLEASE BI(G SPECIFIC ENDONUCLEASE) COMPLEXED WITH SULFATE IONS
Descriptor: RIBONUCLEASE, SULFATE ION
Authors:Polyakov, K.M, Lebedev, A.A, Pavlovsky, A.G, Sanishvili, R.G, Dodson, G.G.
Deposit date:2001-10-26
Release date:2001-11-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of Substrate-Free Microbial Ribonuclease Binase and of its Complexes with 3'Gmp and Sulfate Ions
Acta Crystallogr.,Sect.D, 58, 2002
2LH7
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BU of 2lh7 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (NITROSOBENZENE), NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
2LH2
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BU of 2lh2 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (AQUO MET), OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
2LH6
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BU of 2lh6 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: LEGHEMOGLOBIN A (NICOTINATE MET), NICOTINIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
2LH1
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BU of 2lh1 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: ACETATE ION, LEGHEMOGLOBIN (ACETO MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
2LH5
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BU of 2lh5 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: FLUORIDE ION, LEGHEMOGLOBIN (FLUORO MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
2GDM
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BU of 2gdm by Molmil
LEGHEMOGLOBIN (OXY)
Descriptor: LEGHEMOGLOBIN (OXY), OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E.H, Safonova, T.N, Kuranova, I.P, Popov, A.N, Teplyakov, A.V, Obmolova, G.V, Rusakov, A.A, Dodson, G.G, Wilson, J.C, Perutz, M.F.
Deposit date:1994-09-14
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Deoxy-and Oxy-Leghaemoglobin from Lupin
J.Mol.Biol., 251, 1995
1GDK
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BU of 1gdk by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: ISOQUINOLINE, LEGHEMOGLOBIN (ISOQUINOLINE MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Ferric Complexes of the Yellow Lupin Leghemoglobin with Isoquinoline at 1.8 Angstroms Resolution (Russian)
Bioorg.Khim., 17, 1991
1GDJ
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BU of 1gdj by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (DEOXY), PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Deoxy- and Oxy-Leghaemoglobin from Lupin
J.Mol.Biol., 251, 1995
1GDI
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BU of 1gdi by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: CARBON MONOXIDE, LEGHEMOGLOBIN (CARBONMONOXY), PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The binding of carbon monoxide and nitric oxide to leghaemoglobin in comparison with other haemoglobins.
J.Mol.Biol., 264, 1996
1GDL
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BU of 1gdl by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (NITROGEN MONOXY), NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The binding of carbon monoxide and nitric oxide to leghaemoglobin in comparison with other haemoglobins.
J.Mol.Biol., 264, 1996
1LH7
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BU of 1lh7 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (NITROSOBENZENE), NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
1LH5
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BU of 1lh5 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: FLUORIDE ION, LEGHEMOGLOBIN (FLUORO MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
1LH3
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BU of 1lh3 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: CYANIDE ION, LEGHEMOGLOBIN (CYANO MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980

 

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