1MUE
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![BU of 1mue by Molmil](/molmil-images/mine/1mue) | Thrombin-Hirugen-L405,426 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Bioorg.Med.Chem.Lett., 13, 2003
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3VEG
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![BU of 3veg by Molmil](/molmil-images/mine/3veg) | Rhodococcus jostii RHA1 DypB R244L variant in complex with heme | Descriptor: | CHLORIDE ION, DypB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. | Deposit date: | 2012-01-07 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity. J.Biol.Chem., 287, 2012
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3VED
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![BU of 3ved by Molmil](/molmil-images/mine/3ved) | Rhodococcus jostii RHA1 DypB D153H variant in complex with heme | Descriptor: | CHLORIDE ION, DypB, GLYCEROL, ... | Authors: | Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. | Deposit date: | 2012-01-07 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity. J.Biol.Chem., 287, 2012
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3VEE
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![BU of 3vee by Molmil](/molmil-images/mine/3vee) | Rhodococcus jostii RHA1 DypB N246A variant in complex with heme | Descriptor: | CHLORIDE ION, DypB, FORMIC ACID, ... | Authors: | Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. | Deposit date: | 2012-01-07 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity. J.Biol.Chem., 287, 2012
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1S6B
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![BU of 1s6b by Molmil](/molmil-images/mine/1s6b) | X-ray Crystal Structure of a Complex Formed Between Two Homologous Isoforms of Phospholipase A2 from Naja naja sagittifera: Principle of Molecular Association and Inactivation | Descriptor: | ACETIC ACID, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Jabeen, T, Sharma, S, Singh, R.K, Kaur, P, Singh, T.P. | Deposit date: | 2004-01-23 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a calcium-induced dimer of two isoforms of cobra phospholipase A2 at 1.6 A resolution. Proteins, 59, 2005
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3VEC
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![BU of 3vec by Molmil](/molmil-images/mine/3vec) | Rhodococcus jostii RHA1 DypB D153A variant in complex with heme | Descriptor: | CHLORIDE ION, DypB, GLYCEROL, ... | Authors: | Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. | Deposit date: | 2012-01-07 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity. J.Biol.Chem., 287, 2012
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3VEF
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![BU of 3vef by Molmil](/molmil-images/mine/3vef) | Rhodococcus jostii RHA1 DypB N246H variant in complex with heme | Descriptor: | CHLORIDE ION, DypB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. | Deposit date: | 2012-01-07 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity. J.Biol.Chem., 287, 2012
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5GIU
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![BU of 5giu by Molmil](/molmil-images/mine/5giu) | Crystal structure of Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site | Descriptor: | PHOSPHATE ION, Proline dipeptidase, SODIUM ION | Authors: | Are, V.N, Kumar, A, Singh, R, Ghosh, B, Jamdar, S.N, Makde, R.D. | Deposit date: | 2016-06-25 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site To Be Published
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3RKE
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![BU of 3rke by Molmil](/molmil-images/mine/3rke) | Crystal Structure of goat Lactoperoxidase complexed with a tightly bound inhibitor, 4-aminophenyl-4H-imidazole-1-yl methanone at 2.3 A resolution | Descriptor: | (4-aminophenyl)-imidazol-1-yl-methanone, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dube, D, Singh, R.P, Sinha, M, Singh, A.K, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-04-18 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of goat Lactoperoxidase complexed with a tightly bound inhibitor, 4-aminophenyl-4H-imidazole-1-yl methanone at 2.3 A resolution TO BE PUBLISHED
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3R5O
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![BU of 3r5o by Molmil](/molmil-images/mine/3r5o) | Crystal structure of the complex of bovine lactoperoxidase with 4-allyl-2-methoxyphenol at 2.6 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pandey, N, Singh, A.K, Singh, R.P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-03-19 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the complex of bovine lactoperoxidase with 4-allyl-2-methoxyphenol at 2.6 A resolution To be Published
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3QF1
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![BU of 3qf1 by Molmil](/molmil-images/mine/3qf1) | Crystal structure of the complex of caprine lactoperoxidase with diethylenediamine at 2.6A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pandey, N, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-01-21 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the complex of caprine lactoperoxidase with diethylenediamine at 2.6A resolution To be Published
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3UBA
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![BU of 3uba by Molmil](/molmil-images/mine/3uba) | Crystal structure of the complex of bovine lactoperoxidase with p-hydroxycinnamic acid at 2.6 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pandey, N, Singh, A.K, Singh, R.P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-10-24 | Release date: | 2011-12-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of the complex of bovine lactoperoxidase with p-hydroxycinnamic acid at 2.6 A resolution to be published
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2BV3
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![BU of 2bv3 by Molmil](/molmil-images/mine/2bv3) | Crystal structure of a mutant elongation factor G trapped with a GTP analogue | Descriptor: | ELONGATION FACTOR G, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Hansson, S, Singh, R, Gudkov, A.T, Liljas, A, Logan, D.T. | Deposit date: | 2005-06-22 | Release date: | 2005-08-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of a Mutant Elongation Factor G Trapped with a GTP Analogue. FEBS Lett., 579, 2005
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4RUH
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![BU of 4ruh by Molmil](/molmil-images/mine/4ruh) | Crystal structure of Human Carnosinase-2 (CN2) in complex with inhibitor, Bestatin at 2.25 A | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Cytosolic non-specific dipeptidase, GLYCEROL, ... | Authors: | pandya, V, Kaushik, A, Singh, A.K, Singh, R.P, Kumaran, S. | Deposit date: | 2014-11-19 | Release date: | 2015-11-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Human Carnosinase-2 (CN2) in complex with inhibitor, Bestatin at 2.25 A TO BE PUBLISHED
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1FYD
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![BU of 1fyd by Molmil](/molmil-images/mine/1fyd) | CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE AMP, ONE PYROPHOSPHATE ION AND ONE MG2+ ION | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) SYNTHETASE, ... | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Brouillette, W, Muccio, D, Jedrzejas, M, Brouillette, C, DeLucas, L. | Deposit date: | 2000-09-28 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis. Acta Crystallogr.,Sect.D, 57, 2001
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3V9I
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![BU of 3v9i by Molmil](/molmil-images/mine/3v9i) | |
1IFX
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![BU of 1ifx by Molmil](/molmil-images/mine/1ifx) | CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH TWO MOLECULES DEAMIDO-NAD | Descriptor: | NH(3)-DEPENDENT NAD(+) SYNTHETASE, NICOTINIC ACID ADENINE DINUCLEOTIDE | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Brouillette, W, Muccio, D, Jedrzejas, M, Brouillette, C, DeLucas, L. | Deposit date: | 2001-04-13 | Release date: | 2001-06-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis. Acta Crystallogr.,Sect.D, 57, 2001
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3V9H
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![BU of 3v9h by Molmil](/molmil-images/mine/3v9h) | |
3TGY
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![BU of 3tgy by Molmil](/molmil-images/mine/3tgy) | Crystal structure of the complex of Bovine Lactoperoxidase with Ascorbic acid at 2.35 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yamini, S, Singh, R.P, Singh, A.K, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-08-18 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution. Biochim.Biophys.Acta, 1865, 2017
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1IH8
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![BU of 1ih8 by Molmil](/molmil-images/mine/1ih8) | NH3-dependent NAD+ Synthetase from Bacillus subtilis Complexed with AMP-CPP and Mg2+ ions. | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) synthetase | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, DeLucas, L. | Deposit date: | 2001-04-18 | Release date: | 2001-06-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis. Acta Crystallogr.,Sect.D, 57, 2001
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2BM0
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![BU of 2bm0 by Molmil](/molmil-images/mine/2bm0) | Ribosomal elongation factor G (EF-G) Fusidic acid resistant mutant T84A | Descriptor: | ELONGATION FACTOR G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hansson, S, Singh, R, Gudkov, A.T, Liljas, A, Logan, D.T. | Deposit date: | 2005-03-09 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights Into Fusidic Acid Resistance and Sensitivity in EF-G J.Mol.Biol., 348, 2005
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2BM1
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![BU of 2bm1 by Molmil](/molmil-images/mine/2bm1) | Ribosomal elongation factor G (EF-G) Fusidic acid resistant mutant G16V | Descriptor: | ELONGATION FACTOR G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hansson, S, Singh, R, Gudkov, A.T, Liljas, A, Logan, D.T. | Deposit date: | 2005-03-09 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights Into Fusidic Acid Resistance and Sensitivity in EF-G J.Mol.Biol., 348, 2005
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1ZRB
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![BU of 1zrb by Molmil](/molmil-images/mine/1zrb) | Thrombin in complex with an azafluorenyl inhibitor 23b | Descriptor: | 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ... | Authors: | Stauffer, K.J, Williams, P.D, Selnick, H.G, Nantermet, P.G, Newton, C.L, Homnick, C.F, Zrada, M.M, Lewis, S.D, Lucas, B.J, Krueger, J.A, Pietrak, B.L, Lyle, E.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Wallace, A.A, Sitko, G.R, Cook, J.J, Holahan, M.A, Stranieri-Michener, M, Leonard, Y.M, Lynch Jr, J.J, McMasters, D.R, Yan, Y. | Deposit date: | 2005-05-19 | Release date: | 2005-06-07 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 9-hydroxyazafluorenes and their use in thrombin inhibitors J.Med.Chem., 48, 2005
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4JPO
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![BU of 4jpo by Molmil](/molmil-images/mine/4jpo) | 5A resolution structure of Proteasome Assembly Chaperone Hsm3 in complex with a C-terminal fragment of Rpt1 | Descriptor: | 26S protease regulatory subunit 7 homolog, DNA mismatch repair protein HSM3 | Authors: | Lovell, S, Battaile, K.P, Singh, R, Roelofs, J. | Deposit date: | 2013-03-19 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Reconfiguration of the proteasome during chaperone-mediated assembly. Nature, 497, 2013
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4HOV
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![BU of 4hov by Molmil](/molmil-images/mine/4hov) | DypB N246A in complex with manganese | Descriptor: | CHLORIDE ION, DypB, FORMIC ACID, ... | Authors: | Grigg, J.C, Singh, R, Eltis, L.D, Murphy, M.E.P. | Deposit date: | 2012-10-22 | Release date: | 2013-01-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Improved Manganese-Oxidizing Activity of DypB, a Peroxidase from a Lignolytic Bacterium. Acs Chem.Biol., 8, 2013
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