8FU9
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![BU of 8fu9 by Molmil](/molmil-images/mine/8fu9) | Structure of Covid Spike variant deltaN25 with one erect RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M. | Deposit date: | 2023-01-16 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike. Plos Pathog., 19, 2023
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5H0T
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![BU of 5h0t by Molmil](/molmil-images/mine/5h0t) | Crystal structure of proliferating cell nuclear antigen from Leishmania donovani at 2.73 Angstrom resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, Proliferating cell nuclear antigen | Authors: | Singh, P.K, Yadav, S.P, Sharma, P.S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-10-06 | Release date: | 2016-11-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure and binding studies of proliferating cell nuclear antigen from Leishmania donovani. Biochim. Biophys. Acta, 1865, 2017
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3CG9
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![BU of 3cg9 by Molmil](/molmil-images/mine/3cg9) | Crystal structure of the complex of peptidoglycan recognition protein with methyloxane-2,3,4,5-tetrol at 2.9 A resolution | Descriptor: | L(+)-TARTARIC ACID, Peptidoglycan recognition protein, alpha-L-rhamnopyranose | Authors: | Sharma, P, Kaur, A, Singh, N, Sharma, S, Bhushan, A, Pathak, K.M.L, Kaur, P, Singh, T.P. | Deposit date: | 2008-03-05 | Release date: | 2008-04-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the complex of peptidoglycan recognition protein with methyoxane-2,3,4,5-tetrol at 2.9 A resolution To be Published
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8FU7
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![BU of 8fu7 by Molmil](/molmil-images/mine/8fu7) | Structure of Covid Spike variant deltaN135 in fully closed form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M. | Deposit date: | 2023-01-16 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike. Plos Pathog., 19, 2023
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3CXA
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![BU of 3cxa by Molmil](/molmil-images/mine/3cxa) | Crystal structure of the complex of peptidoglycan recognition protein with alpha-D-glucopyranosyl alpha-D-glucopyranoside at 3.4 A resolution | Descriptor: | L(+)-TARTARIC ACID, Peptidoglycan recognition protein, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | Authors: | Balaji, K, Sharma, P, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2008-04-24 | Release date: | 2008-05-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structure of the complex of peptidoglycan recognition protein with alpha-D-glucopyranosyl alpha-D-glucopyranoside at 3.4 A resolution To be Published
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3COR
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![BU of 3cor by Molmil](/molmil-images/mine/3cor) | Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) with N-acetylgalactosamine at 3.1 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, L(+)-TARTARIC ACID, Peptidoglycan recognition protein | Authors: | Sharma, P, Vikram, G, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2008-03-29 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) with N-acetylgalactosamine at 3.1 A resolution To be Published
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3NOE
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![BU of 3noe by Molmil](/molmil-images/mine/3noe) | Crystal Structure of Dihydrodipicolinate synthase from Pseudomonas aeruginosa | Descriptor: | Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL | Authors: | Kaur, N, Kumar, S, Singh, N, Gautam, A, Sharma, R, Sharma, S, Tewari, R, Singh, T.P. | Deposit date: | 2010-06-25 | Release date: | 2010-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of Dihydrodipicolinate synthase from Pseudomonas aeruginosa To be Published
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5E0B
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![BU of 5e0b by Molmil](/molmil-images/mine/5e0b) | Crystal structure of the complex of Peptidoglycan recognition protein PGRP-S with N-Acetyl Muramic acid at 2.6 A resolution | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, N-acetyl-beta-muramic acid, ... | Authors: | Sharma, P, Yamini, S, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-09-28 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the complex of Peptidoglycan recognition protein PGRP-S with N-Acetyl Muramic acid at 2.6 A resolution To Be Published
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3NG4
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![BU of 3ng4 by Molmil](/molmil-images/mine/3ng4) | Ternary complex of peptidoglycan recognition protein (PGRP-S) with Maltose and N-Acetylglucosamine at 1.7 A Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Peptidoglycan recognition protein 1, ... | Authors: | Sharma, P, Dube, D, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-06-10 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Multiligand specificity of pathogen-associated molecular pattern-binding site in peptidoglycan recognition protein J.Biol.Chem., 286, 2011
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3NW3
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![BU of 3nw3 by Molmil](/molmil-images/mine/3nw3) | Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) with the PGN Fragment at 2.5 A resolution | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, ALANINE, D-GLUTAMINE, ... | Authors: | Sharma, P, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-07-09 | Release date: | 2010-08-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multiligand specificity of pathogen-associated molecular pattern-binding site in peptidoglycan recognition protein J.Biol.Chem., 286, 2011
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3O4K
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![BU of 3o4k by Molmil](/molmil-images/mine/3o4k) | Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) and lipoteichoic acid at 2.1 A resolution | Descriptor: | (2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Sharma, P, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-07-27 | Release date: | 2010-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural basis of recognition of pathogen-associated molecular patterns and inhibition of proinflammatory cytokines by camel peptidoglycan recognition protein J.Biol.Chem., 286, 2011
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3OGX
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![BU of 3ogx by Molmil](/molmil-images/mine/3ogx) | Crystal structure of the complex of Peptidoglycan Recognition protein (PGRP-s) with Heparin-Dissacharide at 2.8 A resolution | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Sharma, P, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-08-17 | Release date: | 2010-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of heparin binding to camel peptidoglycan recognition protein-S Int J Biochem Mol Biol, 3, 2012
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8DU7
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![BU of 8du7 by Molmil](/molmil-images/mine/8du7) | Room-temperature serial synchrotron crystallography (SSX) structure of apo PTP1B | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Ebrahim, A, Sharma, S, Keedy, D.A. | Deposit date: | 2022-07-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B. Acta Crystallogr.,Sect.F, 79, 2023
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5HPW
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![BU of 5hpw by Molmil](/molmil-images/mine/5hpw) | Mode of binding of antithyroid drug, propylthiouracil to lactoperoxidase: Binding studies and structure determination | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Singh, R.P, Singh, A, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-01-21 | Release date: | 2016-04-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mode of binding of antithyroid drug, propylthiouracil to lactoperoxidase: Binding studies and structure determination To Be Published
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5HAC
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![BU of 5hac by Molmil](/molmil-images/mine/5hac) | Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani at 2.95 A resolution | Descriptor: | Proliferating cell nuclear antigen | Authors: | Singh, P.K, Yadav, S.P, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-12-30 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani at 2.95 A resolution To Be Published
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8VXF
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![BU of 8vxf by Molmil](/molmil-images/mine/8vxf) | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | Descriptor: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | Authors: | Thompson, A.A, Milligan, C.M, Sharma, S. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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8VXD
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![BU of 8vxd by Molmil](/molmil-images/mine/8vxd) | |
8EA9
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![BU of 8ea9 by Molmil](/molmil-images/mine/8ea9) | NKG2D complexed with inhibitor 4d | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA6
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![BU of 8ea6 by Molmil](/molmil-images/mine/8ea6) | NKG2D complexed with inhibitor 3e | Descriptor: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA5
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![BU of 8ea5 by Molmil](/molmil-images/mine/8ea5) | NKG2D complexed with inhibitor 1a | Descriptor: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione, NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA8
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![BU of 8ea8 by Molmil](/molmil-images/mine/8ea8) | NKG2D complexed with inhibitor 4a | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA7
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![BU of 8ea7 by Molmil](/molmil-images/mine/8ea7) | NKG2D complexed with inhibitor 3g | Descriptor: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, DI(HYDROXYETHYL)ETHER, NKG2-D type II integral membrane protein | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAB
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![BU of 8eab by Molmil](/molmil-images/mine/8eab) | NKG2D complexed with inhibitor 4f | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAA
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![BU of 8eaa by Molmil](/molmil-images/mine/8eaa) | NKG2D complexed with inhibitor 4e | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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1OYO
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![BU of 1oyo by Molmil](/molmil-images/mine/1oyo) | Regulation of protease activity by melanin: Crystal structure of the complex formed between proteinase K and melanin monomers at 2.0 resolution | Descriptor: | 3H-INDOLE-5,6-DIOL, CALCIUM ION, Proteinase K | Authors: | Singh, N, Sharma, S, Kumar, S, Raman, G, Singh, T.P. | Deposit date: | 2003-04-06 | Release date: | 2003-05-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Regulation of protease activity by melanin: Crystal structure of the complex formed between proteinase K and melanin monomers at 2.0 resolution To be Published
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