2CXV
 
 | | Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-Derived betaLactone: Selective Crystallization and High-resolution Structure of the His-102 Adduct | | Descriptor: | N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Probable protein P3C | | Authors: | Yin, J, Bergmann, E.M, Cherney, M.M, Lall, M.S, Jain, R.P, Vederas, J.C, James, M.N.G. | | Deposit date: | 2005-07-01 | | Release date: | 2005-12-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-derived beta-Lactone: Selective Crystallization and Formation of a Functional Catalytic Triad in the Active Site
J.MOL.BIOL., 354, 2005
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5KQS
 | | Structure of NS5 methyltransferase from Zika virus bound to S-adenosylmethionine and 7-methyl-guanosine-5'-diphosphate | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ACETATE ION, GLYCEROL, ... | | Authors: | Coloma, J, Jain, R, Rajashankar, K.R, Aggarwal, A.K. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of NS5 Methyltransferase from Zika Virus.
Cell Rep, 16, 2016
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3K7Y
 | | Aspartate Aminotransferase of Plasmodium falciparum | | Descriptor: | ACETATE ION, Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Groves, M.R, Jordanova, R, Jain, R, Wrenger, C, Muller, I.B. | | Deposit date: | 2009-10-13 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Specific Inhibition of the Aspartate Aminotransferase of Plasmodium falciparum.
J.Mol.Biol., 405, 2011
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3MFH
 | | DNA Polymerase Eta in Complex With Undamaged DNA | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*TP*CP*CP*TP*CP*CP*CP*CP*TP*(DOC))-3', 5'-D(*TP*AP*AP*TP*TP*GP*AP*GP*GP*GP*GP*AP*GP*GP*AP*C)-3', ... | | Authors: | Silverstein, T.D, Johnson, R.E, Jain, R, Prakash, L, Prakash, S, Aggarwal, A.K. | | Deposit date: | 2010-04-02 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the suppression of skin cancers by DNA polymerase eta.
Nature, 465, 2010
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3OHB
 | | Yeast DNA polymerase eta extending from an 8-oxoG lesion | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*TP*CP*CP*TP*CP*CP*CP*CP*TP*(DOC))-3', 5'-D(*TP*AP*AP*TP*GP*(8OG)P*AP*GP*GP*GP*GP*AP*GP*GP*AP*C)-3', ... | | Authors: | Silverstein, T.D, Jain, R, Aggarwal, A.K. | | Deposit date: | 2010-08-17 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for error-free replication of oxidatively damaged DNA by yeast DNA polymerase eta.
Structure, 18, 2010
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2DOJ
 | | Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with adenosine at 2.4 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE, CARBONATE ION, ... | | Authors: | Singh, N, Jain, R, Sharma, S, Singh, T.P. | | Deposit date: | 2006-04-30 | | Release date: | 2006-05-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with adenosine at 2.4 A resolution
To be Published
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2FA7
 | | Crystal structure of the complex of bovine lactoferrin C-lobe with a pentasaccharide at 2.38 A resolution | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Singh, N, Jain, R, Jabeen, T, Sharma, S, Bhushan, A, Singh, T.P. | | Deposit date: | 2005-12-07 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal structure of the complex of bovine lactoferrin C-lobe with a pentasaccharide at 2.38 A resolution
To be Published
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2OXO
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6V93
 | | Structure of DNA Polymerase Zeta/DNA/dNTP Ternary Complex | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA, ... | | Authors: | Malik, R, Kopylov, M, Jain, R, Ubarrextena-Belandia, I, Aggarwal, A.K. | | Deposit date: | 2019-12-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure and mechanism of B-family DNA polymerase zeta specialized for translesion DNA synthesis.
Nat.Struct.Mol.Biol., 27, 2020
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3OHA
 | | Yeast DNA polymerase eta inserting dCTP opposite an 8oxoG lesion | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*TP*CP*CP*TP*CP*CP*CP*CP*TP*(DOC))-3', 5'-D(P*TP*(8OG)P*GP*AP*GP*GP*GP*GP*AP*GP*GP*AP*C)-3', ... | | Authors: | Silverstein, T.D, Jain, R, Aggarwal, A.K. | | Deposit date: | 2010-08-17 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for error-free replication of oxidatively damaged DNA by yeast DNA polymerase eta.
Structure, 18, 2010
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2Q8J
 | | Crystal Structure of the complex of C-lobe of bovine lactoferrin with Mannitol and Mannose at 2.7 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Jain, R, Sinha, M, Singh, N, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | | Deposit date: | 2007-06-11 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of the complex of C-lobe of bovine lactoferrin with Mannitol and Mannose at 2.7 A resolution
To be Published
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3TQ1
 | | Human DNA Polymerase eta in binary complex with DNA | | Descriptor: | DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*TP*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta | | Authors: | Ummat, A, Silverstein, T.D, Jain, R, Buku, A, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K. | | Deposit date: | 2011-09-08 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.556 Å) | | Cite: | Human DNA Polymerase Eta Is Pre-Aligned for dNTP Binding and Catalysis.
J.Mol.Biol., 415, 2012
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2QF8
 | | Crystal structure of the complex of Buffalo Secretory Glycoprotein with tetrasaccharide at 2.8A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1 | | Authors: | Singh, A.K, Jain, R, Sinha, M, Kumar, A, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-06-27 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the complex of Buffalo Secretory Glycoprotein with Tetrasaccharide at 2.8A resolution
To be Published
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2ZBH
 | | Crystal structure of the complex of phospholipase A2 with Bavachalcone from Aerva lanata at 2.6 A resolution | | Descriptor: | (2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Kumar, S, Damodar, N.C, Jain, R, Singh, N, Sharma, S, Kaur, P, Haridas, M, Srinivasan, A, Singh, T.P. | | Deposit date: | 2007-10-20 | | Release date: | 2007-11-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the complex of phospholipase A2 with Bavachalcone from Aerva lanata at 2.6 A resolution
To be Published
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2Z9N
 | | Crystal structure of cameline peptidoglycan recognition protein at 3.2 A resolution | | Descriptor: | L(+)-TARTARIC ACID, Peptidoglycan recognition protein | | Authors: | Sharma, P, Jain, R, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-09-21 | | Release date: | 2007-10-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of cameline peptidoglycan recognition protein at 3.2 A resolution
To be Published
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2R5Y
 | | Structure of Scr/Exd complex bound to a consensus Hox-Exd site | | Descriptor: | DNA (5'-D(*DAP*DCP*DTP*DCP*DTP*DAP*DTP*DGP*DAP*DTP*DTP*DTP*DAP*DTP*DGP*DGP*DGP*DCP*DTP*DG)-3'), DNA (5'-D(*DTP*DCP*DAP*DGP*DCP*DCP*DCP*DAP*DTP*DAP*DAP*DAP*DTP*DCP*DAP*DTP*DAP*DGP*DAP*DG)-3'), Homeobox protein extradenticle, ... | | Authors: | Aggarwal, A.K, Passner, J.M, Jain, R. | | Deposit date: | 2007-09-04 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functional specificity of a Hox protein mediated by the recognition of minor groove structure
Cell(Cambridge,Mass.), 131, 2007
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2R71
 | | Crystal structure of the complex of bovine C-lobe with inositol at 2.1A resolution | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Jain, R, Kumar, S, Sinha, M, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-09-07 | | Release date: | 2007-10-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of the complex of bovine C-lobe with inositol at 2.1A resolution
To be Published
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2R5Z
 | | Structure of Scr/Exd complex bound to a DNA sequence derived from the fkh gene | | Descriptor: | DNA (5'-D(*DAP*DCP*DTP*DCP*DTP*DAP*DAP*DGP*DAP*DTP*DTP*DAP*DAP*DTP*DCP*DGP*DGP*DCP*DTP*DG)-3'), DNA (5'-D(*DTP*DCP*DAP*DGP*DCP*DCP*DGP*DAP*DTP*DTP*DAP*DAP*DTP*DCP*DTP*DTP*DAP*DGP*DAP*DG)-3'), Homeobox protein extradenticle, ... | | Authors: | Aggarwal, A.K, Passner, J.M, Jain, R. | | Deposit date: | 2007-09-04 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functional specificity of a Hox protein mediated by the recognition of minor groove structure
Cell(Cambridge,Mass.), 131, 2007
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2A4O
 | | Dual modes of modification of Hepatitis A virus 3C protease by a serine derived beta-lactone: selective crytstallization and high resolution structure of the His102 adduct | | Descriptor: | ACETYL GROUP, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PHENYLALANINE AMIDE, ... | | Authors: | Yin, J, Bergmann, E.M, Cherney, M.M, Lall, M.S, Jain, R.P, Vederas, J.C, James, M.N.G. | | Deposit date: | 2005-06-29 | | Release date: | 2005-12-27 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-derived beta-Lactone: Selective Crystallization and Formation of a Functional Catalytic Triad in the Active Site
J.MOL.BIOL., 354, 2005
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2QJE
 | | Crystal structure of the complex of Bovine C-lobe with Amygdalin at 2.3A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Mir, R, Jain, R, Kumar, S, Sinha, M, Singh, N, Sharma, S, Kaur, P, Srinivasan, A, Bhushan, A, Singh, T.P. | | Deposit date: | 2007-07-07 | | Release date: | 2008-06-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the complex of Bovine C-lobe with Amygdalin at 2.3A resolution
To be Published
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7JTP
 | | Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | | Descriptor: | Elongin-B, Elongin-C, GLYCEROL, ... | | Authors: | Kottur, J, Jain, R, Aggarwal, A.K. | | Deposit date: | 2020-08-18 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
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8D8O
 | | Cryo-EM structure of substrate unbound PAPP-A | | Descriptor: | Pappalysin-1, ZINC ION | | Authors: | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | | Deposit date: | 2022-06-08 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition
Nat Commun, 13, 2022
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1KEB
 | | Crystal Structure of Double Mutant M37L,P40S E.coli Thioredoxin | | Descriptor: | COPPER (II) ION, Thioredoxin 1 | | Authors: | Rudresh, Jain, R, Dani, V, Mitra, A, Srivastava, S, Sarma, S.P, Varadarajan, R, Ramakumar, S. | | Deposit date: | 2001-11-15 | | Release date: | 2002-11-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Consequences of Replacement of an alpha-helical Pro Residue in E.coli Thioredoxin
PROTEIN ENG., 15, 2002
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7JTO
 | | Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ... | | Authors: | Kottur, J, Jain, R, Aggarwal, A.K. | | Deposit date: | 2020-08-18 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
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7UFG
 | | Cryo-EM structure of PAPP-A in complex with IGFBP5 | | Descriptor: | Insulin-like growth factor-binding protein 5, Pappalysin-1, ZINC ION | | Authors: | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | | Deposit date: | 2022-03-22 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition
Nat Commun, 13, 2022
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