1KEB
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![BU of 1keb by Molmil](/molmil-images/mine/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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2FA7
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![BU of 2fa7 by Molmil](/molmil-images/mine/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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2DOJ
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![BU of 2doj by Molmil](/molmil-images/mine/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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2R5Z
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![BU of 2r5z by Molmil](/molmil-images/mine/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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2R5Y
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![BU of 2r5y by Molmil](/molmil-images/mine/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
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![BU of 2r71 by Molmil](/molmil-images/mine/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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2Q8J
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![BU of 2q8j by Molmil](/molmil-images/mine/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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2QJE
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![BU of 2qje by Molmil](/molmil-images/mine/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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3TQ1
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![BU of 3tq1 by Molmil](/molmil-images/mine/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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7UFG
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![BU of 7ufg by Molmil](/molmil-images/mine/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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2OXO
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![BU of 2oxo by Molmil](/molmil-images/mine/2oxo) | |
3OHB
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![BU of 3ohb by Molmil](/molmil-images/mine/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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2R2K
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![BU of 2r2k by Molmil](/molmil-images/mine/2r2k) | Crystal structure of the complex of camel peptidoglycan recognition protein with disaccharide at 3.2A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, L(+)-TARTARIC ACID, Peptidoglycan recognition protein | Authors: | Sharma, P, Jain, R, Singh, N, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P. | Deposit date: | 2007-08-26 | Release date: | 2007-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structure of the complex of camel peptidoglycan recognition protein with disaccharide at 3.2A resolution To be Published
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2QF8
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![BU of 2qf8 by Molmil](/molmil-images/mine/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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3OHA
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![BU of 3oha by Molmil](/molmil-images/mine/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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8D8O
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![BU of 8d8o by Molmil](/molmil-images/mine/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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7JTP
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![BU of 7jtp by Molmil](/molmil-images/mine/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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7JTO
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![BU of 7jto by Molmil](/molmil-images/mine/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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5D9K
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![BU of 5d9k by Molmil](/molmil-images/mine/5d9k) | Rsk2 N-terminal Kinase in Complex with BI-D1870 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3 | Authors: | Appleton, B.A. | Deposit date: | 2015-08-18 | Release date: | 2015-09-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of Potent and Selective RSK Inhibitors as Biological Probes. J.Med.Chem., 58, 2015
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5D9L
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![BU of 5d9l by Molmil](/molmil-images/mine/5d9l) | Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole | Descriptor: | 4,4'-(1H-pyrazole-3,4-diyl)diphenol, GLYCEROL, Ribosomal protein S6 kinase alpha-3 | Authors: | Appleton, B.A. | Deposit date: | 2015-08-18 | Release date: | 2015-09-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Potent and Selective RSK Inhibitors as Biological Probes. J.Med.Chem., 58, 2015
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4WAF
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![BU of 4waf by Molmil](/molmil-images/mine/4waf) | Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | Descriptor: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2014-08-29 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. Acs Med.Chem.Lett., 6, 2015
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1C74
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![BU of 1c74 by Molmil](/molmil-images/mine/1c74) | Structure of the double mutant (K53,56M) of phospholipase A2 | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Sekar, K, Tsai, M.D, Jain, M.K, Ramakumar, S. | Deposit date: | 2000-01-22 | Release date: | 2000-07-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of the anionic interface preference and k*cat activation of pancreatic phospholipase A2. Biochemistry, 39, 2000
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6VK9
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![BU of 6vk9 by Molmil](/molmil-images/mine/6vk9) | Cryo-EM structure of PilA-N/C from Geobacter sulfurreducens | Descriptor: | Geopilin domain 1 protein, Geopilin domain 2 protein | Authors: | Gu, Y, Srikanth, V, Malvankar, N.S, Samatey, F.A. | Deposit date: | 2020-01-19 | Release date: | 2021-07-07 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of Geobacter pili reveals secretory rather than nanowire behaviour Nature, 597, 2021
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7LM2
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![BU of 7lm2 by Molmil](/molmil-images/mine/7lm2) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | Authors: | Lesburg, C.A, Augustin, M. | Deposit date: | 2021-02-05 | Release date: | 2021-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K delta Immunomodulators. J.Med.Chem., 64, 2021
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3DSQ
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![BU of 3dsq by Molmil](/molmil-images/mine/3dsq) | |