4YI9
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4YI8
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5UV1
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![BU of 5uv1 by Molmil](/molmil-images/mine/5uv1) | Crystal Structure of (+)-Limonene Synthase Complexed with 2-Fluorogeranyl Diphosphate | Descriptor: | (+)-limonene synthase, (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, MANGANESE (II) ION | Authors: | Prem Kumar, R, Malik, K, Oprian, D.D. | Deposit date: | 2017-02-17 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Characterization of Early Michaelis Complexes in the Reaction Catalyzed by (+)-Limonene Synthase from Citrus sinensis Using Fluorinated Substrate Analogues. Biochemistry, 56, 2017
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5UV2
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![BU of 5uv2 by Molmil](/molmil-images/mine/5uv2) | Crystal Structure of (+)-Limonene Synthase Complexed with 2-Fluoroneryl Diphosphate | Descriptor: | (+)-limonene synthase, (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, MANGANESE (II) ION | Authors: | Prem Kumar, R, Malik, K, Oprian, D.D. | Deposit date: | 2017-02-17 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of Early Michaelis Complexes in the Reaction Catalyzed by (+)-Limonene Synthase from Citrus sinensis Using Fluorinated Substrate Analogues. Biochemistry, 56, 2017
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5VYD
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![BU of 5vyd by Molmil](/molmil-images/mine/5vyd) | Crystal structure of phosphodiesterase domain of RhoPDE fusion protein from the Choanoflagellate Salpingoeca rosetta | Descriptor: | MAGNESIUM ION, Phosphodiesterase, ZINC ION | Authors: | Prem Kumar, R, Lamarche, L.B, Oprian, D.D. | Deposit date: | 2017-05-25 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Purification and Characterization of RhoPDE, a Retinylidene/Phosphodiesterase Fusion Protein and Potential Optogenetic Tool from the Choanoflagellate Salpingoeca rosetta. Biochemistry, 56, 2017
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5UV0
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3H1X
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![BU of 3h1x by Molmil](/molmil-images/mine/3h1x) | Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site | Descriptor: | INDOMETHACIN, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | Authors: | Singh, N, Prem Kumar, R, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2009-04-14 | Release date: | 2009-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Simultaneous inhibition of anti-coagulation and inflammation: crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand-binding site J.Mol.Recognit., 22, 2009
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1SQZ
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![BU of 1sqz by Molmil](/molmil-images/mine/1sqz) | Design of specific inhibitors of Phopholipase A2: Crystal structure of the complex formed between Group II Phopholipase A2 and a designed peptide Dehydro-Ile-Ala-Arg-Ser at 1.2A resolution | Descriptor: | Phospholipase A2, SULFATE ION, synthetic peptide | Authors: | Singh, N, Prem Kumar, R, Somvanshi, R.K, Bilgrami, S, Ethayathulla, A.S, Sharma, S, Dey, S, Singh, T.P. | Deposit date: | 2004-03-22 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Design of specific inhibitors of Phopholipase A2: Crystal structure of the complex formed between GroupII Phopholipase A2 and a designed peptide Dehydro-Ile-Ala-Arg-Ser at 1.2A resolution To be Published
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1I5W
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![BU of 1i5w by Molmil](/molmil-images/mine/1i5w) | A-DNA DECAMER GCGTA(TLN)ACGC | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(TLN)P*AP*CP*GP*C)-3' | Authors: | Egli, M, Minasov, G, Teplova, M, Kumar, R, Wengel, J. | Deposit date: | 2001-03-01 | Release date: | 2001-04-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray crystal structure of a locked nucleic acid (LNA) duplex composed of a palindromic 10-mer DNA strand containing one LNA thymine monomer J.Chem.Soc.,Chem.Commun., 2001
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4TOF
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![BU of 4tof by Molmil](/molmil-images/mine/4tof) | 1.65A resolution structure of BfrB (C89S, K96C) crystal form 1 from Pseudomonas aeruginosa | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterioferritin, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4TOB
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![BU of 4tob by Molmil](/molmil-images/mine/4tob) | 1.95A resolution structure of BfrB (Q151L) from Pseudomonas aeruginosa | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bacterioferritin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4TOE
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![BU of 4toe by Molmil](/molmil-images/mine/4toe) | 2.20A resolution structure of Iron Bound BfrB (D34F) from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin, FE (II) ION, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4TO9
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![BU of 4to9 by Molmil](/molmil-images/mine/4to9) | 2.0A resolution structure of BfrB (N148L) from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4TOC
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![BU of 4toc by Molmil](/molmil-images/mine/4toc) | 2.25A resolution structure of Iron Bound BfrB (Q151L) from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4TOD
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![BU of 4tod by Molmil](/molmil-images/mine/4tod) | 2.05A resolution structure of BfrB (D34F) from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4TOA
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![BU of 4toa by Molmil](/molmil-images/mine/4toa) | 1.95A resolution structure of Iron Bound BfrB (N148L) from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin, FE (II) ION, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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2H4I
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![BU of 2h4i by Molmil](/molmil-images/mine/2h4i) | Crystal structure of the complex of proteolytically produced C-terminal half of bovine lactoferrin with lactose at 2.55 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Prem kumar, R, Sinha, M, Singh, N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2006-05-24 | Release date: | 2006-06-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of the complex of proteolytically produced C-terminal half of bovine lactoferrin with lactose at 2.55 A resolution To be Published
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4TOG
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![BU of 4tog by Molmil](/molmil-images/mine/4tog) | 1.80A resolution structure of BfrB (C89S, K96C) crystal form 2 from Pseudomonas aeruginosa | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterioferritin, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4TOH
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![BU of 4toh by Molmil](/molmil-images/mine/4toh) | 1.80A resolution structure of Iron Bound BfrB (C89S, K96C) from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin, FE (II) ION, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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2HCA
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![BU of 2hca by Molmil](/molmil-images/mine/2hca) | Crystal structure of bovine lactoferrin C-lobe liganded with Glucose at 2.8 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Prem Kumar, R, Ethayathulla, A.S, Singh, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2006-06-15 | Release date: | 2006-06-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of bovine lactoferrin C-lobe liganded with Glucose at 2.8 A resolution To be Published
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4E6K
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![BU of 4e6k by Molmil](/molmil-images/mine/4e6k) | 2.0 A resolution structure of Pseudomonas aeruginosa bacterioferritin (BfrB) in complex with bacterioferritin associated ferredoxin (Bfd) | Descriptor: | Bacterioferritin, FE2/S2 (INORGANIC) CLUSTER, PHOSPHATE ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Wang, Y, Kumar, R, Ruvinsky, A, Vasker, I, Rivera, M. | Deposit date: | 2012-03-15 | Release date: | 2012-08-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of the BfrB-Bfd Complex Reveals Protein-Protein Interactions Enabling Iron Release from Bacterioferritin. J.Am.Chem.Soc., 134, 2012
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3K3W
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![BU of 3k3w by Molmil](/molmil-images/mine/3k3w) | Thermostable Penicillin G acylase from Alcaligenes faecalis in orthorhombic form | Descriptor: | CALCIUM ION, Penicillin G acylase | Authors: | Varshney, N.K, Kumar, R.S, Ignatova, Z, Dodson, E, Suresh, C.G. | Deposit date: | 2009-10-05 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Crystallization and X-ray structure analysis of a thermostable penicillin G acylase from Alcaligenes faecalis. Acta Crystallogr.,Sect.F, 68, 2012
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2DVC
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![BU of 2dvc by Molmil](/molmil-images/mine/2dvc) | Structure of the bovine lactoferrin C-lobe complex with sucrose at 3.0 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Prem Kumar, R, Bhardwaj, R, Ethayathulla, A.S, Sinha, M, Singh, N, Bhushan, A, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2006-07-31 | Release date: | 2006-08-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the bovine lactoferrin C-lobe complex with sucrose at 3.0 A resolution To be Published
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4E3Q
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![BU of 4e3q by Molmil](/molmil-images/mine/4e3q) | PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ... | Authors: | Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. | Deposit date: | 2012-03-10 | Release date: | 2012-10-10 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin. Protein Eng.Des.Sel., 26, 2013
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3EKK
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![BU of 3ekk by Molmil](/molmil-images/mine/3ekk) | Insulin receptor kinase complexed with an inhibitor | Descriptor: | 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide, Insulin receptor | Authors: | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Sabbatini, P, Shewchuk, L. | Deposit date: | 2008-09-19 | Release date: | 2008-12-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
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