2IC5
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![BU of 2ic5 by Molmil](/molmil-images/mine/2ic5) | Crystal structure of human RAC3 grown in the presence of Gpp(NH)p. | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ugochukwu, E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-12 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human RAC3 grown in the presence of Gpp(NH)p. To be Published
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2W3C
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![BU of 2w3c by Molmil](/molmil-images/mine/2w3c) | Globular head region of the human general vesicular transport factor p115 | Descriptor: | DI(HYDROXYETHYL)ETHER, GENERAL VESICULAR TRANSPORT FACTOR P115 | Authors: | Striegl, H, Roske, Y, Kummel, D, Heinemann, U. | Deposit date: | 2008-11-11 | Release date: | 2009-03-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Unusual Armadillo Fold in the Human General Vesicular Transport Factor P115 Plos One, 4, 2009
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2ICS
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![BU of 2ics by Molmil](/molmil-images/mine/2ics) | Crystal structure of an adenine deaminase | Descriptor: | ADENINE, Adenine Deaminase, ZINC ION | Authors: | Sugadev, R, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-09-13 | Release date: | 2006-10-17 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an adenine deaminase TO BE PUBLISHED
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2W9L
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![BU of 2w9l by Molmil](/molmil-images/mine/2w9l) | CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID | Descriptor: | COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution. PLoS Pathog., 5, 2009
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8J3R
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![BU of 8j3r by Molmil](/molmil-images/mine/8j3r) | Cryo-EM structure of the AsCas12f-HKRA-sgRNAS3-5v7-target DNA | Descriptor: | DNA (37-MER), DNA (38-MER), MAGNESIUM ION, ... | Authors: | Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O. | Deposit date: | 2023-04-18 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Minimal and most efficient genome editing Cas enzyme To Be Published
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2VNM
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![BU of 2vnm by Molmil](/molmil-images/mine/2vnm) | Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2008-02-05 | Release date: | 2008-05-20 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability. J.Med.Chem., 51, 2008
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2IGW
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![BU of 2igw by Molmil](/molmil-images/mine/2igw) | CYCLOPHILIN 3 complexed with DIPEPTIDE GLY-PRO | Descriptor: | GLYCINE, PROLINE, Peptidyl-prolyl cis-trans isomerase 3 | Authors: | Kan, D. | Deposit date: | 2006-09-25 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Experimental Determination of van der Waals Energies in a Biological System. Angew.Chem.Int.Ed.Engl., 46, 2007
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8J1J
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![BU of 8j1j by Molmil](/molmil-images/mine/8j1j) | Cryo-EM structure of the AsCas12f-YHAM-sgRNAS3-5v7-target DNA | Descriptor: | DNA (38-MER), MAGNESIUM ION, RNA (118-MER), ... | Authors: | Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O. | Deposit date: | 2023-04-13 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Minimal and most efficient genome editing Cas enzyme To Be Published
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8JHE
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![BU of 8jhe by Molmil](/molmil-images/mine/8jhe) | Hyper-thermostable ancestral L-amino acid oxidase 2 (HTAncLAAO2) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Hyper thermostable ancestral L-amino acid oxidase | Authors: | Kawamura, Y, Ishida, C, Miyata, R, Miyata, A, Hayashi, S, Fujinami, D, Ito, S, Nakano, S. | Deposit date: | 2023-05-23 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structural and functional analysis of hyper-thermostable ancestral L-amino acid oxidase that can convert Trp derivatives to D-forms by chemoenzymatic reaction. Commun Chem, 6, 2023
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1JN2
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![BU of 1jn2 by Molmil](/molmil-images/mine/1jn2) | Crystal Structure of meso-tetrasulphonatophenyl porphyrin complexed with Concanavalin A | Descriptor: | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE, CALCIUM ION, Concanavalin-A, ... | Authors: | Goel, M, Jain, D, Kaur, K.J, Kenoth, R, Maiya, B.G, Swamy, M.J, Salunke, D.M. | Deposit date: | 2001-07-22 | Release date: | 2003-07-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional equality in the absence of structural similarity: an added dimension to
molecular mimicry J.Biol.Chem., 276, 2000
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2IOH
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![BU of 2ioh by Molmil](/molmil-images/mine/2ioh) | Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E. | Deposit date: | 2006-10-10 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage. Bioorg.Chem., 34, 2006
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1JR6
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![BU of 1jr6 by Molmil](/molmil-images/mine/1jr6) | |
2WCG
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![BU of 2wcg by Molmil](/molmil-images/mine/2wcg) | X-ray structure of acid-beta-glucosidase with N-octyl(cyclic guanidine)-nojirimycin in the active site | Descriptor: | CHLORIDE ION, GLUCOSYLCERAMIDASE, N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM, ... | Authors: | Brumshtein, B, Aguilar, M, Garcia-Moreno, M.I, Mellet, C.O, Garcia-Fernandez, J.M, Silman, I, Shaaltiel, Y, Aviezer, D, Sussman, J.L, Futerman, A.H. | Deposit date: | 2009-03-12 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 6-Amino-6-Deoxy-5,6-Di-N-(N'-Octyliminomethylidene)Nojirimycin: Synthesis, Biological Evaluation, and Crystal Structure in Complex with Acid Beta-Glucosidase. Chembiochem, 10, 2009
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2W4B
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![BU of 2w4b by Molmil](/molmil-images/mine/2w4b) | Epstein-Barr virus alkaline nuclease D203S mutant | Descriptor: | ALKALINE EXONUCLEASE | Authors: | Buisson, M, Geoui, T, Flot, D, Tarbouriech, N, Burmeister, W.P. | Deposit date: | 2008-11-24 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A Bridge Crosses the Active Site Canyon of the Epstein-Barr Virus Nuclease with DNase and Rnase Activity. J.Mol.Biol., 391, 2009
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2VZX
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![BU of 2vzx by Molmil](/molmil-images/mine/2vzx) | Structural and spectroscopic characterization of photoconverting fluorescent protein Dendra2 | Descriptor: | GLYCEROL, Green fluorescent protein, TETRAETHYLENE GLYCOL | Authors: | Adam, V, Nienhaus, K, Bourgeois, D, Nienhaus, G.U. | Deposit date: | 2008-08-06 | Release date: | 2009-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Enhanced Photoconversion Yield in Green Fluorescent Protein-Like Protein Dendra2. Biochemistry, 48, 2009
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1JTQ
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![BU of 1jtq by Molmil](/molmil-images/mine/1jtq) | E. coli TS Complex with dUMP and the Pyrrolo(2,3-d)pyrimidine-based Antifolate LY341770 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID, THYMIDYLATE SYNTHASE | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | Deposit date: | 2001-08-21 | Release date: | 2001-09-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313, 2001
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2W1I
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![BU of 2w1i by Molmil](/molmil-images/mine/2w1i) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM, JAK2 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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2WF4
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![BU of 2wf4 by Molmil](/molmil-images/mine/2wf4) | Human BACE-1 in complex with 6-ethyl-1-methyl-N-((1S)-2-oxo-1-(phenylmethyl)-3-(tetrahydro-2H-pyran-4-ylamino)propyl)-1,3,4,6- tetrahydro(1,2)thiazepino(5,4,3-cd)indole-8-carboxamide 2,2-dioxide | Descriptor: | BETA-SECRETASE 1, N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-12 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Second Generation of Bace-1 Inhibitors Part 3: Towards Non Hydroxyethylamine Transition State Mimetics. Bioorg.Med.Chem.Lett., 19, 2009
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1JR3
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![BU of 1jr3 by Molmil](/molmil-images/mine/1jr3) | Crystal Structure of the Processivity Clamp Loader Gamma Complex of E. coli DNA Polymerase III | Descriptor: | DNA polymerase III subunit gamma, DNA polymerase III, delta subunit, ... | Authors: | Jeruzalmi, D, O'Donnell, M, Kuriyan, J. | Deposit date: | 2001-08-10 | Release date: | 2001-09-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the processivity clamp loader gamma (gamma) complex of E. coli DNA polymerase III. Cell(Cambridge,Mass.), 106, 2001
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6YJM
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![BU of 6yjm by Molmil](/molmil-images/mine/6yjm) | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972 | Descriptor: | (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | Authors: | Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M. | Deposit date: | 2020-04-03 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis. J.Med.Chem., 64, 2021
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2J63
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![BU of 2j63 by Molmil](/molmil-images/mine/2j63) | Crystal structure of AP endonuclease LMAP from Leishmania major | Descriptor: | AP-ENDONUCLEASE | Authors: | Vidal, A.E, Harkiolaki, M, Gallego, C, Castillo-Acosta, V.M, Ruiz-Perez, L.M, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2006-09-25 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structure and DNA Repair Activities of the Ap Endonuclease from Leishmania Major. J.Mol.Biol., 373, 2007
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2WF1
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![BU of 2wf1 by Molmil](/molmil-images/mine/2wf1) | Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2- dioxide | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide | Authors: | Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-19 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent. Bioorg.Med.Chem.Lett., 19, 2009
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1JTS
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![BU of 1jts by Molmil](/molmil-images/mine/1jts) | |
2W6K
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![BU of 2w6k by Molmil](/molmil-images/mine/2w6k) | The crystal structure at 1.7 A resolution of CobE, a protein from the cobalamin (vitamin B12) biosynthetic pathway | Descriptor: | COBE, GLYCEROL, SULFATE ION | Authors: | Vevodova, J, Smith, D, McGoldrick, H, Deery, E, Murzin, A.G, Warren, M.J, Wilson, K.S. | Deposit date: | 2008-12-18 | Release date: | 2008-12-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure at 1.7 A Resolution of Cobe, a Protein from the Cobalamin (Vitamin B12) Biosynthetic Pathway To be Published
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1JYI
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![BU of 1jyi by Molmil](/molmil-images/mine/1jyi) | CONCANAVALIN A/12-MER PEPTIDE COMPLEX | Descriptor: | 12-mer peptide, CALCIUM ION, Concanavalin-Br, ... | Authors: | Jain, D, Kaur, K.J, Sundaravadivel, B, Salunke, D.M. | Deposit date: | 2001-09-12 | Release date: | 2002-09-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural and Functional Consequences of Peptide-carbohydrate Mimicry. Crystal Structure of a Carbohydrate-mimicking Peptide Bound to Concanavalin A. J.Biol.Chem., 275, 2000
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