7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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2VC7
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![BU of 2vc7 by Molmil](/molmil-images/mine/2vc7) | Structural basis for natural lactonase and promiscuous phosphotriesterase activities | Descriptor: | (4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium, 1,2-ETHANEDIOL, ARYLDIALKYLPHOSPHATASE, ... | Authors: | Elias, M, Dupuy, J, Merone, L, Mandrich, L, Moniot, S, Rochu, D, Lecomte, C, Rossi, M, Masson, P, Manco, G, Chabriere, E. | Deposit date: | 2007-09-19 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis for Natural Lactonase and Promiscuous Phosphotriesterase Activities. J.Mol.Biol., 379, 2008
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2VEX
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![BU of 2vex by Molmil](/molmil-images/mine/2vex) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | MAGNESIUM ION, N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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6M4J
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![BU of 6m4j by Molmil](/molmil-images/mine/6m4j) | SspA in complex with cysteine | Descriptor: | CYSTEINE, PYRIDOXAL-5'-PHOSPHATE, SspA complex protein | Authors: | Liu, L, Gao, H. | Deposit date: | 2020-03-07 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Analysis of an l-Cysteine Desulfurase from an Ssp DNA Phosphorothioation System. Mbio, 11, 2020
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2VEV
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![BU of 2vev by Molmil](/molmil-images/mine/2vev) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | MAGNESIUM ION, N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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1ZK5
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![BU of 1zk5 by Molmil](/molmil-images/mine/1zk5) | Escherichia coli F17fG lectin domain complex with N-acetylglucosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F17G adhesin subunit | Authors: | Buts, L, Wellens, A, Van Molle, I, De Genst, E, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | Deposit date: | 2005-05-02 | Release date: | 2006-05-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Impact of natural variation in bacterial F17G adhesins on crystallization behaviour. Acta Crystallogr.,Sect.D, 61, 2005
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1ZKD
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![BU of 1zkd by Molmil](/molmil-images/mine/1zkd) | X-Ray structure of the putative protein Q6N1P6 from Rhodopseudomonas palustris at the resolution 2.1 A , Northeast Structural Genomics Consortium target RpR58 | Descriptor: | DUF185 | Authors: | Kuzin, A.P, Yong, W, Vorobiev, S.M, Acton, T, Ma, L, Xiao, R, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-05-02 | Release date: | 2005-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-Ray structure of the putative protein Q6N1P6 from Rhodopseudomonas palustris at the resolution 2.1 A , Northeast Structural Genomics Consortium target RpR58 To be Published
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1NVG
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![BU of 1nvg by Molmil](/molmil-images/mine/1nvg) | N249Y MUTANT OF THE ALCOHOL DEHYDROGENASE FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS-TETRAGONAL CRYSTAL FORM | Descriptor: | NAD-dependent alcohol dehydrogenase, ZINC ION | Authors: | Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A. | Deposit date: | 2003-02-03 | Release date: | 2003-08-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural study of a single-point mutant of Sulfolobus solfataricus alcohol dehydrogenase with enhanced activity Febs Lett., 539, 2003
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4A3Y
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![BU of 4a3y by Molmil](/molmil-images/mine/4a3y) | Crystal structure of Raucaffricine glucosidase from ajmaline biosynthesis pathway | Descriptor: | GLYCEROL, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | Authors: | Xia, L, Ruppert, M, Wang, M, Panjikar, S, Barleben, L, Rajendran, C, Lin, H, Stoeckigt, J. | Deposit date: | 2011-10-06 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity. Acs Chem.Biol., 7, 2012
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4Z8Q
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![BU of 4z8q by Molmil](/molmil-images/mine/4z8q) | CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 COMPLEX, SELENOMETHIONINE SUBSTITUTED. | Descriptor: | AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION | Authors: | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | Deposit date: | 2015-04-09 | Release date: | 2015-09-23 | Last modified: | 2022-03-16 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2. Structure, 23, 2015
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1Z8U
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![BU of 1z8u by Molmil](/molmil-images/mine/1z8u) | Crystal structure of oxidized alpha hemoglobin bound to AHSP | Descriptor: | Alpha-hemoglobin stabilizing protein, Hemoglobin alpha chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Feng, L, Zhou, S, Gu, L, Gell, D.A, Mackay, J.P, Weiss, M.J, Gow, A.J, Shi, Y. | Deposit date: | 2005-03-31 | Release date: | 2005-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of oxidized alpha-haemoglobin bound to AHSP reveals a protective mechanism for haem. Nature, 435, 2005
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2X39
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![BU of 2x39 by Molmil](/molmil-images/mine/2x39) | Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB | Descriptor: | 4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | Authors: | Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-01-22 | Release date: | 2010-02-23 | Last modified: | 2011-09-21 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt). J.Med.Chem., 53, 2010
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1G7Y
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![BU of 1g7y by Molmil](/molmil-images/mine/1g7y) | THE CRYSTAL STRUCTURE OF THE 58KD VEGETATIVE LECTIN FROM THE TROPICAL LEGUME DOLICHOS BIFLORUS | Descriptor: | CALCIUM ION, MANGANESE (II) ION, STEM/LEAF LECTIN DB58, ... | Authors: | Buts, L, Hamelryck, T.W, Loris, R, Dao-Thi, M.-H, Wyns, L, Etzler, M.E. | Deposit date: | 2000-11-15 | Release date: | 2000-11-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Weak protein-protein interactions in lectins: the crystal structure of a vegetative lectin from the legume Dolichos biflorus. J.Mol.Biol., 309, 2001
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6M2B
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![BU of 6m2b by Molmil](/molmil-images/mine/6m2b) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Li, H. | Deposit date: | 2020-02-27 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein Cell, 11, 2020
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2VXO
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![BU of 2vxo by Molmil](/molmil-images/mine/2vxo) | Human GMP synthetase in complex with XMP | Descriptor: | GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE | Authors: | Welin, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P. | Deposit date: | 2008-07-08 | Release date: | 2008-08-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Substrate Specificity and Oligomerization of Human Gmp Synthetase J.Mol.Biol., 425, 2013
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4WUY
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![BU of 4wuy by Molmil](/molmil-images/mine/4wuy) | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | Deposit date: | 2014-11-04 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem., 290, 2015
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7ADW
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![BU of 7adw by Molmil](/molmil-images/mine/7adw) | Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone. | Descriptor: | 2-methyl-1-(4-methylphenyl)propan-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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4BAD
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![BU of 4bad by Molmil](/molmil-images/mine/4bad) | Hen egg-white lysozyme structure in complex with the europium tris- hydroxymethyltriazoledipicolinate complex at 1.35 A resolution. | Descriptor: | 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | Deposit date: | 2012-09-13 | Release date: | 2012-11-14 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination. Chem.Commun.(Camb.), 48, 2012
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8GRM
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![BU of 8grm by Molmil](/molmil-images/mine/8grm) | Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome | Descriptor: | COMMD3 protein, DNA (144-MER), DNA (145-MER), ... | Authors: | Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L. | Deposit date: | 2022-09-02 | Release date: | 2023-04-12 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination. Chem, 2023
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6JFI
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![BU of 6jfi by Molmil](/molmil-images/mine/6jfi) | The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | Descriptor: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ... | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | Deposit date: | 2019-02-08 | Release date: | 2019-04-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody. Cell Rep, 26, 2019
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1ZLQ
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![BU of 1zlq by Molmil](/molmil-images/mine/1zlq) | Crystallographic and spectroscopic evidence for high affinity binding of Fe EDTA (H2O)- to the periplasmic nickel transporter NikA | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, CHLORIDE ION, ... | Authors: | Cherrier, M.V, Martin, L, Cavazza, C, Jacquamet, L, Lemaire, D, Gaillard, J, Fontecilla Camps, J.C. | Deposit date: | 2005-05-09 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic and Spectroscopic Evidence for High Affinity Binding of FeEDTA(H(2)O)(-) to the Periplasmic Nickel Transporter NikA J.Am.Chem.Soc., 127, 2005
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4X2Z
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![BU of 4x2z by Molmil](/molmil-images/mine/4x2z) | Structural view and substrate specificity of papain-like protease from Avian Infectious Bronchitis Virus | Descriptor: | Nonstructural protein 3, ZINC ION | Authors: | Kong, L, Shaw, N, Yan, L, Lou, Z, Rao, Z. | Deposit date: | 2014-11-27 | Release date: | 2015-01-28 | Last modified: | 2015-04-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural View and Substrate Specificity of Papain-like Protease from Avian Infectious Bronchitis Virus. J.Biol.Chem., 290, 2015
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5I04
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![BU of 5i04 by Molmil](/molmil-images/mine/5i04) | Crystal structure of the orphan region of human endoglin/CD105 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Endoglin, TRIETHYLENE GLYCOL, ... | Authors: | Saito, T, Bokhove, M, de Sanctis, D, Jovine, L. | Deposit date: | 2016-02-03 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1. Cell Rep, 19, 2017
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3ZJM
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![BU of 3zjm by Molmil](/molmil-images/mine/3zjm) | Ile(149)G11Phe mutation of M.acetivorans protoglobin in complex with cyanide | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYANIDE ION, GLYCEROL, ... | Authors: | Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M. | Deposit date: | 2013-01-18 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin. Plos One, 8, 2013
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3ZTQ
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![BU of 3ztq by Molmil](/molmil-images/mine/3ztq) | Hexagonal crystal form P61 of the Aquifex aeolicus nucleoside diphosphate kinase | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A. | Deposit date: | 2011-07-12 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus Proteins, 80, 2012
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