7MC5
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![BU of 7mc5 by Molmil](/molmil-images/mine/7mc5) | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ... | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | Deposit date: | 2021-04-01 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
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4UMT
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![BU of 4umt by Molmil](/molmil-images/mine/4umt) | Structure of MELK in complex with inhibitors | Descriptor: | 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | Deposit date: | 2014-05-21 | Release date: | 2014-10-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. Acs Med.Chem.Lett., 6, 2015
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4UMU
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![BU of 4umu by Molmil](/molmil-images/mine/4umu) | Structure of MELK in complex with inhibitors | Descriptor: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | Deposit date: | 2014-05-21 | Release date: | 2014-10-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. Acs Med.Chem.Lett., 6, 2015
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5DAT
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![BU of 5dat by Molmil](/molmil-images/mine/5dat) | Complex of yeast 80S ribosome with hypusine-containing eIF5A | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M. | Deposit date: | 2015-08-20 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome To Be Published
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5DHS
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![BU of 5dhs by Molmil](/molmil-images/mine/5dhs) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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5DHU
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![BU of 5dhu by Molmil](/molmil-images/mine/5dhu) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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5DHQ
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![BU of 5dhq by Molmil](/molmil-images/mine/5dhq) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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5DHR
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![BU of 5dhr by Molmil](/molmil-images/mine/5dhr) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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5DIL
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![BU of 5dil by Molmil](/molmil-images/mine/5dil) | Crystal structure of the effector domain of the NS1 protein from influenza virus B | Descriptor: | IODIDE ION, Non-structural protein 1 | Authors: | Guan, R, Hamilton, K, Ma, L, Montelione, G.T. | Deposit date: | 2015-09-01 | Release date: | 2016-08-10 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A Second RNA-Binding Site in the NS1 Protein of Influenza B Virus. Structure, 24, 2016
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5DHP
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![BU of 5dhp by Molmil](/molmil-images/mine/5dhp) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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3UEQ
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![BU of 3ueq by Molmil](/molmil-images/mine/3ueq) | Crystal structure of amylosucrase from Neisseria polysaccharea in complex with turanose | Descriptor: | 3-O-alpha-D-glucopyranosyl-D-fructose, Amylosucrase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Guerin, F, Pizzut-Serin, S, Potocki-Veronese, G, Guillet, V, Mourey, L, Remaud-Simeon, M, Andre, I, Tranier, S. | Deposit date: | 2011-10-31 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Investigation of the Thermostability and Product Specificity of Amylosucrase from the Bacterium Deinococcus geothermalis. J.Biol.Chem., 287, 2012
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3UI7
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![BU of 3ui7 by Molmil](/molmil-images/mine/3ui7) | Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia | Descriptor: | 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Yang, S, Smotryski, J, Mcelroy, W, Ho, G, Tulshian, D, Greenlee, W.J, Hodgson, R, Xiao, L, Hruza, A. | Deposit date: | 2011-11-04 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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3UER
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![BU of 3uer by Molmil](/molmil-images/mine/3uer) | Crystal structure of amylosucrase from Deinococcus geothermalis in complex with turanose | Descriptor: | Amylosucrase, alpha-D-glucopyranose-(1-3)-alpha-D-fructofuranose, alpha-D-glucopyranose-(1-3)-beta-D-fructofuranose | Authors: | Guerin, F, Pizzut-Serin, S, Potocki-Veronese, G, Guillet, V, Mourey, L, Remaud-Simeon, M, Andre, I, Tranier, S. | Deposit date: | 2011-10-31 | Release date: | 2012-01-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Investigation of the Thermostability and Product Specificity of Amylosucrase from the Bacterium Deinococcus geothermalis. J.Biol.Chem., 287, 2012
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3UI4
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![BU of 3ui4 by Molmil](/molmil-images/mine/3ui4) | 0.8 A resolution crystal structure of human Parvulin 14 | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases. J.Am.Chem.Soc., 133, 2011
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3UCQ
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![BU of 3ucq by Molmil](/molmil-images/mine/3ucq) | Crystal structure of amylosucrase from Deinococcus geothermalis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL | Authors: | Guerin, F, Pizzut-Serin, S, Guillet, V, Mourey, L, Potocki-Veronese, G, Remaud-Simeon, M, Andre, I, Tranier, S. | Deposit date: | 2011-10-27 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Investigation of the Thermostability and Product Specificity of Amylosucrase from the Bacterium Deinococcus geothermalis. J.Biol.Chem., 287, 2012
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3UGW
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![BU of 3ugw by Molmil](/molmil-images/mine/3ugw) | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Deoxycytidine at 1.87 A Resolution | Descriptor: | 2'-DEOXYCYTIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-11-03 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Deoxycytidine at 1.87 A Resolution To be Published
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3UI5
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![BU of 3ui5 by Molmil](/molmil-images/mine/3ui5) | Crystal structure of human Parvulin 14 | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases. J.Am.Chem.Soc., 133, 2011
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3UK4
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![BU of 3uk4 by Molmil](/molmil-images/mine/3uk4) | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1,2,5-Pentanetriol at 1.98 A Resolution | Descriptor: | (2S)-pentane-1,2,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-11-09 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1,2,5-Pentanetriol at 1.98 A Resolution To be Published
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3UUB
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![BU of 3uub by Molmil](/molmil-images/mine/3uub) | The GLIC pentameric Ligand-Gated Ion Channel Loop2-21' mutant reduced in solution | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-11-28 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
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3UI6
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![BU of 3ui6 by Molmil](/molmil-images/mine/3ui6) | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2012-11-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT To be Published
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3UUW
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![BU of 3uuw by Molmil](/molmil-images/mine/3uuw) | 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile. | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Minasov, G, Wawrzak, Z, Kudritska, M, Grimshaw, S, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-28 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile. TO BE PUBLISHED
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3UQP
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![BU of 3uqp by Molmil](/molmil-images/mine/3uqp) | Crystal structure of Bace1 with its inhibitor | Descriptor: | Beta-secretase 1, METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE, SULFATE ION | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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3URY
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![BU of 3ury by Molmil](/molmil-images/mine/3ury) | Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus subsp. aureus NCTC 8325 | Descriptor: | CHLORIDE ION, Exotoxin | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Halavaty, A, Winsor, J, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus subsp. aureus NCTC 8325 To be Published
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6KIF
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![BU of 6kif by Molmil](/molmil-images/mine/6kif) | Structure of cyanobacterial photosystem I-IsiA-flavodoxin supercomplex | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Cao, P, Cao, D.F, Si, L, Su, X.D, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | Deposit date: | 2019-07-18 | Release date: | 2020-02-12 | Last modified: | 2020-03-04 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for energy and electron transfer of the photosystem I-IsiA-flavodoxin supercomplex. Nat.Plants, 6, 2020
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3UN6
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![BU of 3un6 by Molmil](/molmil-images/mine/3un6) | 2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound | Descriptor: | ABC transporter substrate-binding protein, PHOSPHATE ION, ZINC ION | Authors: | Minasov, G, Wawrzak, Z, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kiryukhina, O, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-15 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | 2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound. TO BE PUBLISHED
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