1PW5
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![BU of 1pw5 by Molmil](/molmil-images/mine/1pw5) | putative nagD protein | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, SULFATE ION, nagD protein, ... | Authors: | Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-06-30 | Release date: | 2004-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | putative nagD protein To be Published
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5J1W
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![BU of 5j1w by Molmil](/molmil-images/mine/5j1w) | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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3HKO
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![BU of 3hko by Molmil](/molmil-images/mine/3hko) | Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40 | Descriptor: | Calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands, GLYCEROL, MAGNESIUM ION, ... | Authors: | Wernimont, A.K, Hutchinson, A, Wasney, G, Vedadi, M, MacKenzie, F, Kozieradzki, I, Cossar, D, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Botchkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-25 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40 To be Published
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4MVT
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![BU of 4mvt by Molmil](/molmil-images/mine/4mvt) | Crystal structure of SUMO E3 Ligase PIAS3 | Descriptor: | CHLORIDE ION, E3 SUMO-protein ligase PIAS3, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-24 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of SUMO E3 Ligase PIAS3 to be published
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3HKV
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![BU of 3hkv by Molmil](/molmil-images/mine/3hkv) | Human poly(ADP-ribose) polymerase 10, catalytic fragment in complex with an inhibitor 3-aminobenzamide | Descriptor: | 3-aminobenzamide, PHOSPHATE ION, Poly [ADP-ribose] polymerase 10, ... | Authors: | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Kotzsch, A, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-26 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with an Inhibitor 3-Aminobenzamide To be Published
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1ZL0
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![BU of 1zl0 by Molmil](/molmil-images/mine/1zl0) | Structure of Protein of Unknown Function PA5198 from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Osipiuk, J, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-05-04 | Release date: | 2005-06-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | X-ray crystal structure of hypothetical protein PA5198 at 1.1 A resolution. To be Published
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1Z83
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![BU of 1z83 by Molmil](/molmil-images/mine/1z83) | Crystal structure of human AK1A in complex with AP5A | Descriptor: | Adenylate kinase 1, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, ... | Authors: | Filippakopoulos, P, Bunkoczi, G, Jansson, A, Schreurs, A, Knapp, S, Edwards, A, von Delft, F, Sundstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-03-29 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human AK1A in complex with AP5A To be Published
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6T9N
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![BU of 6t9n by Molmil](/molmil-images/mine/6t9n) | CryoEM structure of human polycystin-2/PKD2 in UDM supplemented with PI(4,5)P2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, Q, Pike, A.C.W, Grieben, M, Baronina, A, Nasrallah, C, Shintre, C, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-28 | Release date: | 2019-11-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2. Structure, 28, 2020
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6T1I
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![BU of 6t1i by Molmil](/molmil-images/mine/6t1i) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 1 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-ethanoylphenyl)-~{N}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide, Protein ENL | Authors: | Chaikuad, A, Heidenreich, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6T9O
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![BU of 6t9o by Molmil](/molmil-images/mine/6t9o) | CryoEM structure of human polycystin-2/PKD2 in UDM supplemented with PI(3,5)P2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, Q, Pike, A.C.W, Grieben, M, Baronina, A, Nasrallah, C, Shintre, C, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-28 | Release date: | 2019-11-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2. Structure, 28, 2020
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6S1I
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![BU of 6s1i by Molmil](/molmil-images/mine/6s1i) | Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. Acs Med.Chem.Lett., 11, 2020
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2HJR
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![BU of 2hjr by Molmil](/molmil-images/mine/2hjr) | Crystal Structure of Cryptosporidium parvum malate dehydrogenase | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CITRIC ACID, Malate dehydrogenase | Authors: | Wernimont, A.K, Dong, A, Lew, J, Hassani, A, Ren, H, Qiu, W, Kozieradzki, I, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-30 | Release date: | 2006-08-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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6I81
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![BU of 6i81 by Molmil](/molmil-images/mine/6i81) | Crystal Structure of the second bromodomain of BRD2 in complex with RT56 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2, ... | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-19 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of the second bromodomain of BRD2 in complex with RT56 To Be Published
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4MX2
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![BU of 4mx2 by Molmil](/molmil-images/mine/4mx2) | Crystal Structure of adenylosuccinate lyase from Leishmania donovani | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, GLYCEROL, ... | Authors: | Wernimont, A.K, Loppnau, P, Dong, A, Krojer, T, Bradley, A, Bushell, S, von Delft, F, Robinson, D, Gilbert, I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-25 | Release date: | 2014-04-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of adenylosuccinate lyase from Leishmania donovani To be Published
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4O2W
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![BU of 4o2w by Molmil](/molmil-images/mine/4o2w) | Crystal structure of the third RCC1-like domain of HERC1 | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase HERC1, MAGNESIUM ION, ... | Authors: | Dong, A, Hu, J, Li, Y, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-17 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the third RCC1-like domain of HERC1 To be Published
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3KVH
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![BU of 3kvh by Molmil](/molmil-images/mine/3kvh) | Crystal structure of human protein syndesmos (NUDT16-like protein) | Descriptor: | CHLORIDE ION, GLYCEROL, Protein syndesmos | Authors: | Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kotzsch, A, Kraulis, P, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Roos, A.K, Schuler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-30 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human protein syndesmos (NUDT16L1) To be Published
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2AWP
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![BU of 2awp by Molmil](/molmil-images/mine/2awp) | Crystal structure of Plasmodium knowlesi structure of Iron Super-Oxide Dismutase | Descriptor: | CHLORIDE ION, Iron Super-Oxide Dismutase, UNKNOWN ATOM OR ION | Authors: | Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-09-01 | Release date: | 2005-09-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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7B6O
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![BU of 7b6o by Molmil](/molmil-images/mine/7b6o) | Crystal structure of E.coli MurE mutant - C269S C340S C450S | Descriptor: | ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-08 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structure of MurE from E.coli To Be Published
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8EOM
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![BU of 8eom by Molmil](/molmil-images/mine/8eom) | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973 | Descriptor: | 4-(4-methylpiperazine-1-sulfonyl)benzamide, SULFATE ION, TP53-binding protein 1, ... | Authors: | The, J, Hong, Z, Headey, S, Gunzburg, M, Doak, B, James, L.I, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-03 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973 to be published
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4O38
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![BU of 4o38 by Molmil](/molmil-images/mine/4o38) | Crystal structure of the human cyclin G associated kinase (GAK) | Descriptor: | Cyclin-G-associated kinase, GLYCEROL, SUCCINIC ACID | Authors: | Zhang, R, Hatzos-Skintges, C, Weger, A, Chaikuad, A, Eswaran, J, Fedorov, O, King, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-18 | Release date: | 2014-01-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Crystal structure of the human cyclin G associated kinase (GAK) To be Published
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6SFK
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![BU of 6sfk by Molmil](/molmil-images/mine/6sfk) | Crystal structure of p38 alpha in complex with compound 81 (MCP42) | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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5UBA
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![BU of 5uba by Molmil](/molmil-images/mine/5uba) | Human RNA Pseudouridylate Synthase Domain Containing 4 | Descriptor: | CALCIUM ION, CHLORIDE ION, RNA pseudouridylate synthase domain-containing protein 4, ... | Authors: | DONG, A, ZENG, H, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-12-20 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | The Crystal Structure of Human Pseudouridylate Synthase Domain Containing 4. To be published to be published
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1Z7A
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![BU of 1z7a by Molmil](/molmil-images/mine/1z7a) | Crystal structure of probable Polysaccharide deacetylase from Pseudomonas aeruginosa PAO1 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Chang, C, Skarina, T, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-03-24 | Release date: | 2005-05-10 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal structure of probable Polysaccharide deacetylase from Pseudomonas aeruginosa PAO1 To be Published
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1ZPQ
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![BU of 1zpq by Molmil](/molmil-images/mine/1zpq) | STRUCTURE OF BACTERIOPHAGE LAMBDA CII protein | Descriptor: | Regulatory protein CII | Authors: | Jain, D, Kim, Y, Maxwell, K.L, Beasley, S, Gussin, G.N, Edwards, A.M, Joachimiak, A, Darst, S.A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-05-17 | Release date: | 2005-08-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Bacteriophage lambdacII and Its DNA Complex. Mol.Cell, 19, 2005
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1ZX5
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![BU of 1zx5 by Molmil](/molmil-images/mine/1zx5) | The structure of a putative mannosephosphate isomerase from Archaeoglobus fulgidus | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, GLYCEROL, ... | Authors: | Cuff, M.E, Skarina, T, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-06-06 | Release date: | 2005-07-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of a putative mannosephosphate isomerase from Archaeoglobus fulgidus To be Published
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