4C9L
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4CBB
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![BU of 4cbb by Molmil](/molmil-images/mine/4cbb) | APO FORM OF BETAINE ALDEHYDE DEHYDROGENASE FROM Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Gonzalez-Segura, L, Diaz-Sanchez, A.G, Munoz-Clares, R.A. | Deposit date: | 2013-10-11 | Release date: | 2014-10-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structural Bases of the Dual Coenzyme Specificity of Betaine Aldehyde Dehydrogenase from Pseudomonas Aeruginosa To be Published
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1NVD
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![BU of 1nvd by Molmil](/molmil-images/mine/1nvd) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and carbaphosphonate | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, ZINC ION, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-02-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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1WT7
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![BU of 1wt7 by Molmil](/molmil-images/mine/1wt7) | Solution structure of BuTX-MTX: a butantoxin-maurotoxin chimera | Descriptor: | BuTX-MTX | Authors: | M'Barek, S, Chagot, B, Andreotti, N, Visan, V, Mansuelle, P, Grissmer, S, Marrakchi, M, El Ayeb, M, Sampieri, F, Darbon, H, Fajloun, Z, De Waard, M, Sabatier, J.-M. | Deposit date: | 2004-11-16 | Release date: | 2004-11-30 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Increasing the molecular contacts between maurotoxin and Kv1.2 channel augments ligand affinity. Proteins, 60, 2005
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4BMM
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![BU of 4bmm by Molmil](/molmil-images/mine/4bmm) | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide | Descriptor: | 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M. | Deposit date: | 2013-05-09 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
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2BZD
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1WOG
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![BU of 1wog by Molmil](/molmil-images/mine/1wog) | Crystal Structure of Agmatinase Reveals Structural Conservation and Inhibition Mechanism of the Ureohydrolase Superfamily | Descriptor: | HEXANE-1,6-DIAMINE, MANGANESE (II) ION, agmatinase | Authors: | Ahn, H.J, Kim, K.H, Lee, J, Ha, J.-Y, Lee, H.H, Kim, D, Yoon, H.-J, Kwon, A.-R, Suh, S.W. | Deposit date: | 2004-08-18 | Release date: | 2004-09-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily J.Biol.Chem., 279, 2004
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4DDC
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![BU of 4ddc by Molmil](/molmil-images/mine/4ddc) | EVAL processed HEWL, cisplatin DMSO NAG silicone oil | Descriptor: | Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | Deposit date: | 2012-01-18 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
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4DJH
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![BU of 4djh by Molmil](/molmil-images/mine/4djh) | Structure of the human kappa opioid receptor in complex with JDTic | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CITRIC ACID, ... | Authors: | Wu, H, Wacker, D, Katritch, V, Mileni, M, Han, G.W, Vardy, E, Liu, W, Thompson, A.A, Huang, X.P, Carroll, F.I, Mascarella, S.W, Westkaemper, R.B, Mosier, P.D, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2012-02-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | tructure of the human kappa-opioid receptor in complex with JDTic Nature, 485, 2012
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2BHL
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![BU of 2bhl by Molmil](/molmil-images/mine/2bhl) | X-RAY STRUCTURE OF HUMAN GLUCOSE-6-PHOSPHATE DEHYDROGENASE (DELETION VARIANT) COMPLEXED WITH GLUCOSE-6-PHOSPHATE | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE 1-DEHYDROGENASE, GLYCEROL | Authors: | Kotaka, M, Gover, S, Lam, V.M.S, Adams, M.J. | Deposit date: | 2005-01-13 | Release date: | 2005-04-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Studies of Glucose-6-Phosphate and Nadp+ Binding to Human Glucose-6-Phosphate Dehydrogenase Acta Crystallogr.,Sect.D, 61, 2005
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3VIG
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![BU of 3vig by Molmil](/molmil-images/mine/3vig) | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with 1-deoxynojirimycin | Descriptor: | 1-DEOXYNOJIRIMYCIN, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-glucosidase, ... | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | Deposit date: | 2011-10-03 | Release date: | 2012-07-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates Acta Crystallogr.,Sect.D, 68, 2012
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2BFC
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![BU of 2bfc by Molmil](/molmil-images/mine/2bfc) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-12-06 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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4G0A
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3VZ1
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5ORK
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![BU of 5ork by Molmil](/molmil-images/mine/5ork) | The crystal structure of CK2alpha in complex with compound 6 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-16 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OS9
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2C3M
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![BU of 2c3m by Molmil](/molmil-images/mine/2c3m) | Crystal Structure Of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio africanus | Descriptor: | CALCIUM ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Cavazza, C, Contreras-Martel, C, Pieulle, L, Chabriere, E, Hatchikian, E.C, Fontecilla-Camps, J.C. | Deposit date: | 2005-10-11 | Release date: | 2006-02-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Flexibility of Thiamine Diphosphate Revealed by Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate. Structure, 14, 2006
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1WU4
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![BU of 1wu4 by Molmil](/molmil-images/mine/1wu4) | Crystal structure of reducing-end-xylose releasing exo-oligoxylanase | Descriptor: | GLYCEROL, NICKEL (II) ION, xylanase Y | Authors: | Fushinobu, S, Hidaka, M, Honda, Y, Wakagi, T, Shoun, H, Kitaoka, M. | Deposit date: | 2004-12-01 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural Basis for the Specificity of the Reducing End Xylose-releasing Exo-oligoxylanase from Bacillus halodurans C-125 J.Biol.Chem., 280, 2005
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3VNZ
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![BU of 3vnz by Molmil](/molmil-images/mine/3vnz) | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with D-glucuronic acid | Descriptor: | GLYCEROL, PHOSPHATE ION, beta-D-glucopyranuronic acid, ... | Authors: | Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Kaneko, S. | Deposit date: | 2012-01-18 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum J.Biol.Chem., 287, 2012
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5OSL
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![BU of 5osl by Molmil](/molmil-images/mine/5osl) | The crystal structure of CK2alpha in complex with compound 7 | Descriptor: | 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-17 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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1O4Z
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![BU of 1o4z by Molmil](/molmil-images/mine/1o4z) | THE THREE-DIMENSIONAL STRUCTURE OF BETA-AGARASE B FROM ZOBELLIA GALACTANIVORANS | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, SODIUM ION, ... | Authors: | Allouch, J, Jam, M, Helbert, W, Barbeyron, T, Kloareg, B, Henrissat, B, Czjzek, M. | Deposit date: | 2003-07-29 | Release date: | 2003-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Three-dimensional Structures of Two {beta}-Agarases. J.Biol.Chem., 278, 2003
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3VOF
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![BU of 3vof by Molmil](/molmil-images/mine/3vof) | Cellobiohydrolase mutant, CcCel6C D102A, in the closed form | Descriptor: | Cellobiohydrolase, beta-D-glucopyranose | Authors: | Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T. | Deposit date: | 2012-01-23 | Release date: | 2012-03-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C Febs J., 279, 2012
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5OSR
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![BU of 5osr by Molmil](/molmil-images/mine/5osr) | The crystal structure of CK2alpha in complex with an analogue of compound 1 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-18 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OSU
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![BU of 5osu by Molmil](/molmil-images/mine/5osu) | The crystal structure of CK2alpha in complex with analogues of compound 1 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-18 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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1OA9
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