2BZS
 
 | | Binding of anti-cancer prodrug CB1954 to the activating enzyme NQO2 revealed by the crystal structure of their complex. | | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH DEHYDROGENASE [QUINONE] 2, ... | | Authors: | Abu Khader, M.M, Heap, J.T, De Matteis, C, Kellam, B, Doughty, S.W, Minton, N, Paoli, M. | | Deposit date: | 2005-08-22 | | Release date: | 2005-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding of the Anticancer Prodrug Cb1954 to the Activating Enzyme Nqo2 Revealed by the Crystal Structure of Their Complex.
J.Med.Chem., 48, 2005
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3WU8
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4I7O
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4DZH
 | | Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn | | Descriptor: | AMIDOHYDROLASE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Raushel, F.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-03-01 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.552 Å) | | Cite: | Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn
to be published
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3WUM
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2BKC
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3WUX
 | | Crystal structure of unsaturated glucuronyl hydrolase mutant D115N/K370S from Streptococcus agalactiae | | Descriptor: | 1,2-ETHANEDIOL, Unsaturated chondroitin disaccharide hydrolase | | Authors: | Nakamichi, Y, Oiki, S, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2014-05-08 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Crystal structure of unsaturated glucuronyl hydrolase mutant D115N/K370S from Streptococcus agalactiae
to be published
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2XLC
 | | Acetyl xylan esterase from Bacillus pumilus CECT5072 bound to paraoxon | | Descriptor: | ACETYL XYLAN ESTERASE, DIETHYL PHOSPHONATE | | Authors: | Gil-Ortiz, F, Montoro-Garcia, S, Polo, L.M, Rubio, V, Sanchez-Ferrer, A. | | Deposit date: | 2010-07-20 | | Release date: | 2011-05-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Crystal Structure of the Cephalosporin Deacetylating Enzyme Acetyl Xylan Esterase Bound to Paraoxon Explains the Low Sensitivity of This Serine Hydrolase to Organophosphate Inactivation.
Biochem.J., 436, 2011
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5OS8
 | | The crystal structure of CK2alpha in complex with compound 11 | | 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: | 2017-08-17 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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1YOA
 | | Crystal structure of a probable flavoprotein from Thermus thermophilus HB8 | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, putative flavoprotein | | Authors: | Imagawa, T, Tsuge, H, Sugimoto, Y, Utsunomiya, H, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-01-27 | | Release date: | 2005-07-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a flavoenzyme TTHA0420 from Thermus thermophilus HB8
To be published
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4E12
 | | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | | Descriptor: | Diketoreductase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | | Deposit date: | 2012-03-05 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
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3WWN
 | | Crystal structure of LysZ from Thermus thermophilus complex with LysW | | Descriptor: | OrfF, Putative acetylglutamate kinase-like protein, SULFATE ION, ... | | Authors: | Yoshida, A, Tomita, T, Kuzuyama, T, Nishiyama, M. | | Deposit date: | 2014-06-21 | | Release date: | 2014-11-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural insight into amino group-carrier protein-mediated lysine biosynthesis: crystal structure of the LysZ·LysW complex from Thermus thermophilus.
J.Biol.Chem., 290, 2015
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4I9H
 | | Crystal structure of rabbit LDHA in complex with AP28669 | | Descriptor: | 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain | | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2012-12-05 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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3WH9
 | | The ligand-free structure of ManBK from Aspergillus niger BK01 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Huang, J.W, Chen, C.C, Huang, C.H, Huang, T.Y, Wu, T.H, Cheng, Y.S, Ko, T.P, Lin, C.Y, Liu, J.R, Guo, R.T. | | Deposit date: | 2013-08-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural Analysis and Rational Design to Improve Specific Activity of beta-Mannanase from Aspergillus Niger BK01
To be Published
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3WX0
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5OSK
 | | Tubulin-7j complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one, CALCIUM ION, ... | | Authors: | Menchon, G, Prota, A.E, Steinmetz, M.O, Potter, B.V.L. | | Deposit date: | 2017-08-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Quinazolinone-Based Anticancer Agents: Synthesis, Antiproliferative SAR, Antitubulin Activity, and Tubulin Co-crystal Structure.
J. Med. Chem., 61, 2018
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2XM1
 | | BtGH84 in complex with N-acetyl gluconolactam | | Descriptor: | GLYCEROL, N-ACETYL GLUCONOLACTAM, O-GLCNACASE BT_4395 | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2010-07-22 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of a Bacterial O-Glcnacase Homologue by Lactone and Lactam Derivatives: Structural, Kinetic and Thermodynamic Analyses.
Amino Acids, 40, 2011
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1OA1
 | | REDUCED HYBRID CLUSTER PROTEIN (HCP) FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH STRUCTURE AT 1.55A RESOLUTION USING SYNCHROTRON RADIATION. | | Descriptor: | FE4-S3 CLUSTER, GLYCEROL, HYDROXYLAMINE REDUCTASE, ... | | Authors: | Aragao, D, Macedo, S, Mitchell, E.P, Romao, C.V, Liu, M.Y, Frazao, C, Saraiva, L.M, Xavier, A.V, Legall, J, Van Dongen, W.M.A.M, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P.F. | | Deposit date: | 2002-12-23 | | Release date: | 2003-04-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Reduced Hybrid Cluster Proteins (Hcp) from Desulfovibrio Desulfuricans Atcc 27774 and Desulfovibrio Vulgaris (Hildenborough): X-Ray Structures at High Resolution Using Synchrotron Radiation
J.Biol.Inorg.Chem., 8, 2003
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1OA0
 | | REDUCED HYBRID CLUSTER PROTEIN FROM DESULFOVIBRIO DESULFURICANS X-RAY STRUCTURE AT 1.25A RESOLUTION | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE4-S3 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Macedo, S, Aragao, D, Mitchell, E.P, Romao, C.V, Liu, M.Y, Frazao, C, Saraiva, L.M, Xavier, A.V, Legall, J, Van Dongen, W.M.A.M, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P.F. | | Deposit date: | 2002-12-23 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Reduced hybrid cluster proteins (HCP) from Desulfovibrio desulfuricans ATCC 27774 and Desulfovibrio vulgaris (Hildenborough): X-ray structures at high resolution using synchrotron radiation.
J. Biol. Inorg. Chem., 8, 2003
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2BUM
 | | Crystal Structure Of Wild-Type Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 | | Descriptor: | FE (III) ION, HYDROXIDE ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ... | | Authors: | Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H. | | Deposit date: | 2005-06-14 | | Release date: | 2006-09-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biophysical Analyses of Designed and Selected Mutants of Protocatechuate 3,4-Dioxygenase
Annu.Rev.Microbiol., 58, 2004
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5OTI
 | | The crystal structure of CK2alpha in complex with compound 27 | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-22 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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3W7P
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-4-031 | | Descriptor: | 5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-03-02 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-4-031
To be Published
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3W88
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-200 | | Descriptor: | 1,2-ETHANEDIOL, 5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ... | | Authors: | Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-03-12 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-200
To be Published
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5OTS
 | | The crystal structure of CK2alpha in complex with an analogue of compound 22 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium, 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: | 2017-08-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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4I26
 | | 2.20 Angstroms X-ray crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens | | Descriptor: | 1,2-ETHANEDIOL, 2-aminomuconate 6-semialdehyde dehydrogenase, SODIUM ION | | Authors: | Davis, I, Huo, L, Chen, L, Liu, A. | | Deposit date: | 2012-11-21 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
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