6Y93
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![BU of 6y93 by Molmil](/molmil-images/mine/6y93) | Crystal structure of the DNA-binding domain of the Nucleoid Occlusion Factor (Noc) complexed to the Noc-binding site (NBS) | Descriptor: | Noc Binding Site (NBS), Nucleoid occlusion protein | Authors: | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Chan, E, Lo, R, Tan, X, Noy, A, Lawson, D.M, Le, T.B.K. | Deposit date: | 2020-03-06 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family. Cell Rep, 32, 2020
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3V04
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![BU of 3v04 by Molmil](/molmil-images/mine/3v04) | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | Descriptor: | 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | Deposit date: | 2011-12-07 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
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3V01
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![BU of 3v01 by Molmil](/molmil-images/mine/3v01) | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | Deposit date: | 2011-12-07 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
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9EZG
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![BU of 9ezg by Molmil](/molmil-images/mine/9ezg) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-12 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 2024
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8P06
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![BU of 8p06 by Molmil](/molmil-images/mine/8p06) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Descriptor: | 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-09 | Release date: | 2023-06-21 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 2024
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8P07
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![BU of 8p07 by Molmil](/molmil-images/mine/8p07) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | Authors: | Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-09 | Release date: | 2023-05-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 2024
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2ZED
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![BU of 2zed by Molmil](/molmil-images/mine/2zed) | Crystal structure of the human glutaminyl cyclase mutant S160A at 1.7 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-12 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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2ZEH
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![BU of 2zeh by Molmil](/molmil-images/mine/2zeh) | Crystal structure of the human glutaminyl cyclase mutant E201Q at 1.8 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-12 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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2ZEP
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![BU of 2zep by Molmil](/molmil-images/mine/2zep) | Crystal structure of the human glutaminyl cyclase mutant H319L at 2.1 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-13 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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2ZEM
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![BU of 2zem by Molmil](/molmil-images/mine/2zem) | Crystal structure of the human glutaminyl cyclase mutant D248Q at 2.18 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-13 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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2ZEO
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![BU of 2zeo by Molmil](/molmil-images/mine/2zeo) | Crystal structure of the human glutaminyl cyclase mutant D305E at 1.66 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-13 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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2ZEF
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![BU of 2zef by Molmil](/molmil-images/mine/2zef) | Crystal structure of the human glutaminyl cyclase mutant E201D at 1.67 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-12 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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2ZEL
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![BU of 2zel by Molmil](/molmil-images/mine/2zel) | Crystal structure of the human glutaminyl cyclase mutant D248A at 1.97 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-13 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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2ZEG
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![BU of 2zeg by Molmil](/molmil-images/mine/2zeg) | Crystal structure of the human glutaminyl cyclase mutant E201L at 2.08 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, IMIDAZOLE, SULFATE ION, ... | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-12 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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2ZEE
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![BU of 2zee by Molmil](/molmil-images/mine/2zee) | Crystal structure of the human glutaminyl cyclase mutant S160G at 1.99 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-12 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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2ZEN
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![BU of 2zen by Molmil](/molmil-images/mine/2zen) | Crystal structure of the human glutaminyl cyclase mutant D305A at 1.78 angstrom resolution | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Wang, Y.R, Chang, E.C, Chou, T.L, Wang, A.H. | Deposit date: | 2007-12-13 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A conserved hydrogen-bond network in the catalytic centre of animal glutaminyl cyclases is critical for catalysis. Biochem.J., 411, 2008
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5AGD
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![BU of 5agd by Molmil](/molmil-images/mine/5agd) | An inactive (D125N) variant of the catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with alpha-1,6-mannopentaose | Descriptor: | ALPHA-1,6-MANNANASE, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose | Authors: | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Chandler, E, Temple, M.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | Deposit date: | 2015-01-29 | Release date: | 2015-03-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism Angew.Chem.Int.Ed.Engl., 54, 2015
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