1EO5
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1FP9
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1FP8
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![BU of 1fp8 by Molmil](/molmil-images/mine/1fp8) | STRUCTURE OF THE AMYLOMALTASE FROM THERMUS THERMOPHILUS HB8 IN SPACE GROUP P21212 | Descriptor: | 4-ALPHA-GLUCANOTRANSFERASE, CHLORIDE ION, MERCURY (II) ION | Authors: | Uitdehaag, J.C.M, Euverink, G.J, van der Veen, B.A, van der Maarel, M, Dijkstra, B.W. | Deposit date: | 2000-08-31 | Release date: | 2003-09-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of the amylomaltase from Thermus thermophilus HB8 To be Published
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1EO7
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![BU of 1eo7 by Molmil](/molmil-images/mine/1eo7) | BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE IN COMPLEX WITH MALTOHEXAOSE | Descriptor: | CALCIUM ION, PROTEIN (CYCLODEXTRIN GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Uitdehaag, J.C.M, Dijkstra, B.W. | Deposit date: | 2000-03-22 | Release date: | 2000-11-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structures of maltohexaose and maltoheptaose bound at the donor sites of cyclodextrin glycosyltransferase give insight into the mechanisms of transglycosylation activity and cyclodextrin size specificity. Biochemistry, 39, 2000
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1CXL
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1CXK
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![BU of 1cxk by Molmil](/molmil-images/mine/1cxk) | COMPLEX BETWEEN A MALTONONAOSE SUBSTRATE AND BACILLUS CIRCULANS STRAIN 251 CGTASE E257Q/D229N | Descriptor: | CALCIUM ION, PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Uitdehaag, J.C.M, Kalk, K.H, Dijkstra, B.W. | Deposit date: | 1999-02-24 | Release date: | 1999-05-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | X-ray structures along the reaction pathway of cyclodextrin glycosyltransferase elucidate catalysis in the alpha-amylase family. Nat.Struct.Biol., 6, 1999
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1D3C
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![BU of 1d3c by Molmil](/molmil-images/mine/1d3c) | MICHAELIS COMPLEX OF BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE WITH GAMMA-CYCLODEXTRIN | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | Authors: | Uitdehaag, J.C.M, Kalk, K.H, van der Veen, B.A, Dijkhuizen, L, Dijkstra, B.W. | Deposit date: | 1999-09-29 | Release date: | 1999-12-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The cyclization mechanism of cyclodextrin glycosyltransferase (CGTase) as revealed by a gamma-cyclodextrin-CGTase complex at 1.8-A resolution. J.Biol.Chem., 274, 1999
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1DTU
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![BU of 1dtu by Molmil](/molmil-images/mine/1dtu) | BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE: A MUTANT Y89D/S146P COMPLEXED TO AN HEXASACCHARIDE INHIBITOR | Descriptor: | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE, CALCIUM ION, PROTEIN (CYCLODEXTRIN GLYCOSYLTRANSFERASE), ... | Authors: | Uitdehaag, J.C.M, Kalk, K.H, Dijkstra, B.W. | Deposit date: | 2000-01-13 | Release date: | 2000-03-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational design of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 to increase alpha-cyclodextrin production. J.Mol.Biol., 296, 2000
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1A47
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![BU of 1a47 by Molmil](/molmil-images/mine/1a47) | CGTASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES EM1 IN COMPLEX WITH A MALTOHEXAOSE INHIBITOR | Descriptor: | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | Authors: | Uitdehaag, J.C.M, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 1998-02-11 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Engineering of cyclodextrin product specificity and pH optima of the thermostable cyclodextrin glycosyltransferase from Thermoanaerobacterium thermosulfurigenes EM1. J.Biol.Chem., 273, 1998
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5NAD
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![BU of 5nad by Molmil](/molmil-images/mine/5nad) | TTK kinase domain in complex with BAY 1217389 | Descriptor: | BAY 1217389, Dual specificity protein kinase TTK | Authors: | Uitdehaag, J.C.M, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-27 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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3KWB
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![BU of 3kwb by Molmil](/molmil-images/mine/3kwb) | Structure of CatK covalently bound to a dioxo-triazine inhibitor | Descriptor: | 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, Cathepsin K | Authors: | Uitdehaag, J.C.M, van Zeeland, M. | Deposit date: | 2009-12-01 | Release date: | 2010-04-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Dioxo-triazines as a novel series of cathepsin K inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3KW9
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2W8Y
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![BU of 2w8y by Molmil](/molmil-images/mine/2w8y) | RU486 bound to the progesterone receptor in a destabilized agonistic conformation | Descriptor: | (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ... | Authors: | Raaijmakers, H.C.A, Versteeg, J, Uitdehaag, J.C.M. | Deposit date: | 2009-01-20 | Release date: | 2009-04-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The X-Ray Structure of Ru486 Bound to the Progesterone Receptor in a Destabilized Agonistic Conformation. J.Biol.Chem., 284, 2009
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1KCK
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![BU of 1kck by Molmil](/molmil-images/mine/1kck) | Bacillus circulans strain 251 Cyclodextrin glycosyl transferase mutant N193G | Descriptor: | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | Authors: | Rozeboom, H.J, Uitdehaag, J.C.M, Dijkstra, B.W. | Deposit date: | 2001-11-09 | Release date: | 2002-01-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | The remote substrate binding subsite -6 in cyclodextrin-glycosyltransferase controls the transferase activity of the enzyme via an induced-fit mechanism. J.Biol.Chem., 277, 2002
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1KCL
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![BU of 1kcl by Molmil](/molmil-images/mine/1kcl) | Bacillus ciruclans strain 251 Cyclodextrin glycosyl transferase mutant G179L | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cyclodextrin glycosyltransferase, ... | Authors: | Rozeboom, H.J, Uitdehaag, J.C.M, Dijkstra, B.W. | Deposit date: | 2001-11-09 | Release date: | 2002-01-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The remote substrate binding subsite -6 in cyclodextrin-glycosyltransferase controls the transferase activity of the enzyme via an induced-fit mechanism. J.Biol.Chem., 277, 2002
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1NT0
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![BU of 1nt0 by Molmil](/molmil-images/mine/1nt0) | Crystal structure of the CUB1-EGF-CUB2 region of MASP2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Feinberg, H, Uitdehaag, J.C.M, Davies, J.M, Wallis, R, Drickamer, K, Weis, W.I. | Deposit date: | 2003-01-28 | Release date: | 2003-05-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the CUB1-EGF-CUB2 region of mannose-binding protein associated serine protease-2 Embo J., 22, 2003
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2DIJ
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![BU of 2dij by Molmil](/molmil-images/mine/2dij) | COMPLEX OF A Y195F MUTANT CGTASE FROM B. CIRCULANS STRAIN 251 COMPLEXED WITH A MALTONONAOSE INHIBITOR AT PH 9.8 OBTAINED AFTER SOAKING THE CRYSTAL WITH ACARBOSE AND MALTOHEXAOSE | Descriptor: | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | Authors: | Strokopytov, B.V, Knegtel, R.M.A, Uitdehaag, J.C.M, Dijkstra, B.W. | Deposit date: | 1998-05-27 | Release date: | 1998-12-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of cyclodextrin glycosyltransferase complexed with a maltononaose inhibitor at 2.6 angstrom resolution. Implications for product specificity. Biochemistry, 35, 1996
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6Q9P
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![BU of 6q9p by Molmil](/molmil-images/mine/6q9p) | Crystal structure of human Arginase-1 at pH 9.0 in complex with ABH | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION, ... | Authors: | Grobben, Y, Uitdehaag, J.C.M, Zaman, G.J.R. | Deposit date: | 2018-12-18 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158. J Struct Biol X, 4, 2020
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6QAF
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![BU of 6qaf by Molmil](/molmil-images/mine/6qaf) | Crystal structure of human Arginase-1 at pH 9.0 in complex with CB-1158/INCB001158 | Descriptor: | Arginase-1, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Grobben, Y, Uitdehaag, J.C.M, Tabak, W.W.A, Zaman, G.J.R. | Deposit date: | 2018-12-19 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158. J Struct Biol X, 4, 2020
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6Q92
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![BU of 6q92 by Molmil](/molmil-images/mine/6q92) | Crystal structure of human Arginase-1 at pH 7.0 in complex with ABH | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION, ... | Authors: | Grobben, Y, Uitdehaag, J.C.M, Zaman, G.J.R. | Deposit date: | 2018-12-17 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158. J Struct Biol X, 4, 2020
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2CXG
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![BU of 2cxg by Molmil](/molmil-images/mine/2cxg) | CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED TO THE INHIBITOR ACARBOSE | Descriptor: | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | Authors: | Strokopytov, B.V, Uitdehaag, J.C.M, Ruiterkamp, R, Dijkstra, B.W. | Deposit date: | 1998-05-08 | Release date: | 1998-10-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structure of cyclodextrin glycosyltransferase complexed with acarbose. Implications for the catalytic mechanism of glycosidases. Biochemistry, 34, 1995
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3O1G
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3O0U
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3OVX
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3OVZ
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![BU of 3ovz by Molmil](/molmil-images/mine/3ovz) | Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead | Descriptor: | Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION | Authors: | Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. | Deposit date: | 2010-09-17 | Release date: | 2010-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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