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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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: | 2024-11-20 | | 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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1EO5
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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: | 2024-11-06 | | 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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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: | 2024-10-30 | | 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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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: | 2024-10-16 | | 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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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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1FP9
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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: | 2024-11-13 | | 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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1CXL
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3KW9
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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: | 2024-11-06 | | 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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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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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
 | | 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: | 2024-10-09 | | 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
 | | 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
 | | 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
 | | 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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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: | 2024-10-30 | | 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
 | | 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: | 2024-10-30 | | 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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3OVX
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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: | 2024-10-16 | | 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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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: | 2024-11-20 | | 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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3IPS
 | | X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha | | Descriptor: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ... | | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | | Deposit date: | 2009-08-18 | | Release date: | 2010-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
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3IPU
 | | X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha | | Descriptor: | 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | | Deposit date: | 2009-08-18 | | Release date: | 2010-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
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