4Z5C
 
 | | HipB-O3 21mer complex | | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*CP*GP*TP*AP*GP*AP*GP*CP*GP*GP*AP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*TP*AP*CP*GP*GP*GP*AP*TP*A)-3') | | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | | Deposit date: | 2015-04-02 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism on hipBA gene regulation.
To be published
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2V2C
 | | The A178L mutation in the C-terminal hinge of the flexible loop-6 of triosephosphate isomerase (TIM) induces a more closed conformation of this hinge region in dimeric and monomeric TIM | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL | | Authors: | Alahuhta, M, Casteleijn, M.G, Neubauer, P, Wierenga, R.K. | | Deposit date: | 2007-06-05 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural Studies Show that the A178L Mutation in the C-Terminal Hinge of the Catalytic Loop-6 of Triosephosphate Isomerase (Tim) Induces a Closed-Like Conformation in Dimeric and Monomeric Tim.
Acta Crystallogr.,Sect.D, 64, 2008
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2V2D
 | | The A178L mutation in the C-terminal hinge of the flexible loop-6 of triosephosphate isomerase (TIM) induces a more closed conformation of this hinge region in dimeric and monomeric TIM | | Descriptor: | PHOSPHATE ION, TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL | | Authors: | Alahuhta, M, Casteleijn, M.G, Neubauer, P, Wierenga, R.K. | | Deposit date: | 2007-06-05 | | Release date: | 2008-02-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Studies Show that the A178L Mutation in the C-Terminal Hinge of the Catalytic Loop-6 of Triosephosphate Isomerase (Tim) Induces a Closed- Like Conformation in Dimeric and Monomeric Tim.
Acta Crystallogr.,Sect.D, 64, 2008
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2VEI
 | | Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties | | Descriptor: | GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE, SULFATE ION | | Authors: | Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K. | | Deposit date: | 2007-10-24 | | Release date: | 2008-02-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
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4Z59
 | | HipB-O4 20mer complex | | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3') | | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | | Deposit date: | 2015-04-02 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular mechanism on hipBA gene regulation.
To be published
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2VEL
 | | Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties. | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, CHLORIDE ION, GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE | | Authors: | Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K. | | Deposit date: | 2007-10-24 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
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2V5F
 | | Crystal structure of wild type peptide-binding domain of human type I collagen prolyl 4-hydroxylase. | | Descriptor: | HEXA-HISTIDINE PEPTIDE, PROLYL 4-HYDROXYLASE SUBUNIT ALPHA-1 | | Authors: | Pekkala, M, Hieta, R, Kivirikko, K, Myllyharju, J, Wierenga, R. | | Deposit date: | 2008-10-06 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal Structure of Wild Type Peptide-Binding Domain of Human Type I Collagen Prolyl 4- Hydroxylase.
To be Published
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3GZE
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4Z5D
 | | HipB-O4 21mer complex | | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3') | | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | | Deposit date: | 2015-04-02 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular mechanism on hipBA gene regulation.
To be published
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2WD8
 | | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | | Descriptor: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
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2WD7
 | | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066750 | | Descriptor: | 6-chloro-1H-benzimidazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
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3GN1
 | | Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116) | | Descriptor: | 1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tulloch, L.B, Brenk, R, Hunter, W.N. | | Deposit date: | 2009-03-16 | | Release date: | 2009-12-29 | | Last modified: | 2011-09-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
J.Med.Chem., 52, 2009
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2Y63
 | | Crystal structure of Leishmanial E65Q-TIM complexed with Bromohydroxyacetone phosphate | | Descriptor: | (3-bromo-2-oxo-propoxy)phosphonic acid, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Venkatesan, R, Alahuhta, M, Pihko, P.M, Wierenga, R.K. | | Deposit date: | 2011-01-19 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | High Resolution Crystal Structures of Triosephosphate Isomerase Complexed with its Suicide Inhibitors: The Conformational Flexibility of the Catalytic Glutamate in its Closed, Liganded Active Site.
Protein Sci., 20, 2011
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2VTZ
 | | Biosynthetic thiolase from Z. ramigera. Complex of the C89A mutant with coenzyme A. | | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, COENZYME A, SULFATE ION | | Authors: | Kursula, P, Merilainen, G, Wierenga, R.K. | | Deposit date: | 2008-05-19 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Sulfur Atoms of the Substrate Coa and the Catalytic Cysteine are Required for a Productive Mode of Substrate Binding in Bacterial Biosynthetic Thiolase, a Thioester-Dependent Enzyme.
FEBS J., 275, 2008
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8QM1
 | | wild type Pa.FabF in complex cerulenin | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | | Deposit date: | 2023-09-21 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
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3B3I
 | | Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Beltrami, A, Rossmann, M, Fiorillo, M.T, Paladini, F, Sorrentino, R, Saenger, W, Kumar, P, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2007-10-22 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes.
J.Biol.Chem., 283, 2008
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3B6S
 | | Crystal Structure of hla-b*2705 Complexed with the Citrullinated Vasoactive Intestinal Peptide Type 1 Receptor (vipr) Peptide (residues 400-408) | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ... | | Authors: | Beltrami, A, Rossmann, M, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, A. | | Deposit date: | 2007-10-29 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Citrullination-dependent Differential Presentation of a Self-peptide by HLA-B27 Subtypes.
J.Biol.Chem., 283, 2008
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2XO0
 | | xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening | | Descriptor: | 1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ... | | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | | Deposit date: | 2010-08-09 | | Release date: | 2011-04-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking.
Chem. Biol., 18, 2011
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2XNW
 | | XPT-PBUX C74U RIBOSWITCH FROM B. SUBTILIS BOUND TO A TRIAZOLO- TRIAZOLE-DIAMINE LIGAND IDENTIFIED BY VIRTUAL SCREENING | | Descriptor: | 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium, ACETATE ION, COBALT HEXAMMINE(III), ... | | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Brenk, R. | | Deposit date: | 2010-08-06 | | Release date: | 2011-04-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking.
Chem. Biol., 18, 2011
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2WL6
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2XNZ
 | | xpt-pbuX C74U Riboswitch from B. subtilis bound to acetoguanamine identified by virtual screening | | Descriptor: | 6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ... | | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | | Deposit date: | 2010-08-06 | | Release date: | 2011-04-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking.
Chem. Biol., 18, 2011
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2YIM
 | | The enolisation chemistry of a thioester-dependent racemase: the 1.4 A crystal structure of a complex with a planar reaction intermediate analogue | | Descriptor: | 2-METHYLACETOACETYL COA, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Sharma, S, Bhaumik, P, Venkatesan, R, Hiltunen, J.K, Conzelmann, E, Juffer, A.H, Wierenga, R.K. | | Deposit date: | 2011-05-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | The Enolization Chemistry of a Thioester-Dependent Racemase: The 1.4 A Crystal Structure of a Reaction Intermediate Complex Characterized by Detailed Qm/Mm Calculations.
J Phys Chem B, 116, 2012
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1GYR
 | | Mutant form of enoyl thioester reductase from Candida tropicalis | | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, SULFATE ION | | Authors: | Airenne, T.T, Torkko, J.M, Van Der Plas, S, Sormunen, R.T, Kastaniotis, A.J, Wierenga, R.K, Hiltunen, J.K. | | Deposit date: | 2002-04-29 | | Release date: | 2003-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Function Analysis of Enoyl Thioester Reductase Involved in Mitochondrial Maintenance
J.Mol.Biol., 327, 2003
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3OQN
 | | Structure of ccpa-hpr-ser46-p-gntr-down cre | | Descriptor: | 5'-D(*AP*TP*GP*GP*TP*AP*CP*CP*GP*CP*TP*TP*TP*CP*AP*A)-3', 5'-D(*TP*TP*GP*AP*AP*AP*GP*CP*GP*GP*TP*AP*CP*CP*AP*T)-3', Catabolite control protein A, ... | | Authors: | Schumacher, M.A, Sprehe, M, Bartholomae, M, Hillen, W, Brennan, R.G. | | Deposit date: | 2010-09-03 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of carbon catabolite protein A-(HPr-Ser46-P) bound to diverse catabolite response element sites reveal the basis for high-affinity binding to degenerate DNA operators.
Nucleic Acids Res., 39, 2011
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3OQM
 | | structure of ccpa-hpr-ser46p-ackA2 complex | | Descriptor: | 5'-D(*TP*TP*GP*AP*TP*AP*AP*CP*GP*CP*TP*TP*AP*CP*AP*A)-3', 5'-D(*TP*TP*GP*TP*AP*AP*GP*CP*GP*TP*TP*AP*TP*CP*AP*A)-3', Catabolite control protein A, ... | | Authors: | Schumacher, M.A, Sprehe, M, Bartholomae, M, Hillen, W, Brennan, R.G. | | Deposit date: | 2010-09-03 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Structures of carbon catabolite protein A-(HPr-Ser46-P) bound to diverse catabolite response element sites reveal the basis for high-affinity binding to degenerate DNA operators.
Nucleic Acids Res., 39, 2011
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