1NHP
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![BU of 1nhp by Molmil](/molmil-images/mine/1nhp) | CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION | Authors: | Mande, S.S, Claiborne, A, Hol, W.G.J. | Deposit date: | 1994-12-09 | Release date: | 1995-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic analyses of NADH peroxidase Cys42Ala and Cys42Ser mutants: active site structures, mechanistic implications, and an unusual environment of Arg 303. Biochemistry, 34, 1995
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1NHS
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1NHR
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1NHQ
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![BU of 1nhq by Molmil](/molmil-images/mine/1nhq) | CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION | Authors: | Mande, S.S, Claiborne, A, Hol, W.G.J. | Deposit date: | 1994-12-09 | Release date: | 1995-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic analyses of NADH peroxidase Cys42Ala and Cys42Ser mutants: active site structures, mechanistic implications, and an unusual environment of Arg 303. Biochemistry, 34, 1995
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1QS0
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![BU of 1qs0 by Molmil](/molmil-images/mine/1qs0) | Crystal Structure of Pseudomonas Putida 2-oxoisovalerate Dehydrogenase (Branched-Chain Alpha-Keto Acid Dehydrogenase, E1B) | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, 2-OXOISOVALERATE DEHYDROGENASE ALPHA-SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA-SUBUNIT, ... | Authors: | Aevarsson, A, Seger, K, Turley, S, Sokatch, J.R, Hol, W.G.J. | Deposit date: | 1999-06-24 | Release date: | 1999-08-18 | Last modified: | 2021-08-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of 2-oxoisovalerate and dehydrogenase and the architecture of 2-oxo acid dehydrogenase multienzyme complexes. Nat.Struct.Biol., 6, 1999
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1HTI
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1IIG
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![BU of 1iig by Molmil](/molmil-images/mine/1iig) | STRUCTURE OF TRYPANOSOMA BRUCEI BRUCEI TRIOSEPHOSPHATE ISOMERASE COMPLEXED WITH 3-PHOSPHONOPROPIONATE | Descriptor: | 3-PHOSPHONOPROPANOIC ACID, TRIOSEPHOSPHATE ISOMERASE | Authors: | Noble, M.E, Wierenga, R.K, Lambeir, A.M, Opperdoes, F.R, Thunnissen, A.M, Kalk, K.H, Groendijk, H, Hol, W.G.J. | Deposit date: | 2001-04-23 | Release date: | 2001-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes. Proteins, 10, 1991
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1IIH
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![BU of 1iih by Molmil](/molmil-images/mine/1iih) | STRUCTURE OF TRYPANOSOMA BRUCEI BRUCEI TRIOSEPHOSPHATE ISOMERASE COMPLEXED WITH 3-PHOSPHOGLYCERATE | Descriptor: | 3-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE | Authors: | Noble, M.E, Wierenga, R.K, Lambeir, A.M, Opperdoes, F.R, Thunnissen, A.M, Kalk, K.H, Groendijk, H, Hol, W.G.J. | Deposit date: | 2001-04-23 | Release date: | 2001-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes. Proteins, 10, 1991
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1JVZ
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![BU of 1jvz by Molmil](/molmil-images/mine/1jvz) | Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid | Descriptor: | 7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID, cephalosporin acylase alpha chain, cephalosporin acylase beta chain | Authors: | Kim, Y, Hol, W.G.J. | Deposit date: | 2001-09-01 | Release date: | 2002-09-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid and glutarate: insight into the basis of its substrate specificity CHEM.BIOL., 8, 2001
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1JQY
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![BU of 1jqy by Molmil](/molmil-images/mine/1jqy) | HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010 | Descriptor: | (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, HEAT-LABILE ENTEROTOXIN B CHAIN | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 2001-08-09 | Release date: | 2002-05-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes. Chem.Biol., 9, 2002
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1HXI
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![BU of 1hxi by Molmil](/molmil-images/mine/1hxi) | AN UNEXPECTED EXTENDED CONFORMATION FOR THE THIRD TPR MOTIF OF THE PEROXIN PEX5 FROM TRYPANOSOMA BRUCEI | Descriptor: | MAGNESIUM ION, PEROXISOME TARGETING SIGNAL 1 RECEPTOR PEX5 | Authors: | Kumar, A, Roach, C, Hirsh, I.S, Turley, S, deWalque, S, Michels, P.A.M, Hol, W.G.J. | Deposit date: | 2001-01-15 | Release date: | 2001-03-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An unexpected extended conformation for the third TPR motif of the peroxin PEX5 from Trypanosoma brucei. J.Mol.Biol., 307, 2001
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1I32
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![BU of 1i32 by Molmil](/molmil-images/mine/1i32) | LEISHMANIA MEXICANA GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH INHIBITORS | Descriptor: | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | Authors: | Suresh, S, Bressi, J.C, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | Deposit date: | 2001-02-12 | Release date: | 2001-10-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conformational changes in Leishmania mexicana glyceraldehyde-3-phosphate dehydrogenase induced by designed inhibitors. J.Mol.Biol., 309, 2001
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1JOA
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![BU of 1joa by Molmil](/molmil-images/mine/1joa) | NADH PEROXIDASE WITH CYSTEINE-SULFENIC ACID | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE | Authors: | Yeh, J.I, Claiborne, A.C, Hol, W.G.J. | Deposit date: | 1996-07-02 | Release date: | 1997-01-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the native cysteine-sulfenic acid redox center of enterococcal NADH peroxidase refined at 2.8 A resolution. Biochemistry, 35, 1996
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1F8W
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1LLR
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![BU of 1llr by Molmil](/molmil-images/mine/1llr) | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012 | Descriptor: | 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE, 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside, CHOLERA TOXIN B SUBUNIT | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 2002-04-30 | Release date: | 2002-08-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin. J.Am.Chem.Soc., 124, 2002
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1JR0
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![BU of 1jr0 by Molmil](/molmil-images/mine/1jr0) | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011 | Descriptor: | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 2001-08-09 | Release date: | 2002-05-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes. Chem.Biol., 9, 2002
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1JDJ
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![BU of 1jdj by Molmil](/molmil-images/mine/1jdj) | CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE | Descriptor: | 6-CHLORO-2-FLUOROPURINE, GLYCEROL-3-PHOSPHATE DEHYDROGENASE, PENTADECANE | Authors: | Suresh, S, Wisedchaisri, G, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | Deposit date: | 2001-06-14 | Release date: | 2002-06-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase. Chem.Biol., 9, 2002
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1I33
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![BU of 1i33 by Molmil](/molmil-images/mine/1i33) | LEISHMANIA MEXICANA GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH INHIBITORS | Descriptor: | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | Authors: | Suresh, S, Bressi, J.C, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | Deposit date: | 2001-02-12 | Release date: | 2001-10-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conformational changes in Leishmania mexicana glyceraldehyde-3-phosphate dehydrogenase induced by designed inhibitors. J.Mol.Biol., 309, 2001
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1LTI
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![BU of 1lti by Molmil](/molmil-images/mine/1lti) | HEAT-LABILE ENTEROTOXIN (LT-I) COMPLEX WITH T-ANTIGEN | Descriptor: | HEAT LABILE ENTEROTOXIN TYPE I, beta-D-galactopyranose, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | Authors: | Van Den Akker, F, Hol, W.G.J. | Deposit date: | 1996-05-09 | Release date: | 1996-08-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Tumor marker disaccharide D-Gal-beta 1, 3-GalNAc complexed to heat-labile enterotoxin from Escherichia coli. Protein Sci., 5, 1996
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1JY1
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![BU of 1jy1 by Molmil](/molmil-images/mine/1jy1) | CRYSTAL STRUCTURE OF HUMAN TYROSYL-DNA PHOSPHODIESTERASE (TDP1) | Descriptor: | TYROSYL-DNA PHOSPHODIESTERASE | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | Deposit date: | 2001-09-10 | Release date: | 2002-02-20 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The crystal structure of human tyrosyl-DNA phosphodiesterase, Tdp1. Structure, 10, 2002
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1JW0
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![BU of 1jw0 by Molmil](/molmil-images/mine/1jw0) | Structure of cephalosporin acylase in complex with glutarate | Descriptor: | GLUTARIC ACID, cephalosporin acylase alpha chain, cephalosporin acylase beta chain | Authors: | Kim, Y, Hol, W.G.J. | Deposit date: | 2001-09-01 | Release date: | 2002-09-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid and glutarate: insight into the basis of its substrate specificity CHEM.BIOL., 8, 2001
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1LEP
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6AX8
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![BU of 6ax8 by Molmil](/molmil-images/mine/6ax8) | Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate | Descriptor: | Methionine-tRNA ligase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2017-09-06 | Release date: | 2018-04-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of the drug target Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with a catalytic intermediate. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6BQM
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![BU of 6bqm by Molmil](/molmil-images/mine/6bqm) | Secreted serine protease VesC from Vibrio cholerae | Descriptor: | serine protease VesC | Authors: | Park, Y.J, Korotkov, K.V, Delarosa, J.R, Turley, S, DiMaio, F, Hol, W.G.J. | Deposit date: | 2017-11-28 | Release date: | 2018-11-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Suppressor Mutations in Type II Secretion Mutants of Vibrio cholerae: Inactivation of the VesC Protease. Msphere, 5, 2020
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6CML
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![BU of 6cml by Molmil](/molmil-images/mine/6cml) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 2093) | Descriptor: | 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2018-03-05 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei Rsc Med Chem, 11, 2020
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