1ATH
 
 | |
1PDH
 | |
1PBD
 | | CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | | Descriptor: | 4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | | Authors: | Schreuder, H.A, Mattevi, A, Hol, W.G.J. | | Deposit date: | 1994-07-06 | | Release date: | 1994-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring
Biochemistry, 33, 1994
|
|
1PBF
 | | CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | | Descriptor: | 2-HYDROXY-4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | | Authors: | Schreuder, H.A, Van Der Bolt, F.J.T, Van Berkel, W.J.H. | | Deposit date: | 1994-07-06 | | Release date: | 1994-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring
Biochemistry, 33, 1994
|
|
1PBB
 | | CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | | Descriptor: | 2,4-DIHYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | | Authors: | Schreuder, H.A, Mattevi, A, Hol, W.G.J. | | Deposit date: | 1994-07-06 | | Release date: | 1994-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring
Biochemistry, 33, 1994
|
|
1PBC
 | | CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING | | Descriptor: | 2-HYDROXY-4-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE | | Authors: | Schreuder, H.A, Van Der Bolt, F.J.T, Van Berkel, W.J.H. | | Deposit date: | 1994-07-06 | | Release date: | 1994-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring
Biochemistry, 33, 1994
|
|
1B0E
 | | CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE WITH MDL 101,146 | | Descriptor: | 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE, CALCIUM ION, PROTEIN (ELASTASE) | | Authors: | Schreuder, H.A, Metz, W.A, Peet, N.P, Pelton, J.T, Tardif, C. | | Deposit date: | 1998-11-09 | | Release date: | 1998-11-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones.
J.Med.Chem., 41, 1998
|
|
1B0F
 | | CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE WITH MDL 101, 146 | | Descriptor: | 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (ELASTASE) | | Authors: | Schreuder, H.A, Metz, W.A, Peet, N.P, Pelton, J.T, Tardif, C. | | Deposit date: | 1998-11-09 | | Release date: | 1998-11-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones.
J.Med.Chem., 41, 1998
|
|
1PBE
 | |
6R7S
 | | Human Serum Albumin, complexed with Sulfasalazine | | Descriptor: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2019-03-29 | | Release date: | 2020-04-08 | | Last modified: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Resolving Binding Events on the Multifunctional Human Serum Albumin.
Chemmedchem, 15, 2020
|
|
6YAU
 | | CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A. | | Descriptor: | 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2020-03-13 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.397 Å) | | Cite: | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
|
|
6YG9
 | | CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07. | | Descriptor: | 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2020-03-27 | | Release date: | 2021-01-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
|
|
7BKG
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (2) | | Descriptor: | 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2021-01-15 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.326 Å) | | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
|
|
7BLE
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3) | | Descriptor: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2021-01-18 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.809 Å) | | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
|
|
4CI9
 | | Crystal structure of cathepsin A, apo-structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T. | | Deposit date: | 2013-12-06 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases.
Biochem. Biophys. Res. Commun., 445, 2014
|
|
4CIB
 | | crystal structure of cathepsin a, complexed with compound 2 | | Descriptor: | 2-(cyclohexylmethyl)propanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | | Authors: | Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T. | | Deposit date: | 2013-12-06 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases.
Biochem. Biophys. Res. Commun., 445, 2014
|
|
4CIA
 | | Crystal structure of cathepsin A, complexed with compound 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, LYSOSOMAL PROTECTIVE PROTEIN, ... | | Authors: | Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T. | | Deposit date: | 2013-12-06 | | Release date: | 2014-02-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases.
Biochem. Biophys. Res. Commun., 445, 2014
|
|
6GB1
 | | Crystal structure of the GLP1 receptor ECD with Peptide 11 | | Descriptor: | Glucagon-like peptide 1 receptor, HEXANE-1,6-DIOL, Peptide 11, ... | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2018-04-13 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations.
J. Med. Chem., 61, 2018
|
|
7NBJ
 | |
7NBM
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (33) | | Descriptor: | (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one, Nicotinamide N-methyltransferase | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2021-01-27 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.691 Å) | | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
|
|
7NBQ
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4) | | Descriptor: | 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2021-01-27 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.479 Å) | | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
|
|
1IRA
 | | COMPLEX OF THE INTERLEUKIN-1 RECEPTOR WITH THE INTERLEUKIN-1 RECEPTOR ANTAGONIST (IL1RA) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERLEUKIN-1 RECEPTOR, INTERLEUKIN-1 RECEPTOR ANTAGONIST | | Authors: | Schreuder, H.A, Tardif, C, Tramp-Kalmeyer, S, Soffientini, A, Sarubbi, E, Akeson, A, Bowlin, T, Yanofsky, S, Barrett, R.W. | | Deposit date: | 1998-04-09 | | Release date: | 1998-06-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A new cytokine-receptor binding mode revealed by the crystal structure of the IL-1 receptor with an antagonist.
Nature, 386, 1997
|
|
1LPK
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. | | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION | | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-08 | | Release date: | 2003-05-08 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
|
|
1LQD
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. | | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION | | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-10 | | Release date: | 2003-05-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
|
|
1LPZ
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. | | Descriptor: | 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION | | Authors: | Schreuder, H.A, Brachvogel, V, Liesum, A. | | Deposit date: | 2002-05-08 | | Release date: | 2003-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Biol.Chem., 45, 2002
|
|
