4BVC
 
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE, APOLIPOPROTEIN(A), CHLORIDE ION, ... | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-25 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
|
|
4BVV
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
|
|
4BVW
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ... | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
|
|
4GV7
 | | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328 | | Descriptor: | 2-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 1 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2012-08-30 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Acs Chem.Biol., 8, 2013
|
|
4IRW
 | | Co-crystallization of streptavidin-biotin complex with a lanthanide-ligand complex gives rise to a novel crystal form | | Descriptor: | BIOTIN, PYRIDINE-2,6-DICARBOXYLIC ACID, SODIUM ION, ... | | Authors: | Bandara, R.A.M.S.S, Liu, D.Q, Hindupur, A, Tesh, K.F, Fox, R.O. | | Deposit date: | 2013-01-15 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.396 Å) | | Cite: | Co-crystallization of streptavidin-biotin complex with a lanthanide-ligand complex gives rise to a novel crystal form
To be Published
|
|
4L7P
 | | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0395 | | Descriptor: | (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2013-06-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
|
|
4L7N
 | | Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542 | | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2013-06-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
|
|
4L7R
 | | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400 | | Descriptor: | N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2013-06-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
|
|
4L7L
 | | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0368 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2013-06-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
|
|
4L7U
 | | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0398 | | Descriptor: | Poly [ADP-ribose] polymerase 3, methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2013-06-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
|
|
4F1L
 | | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z) | | Descriptor: | (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | | Authors: | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | | Deposit date: | 2012-05-07 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
|
|
4F0E
 | | Human ADP-RIBOSYLTRANSFERASE 7 (ARTD7/PARP15), CATALYTIC DOMAIN IN COMPLEX WITH STO1102 | | Descriptor: | 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one, Poly [ADP-ribose] polymerase 15 | | Authors: | Karlberg, T, Andersson, C.D, Lindgren, A, Thorsell, A.G, Ekblad, T, Spjut, S, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | | Deposit date: | 2012-05-04 | | Release date: | 2012-09-05 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
|
|
1GJP
 | | SCHIFF-BASE COMPLEX OF YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE WITH 4-OXOSEBACIC ACID | | Descriptor: | 4-OXODECANEDIOIC ACID, 5-AMINOLAEVULINIC ACID DEHYDRATASE, ZINC ION | | Authors: | Erskine, P.T, Coates, L, Newbold, R, Brindley, A.A, Wood, S.P, Warren, M.J, Cooper, J.B, Shoolingin-Jordan, P.M, Neier, R. | | Deposit date: | 2001-08-01 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Two Diacid Inhibitors
FEBS Lett., 503, 2001
|
|
4KB4
 | | Crystal structure of ribosome recycling factor mutant R31A from Mycobacterium tuberculosis | | Descriptor: | CADMIUM ION, Ribosome-recycling factor | | Authors: | Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M. | | Deposit date: | 2013-04-23 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants.
J.Biosci., 38, 2013
|
|
4F1Q
 | | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E) | | Descriptor: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | | Authors: | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | | Deposit date: | 2012-05-07 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
|
|
4KDD
 | | Structure of Mycobacterium tuberculosis ribosome recycling factor in presence of detergent | | Descriptor: | CADMIUM ION, DECYL-BETA-D-MALTOPYRANOSIDE, Ribosome-recycling factor | | Authors: | Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M. | | Deposit date: | 2013-04-24 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants.
J.Biosci., 38, 2013
|
|
4KAW
 | | Crystal structure of ribosome recycling factor mutant R39G from Mycobacterium tuberculosis | | Descriptor: | CADMIUM ION, Ribosome-recycling factor | | Authors: | Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M. | | Deposit date: | 2013-04-23 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants.
J.Biosci., 38, 2013
|
|
4KB2
 | | Crystal structure of ribosome recycling factor mutant R109A from Mycobacterium tuberculosis | | Descriptor: | CADMIUM ION, Ribosome-recycling factor | | Authors: | Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M. | | Deposit date: | 2013-04-23 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants.
J.Biosci., 38, 2013
|
|
4KC6
 | | Crystal structure of C-terminal deletion mutant of ribosome recycling factor from Mycobacterium tuberculosis | | Descriptor: | CADMIUM ION, Ribosome-recycling factor | | Authors: | Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M. | | Deposit date: | 2013-04-24 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants.
J.Biosci., 38, 2013
|
|
1H7P
 | | SCHIFF-BASE COMPLEX OF YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE WITH 4-KETO-5-AMINO-HEXANOIC (KAH) AT 1.64 A RESOLUTION | | Descriptor: | 5-AMINO-4-HYDROXYHEXANOIC ACID, 5-AMINOLAEVULINIC ACID DEHYDRATASE, ZINC ION | | Authors: | Erskine, P.T, Newbold, R, Brindley, A.A, Wood, S.P, Shoolingin-Jordan, P.M, Warren, M.J, Cooper, J.B. | | Deposit date: | 2001-07-09 | | Release date: | 2001-07-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Substrate and Three Inhibitors
J.Mol.Biol., 312, 2001
|
|
1H7O
 | | SCHIFF-BASE COMPLEX OF YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE WITH 5-AMINOLAEVULINIC ACID AT 1.7 A RESOLUTION | | Descriptor: | 5-AMINOLAEVULINIC ACID DEHYDRATASE, DELTA-AMINO VALERIC ACID, ZINC ION | | Authors: | Erskine, P.T, Newbold, R, Brindley, A.A, Wood, S.P, Shoolingin-Jordan, P.M, Warren, M.J, Cooper, J.B. | | Deposit date: | 2001-07-09 | | Release date: | 2001-07-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Substrate and Three Inhibitors
J.Mol.Biol., 312, 2001
|
|
1H7R
 | | SCHIFF-BASE COMPLEX OF YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE WITH SUCCINYLACETONE AT 2.0 A RESOLUTION. | | Descriptor: | 4,6-DIOXOHEPTANOIC ACID, 5-AMINOLAEVULINIC ACID DEHYDRATASE, ZINC ION | | Authors: | Erskine, P.T, Newbold, R, Brindley, A.A, Wood, S.P, Shoolingin-Jordan, P.M, Warren, M.J, Cooper, J.B. | | Deposit date: | 2001-07-09 | | Release date: | 2001-07-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Substrate and Three Inhibitors
J.Mol.Biol., 312, 2001
|
|
1H7N
 | | SCHIFF-BASE COMPLEX OF YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE WITH LAEVULINIC ACID AT 1.6 A RESOLUTION | | Descriptor: | 5-AMINOLAEVULINIC ACID DEHYDRATASE, LAEVULINIC ACID, ZINC ION | | Authors: | Erskine, P.T, Newbold, R, Brindley, A.A, Wood, S.P, Shoolingin-Jordan, P.M, Warren, M.J, Cooper, J.B. | | Deposit date: | 2001-07-09 | | Release date: | 2001-07-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Substrate and Three Inhibitors
J.Mol.Biol., 312, 2001
|
|
1ERQ
 | | X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID | | Descriptor: | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE | | Authors: | Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J. | | Deposit date: | 2000-04-06 | | Release date: | 2000-05-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,).
Biochemistry, 39, 2000
|
|
1EB3
 | | YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 4,7-DIOXOSEBACIC ACID COMPLEX | | Descriptor: | 4,7-DIOXOSEBACIC ACID, 5-AMINOLAEVULINIC ACID DEHYDRATASE, ZINC ION | | Authors: | Erskine, P.T, Coates, L, Newbold, R, Brindley, A.A, Stauffer, F, Wood, S.P, Warren, M.J, Cooper, J.B, Shoolingin-Jordan, P.M, Neier, R. | | Deposit date: | 2001-07-18 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Two Diacid Inhibitors
FEBS Lett., 503, 2001
|
|
