3LB9
| Crystal structure of the B. circulans cpA123 circular permutant | Descriptor: | Endo-1,4-beta-xylanase | Authors: | D'Angelo, I, Reitinger, S, Ludwiczek, M, Strynadka, N, Withers, S.G, Mcintosh, L.P. | Deposit date: | 2010-01-08 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Circular permutation of Bacillus circulans xylanase: a kinetic and structural study. Biochemistry, 49, 2010
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7E5F
| HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH TIPP703 OBTAINED BY SOAKING | Descriptor: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Oyama, T, Kamata, S, Ishii, I, Miyachi, H. | Deposit date: | 2021-02-18 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structures of the Human Peroxisome Proliferator-Activated Receptor (PPAR) alpha Ligand-Binding Domain in Complexes with a Series of Phenylpropanoic Acid Derivatives Generated by a Ligand-Exchange Soaking Method. Biol.Pharm.Bull., 44, 2021
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7E5G
| HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH YN4pai OBTAINED BY SOAKING | Descriptor: | (2S)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Oyama, T, Kamata, S, Ishii, I, Miyachi, H. | Deposit date: | 2021-02-18 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal Structures of the Human Peroxisome Proliferator-Activated Receptor (PPAR) alpha Ligand-Binding Domain in Complexes with a Series of Phenylpropanoic Acid Derivatives Generated by a Ligand-Exchange Soaking Method. Biol.Pharm.Bull., 44, 2021
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1W3X
| Isopenicillin N synthase d-(L-a-aminoadipoyl)-(3R)-methyl-L-cysteine D-a-hydroxyisovaleryl ester complex (Oxygen exposed 5 minutes 20 bar) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-L-LYSINE | Authors: | Daruzzaman, A, Clifton, I.J, Rutledge, P.J. | Deposit date: | 2004-07-20 | Release date: | 2005-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Unexpected Oxidation of a Depsipeptide Substrate Analogue in Crystalline Isopenicillin N Synthase. Chembiochem, 7, 2006
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4ANB
| Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | Deposit date: | 2012-03-16 | Release date: | 2012-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
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1DY6
| Structure of the imipenem-hydrolyzing beta-lactamase SME-1 | Descriptor: | CARBAPENEM-HYDROLYSING BETA-LACTAMASE SME-1 | Authors: | Sougakoff, W, L'Hermite, G, Billy, I, Guillet, V, Naas, T, Nordman, P, Jarlier, V, Delettre, J. | Deposit date: | 2000-01-27 | Release date: | 2001-01-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure of the Imipenem-Hydrolyzing Class a Beta-Lactamase Sme-1 from Serratia Marcescens. Acta Crystallogr.,Sect.D, 58, 2002
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7E5H
| HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH APHM6 OBTAINED BY COCRYSTALLIZATION | Descriptor: | (2S)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Oyama, T, Kamata, S, Ishii, I, Miyachi, H. | Deposit date: | 2021-02-18 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal Structures of the Human Peroxisome Proliferator-Activated Receptor (PPAR) alpha Ligand-Binding Domain in Complexes with a Series of Phenylpropanoic Acid Derivatives Generated by a Ligand-Exchange Soaking Method. Biol.Pharm.Bull., 44, 2021
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1W04
| Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe-NO Complex | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE, FE (II) ION, HYDROXYAMINE, ... | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | Deposit date: | 2004-06-01 | Release date: | 2005-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine Biochemistry, 44, 2005
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4AN9
| Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | Deposit date: | 2012-03-16 | Release date: | 2012-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
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3LQ0
| Zymogen structure of crayfish astacin metallopeptidase | Descriptor: | GLYCEROL, ProAstacin, SULFATE ION, ... | Authors: | Guevara, T, Yiallouros, I, Kappelhoff, R, Bissdorf, S, Stocker, W, Gomis-Ruth, F.X. | Deposit date: | 2010-02-08 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Proenzyme structure and activation of astacin metallopeptidase J.Biol.Chem., 285, 2010
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1W06
| Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-Fe NO Complex | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE, FE (II) ION, HYDROXYAMINE, ... | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | Deposit date: | 2004-06-01 | Release date: | 2005-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine Biochemistry, 44, 2005
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1W35
| FERREDOXIN-NADP+ REDUCTASE (MUTATION: Y 303 W) | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Perez-Dorado, I, Medina, M, Julvez, M.M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2004-07-13 | Release date: | 2005-07-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H. Biochemistry, 44, 2005
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1W34
| FERREDOXIN-NADP REDUCTASE (MUTATION: Y 303 S) | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Perez-Dorado, I, Medina, M, Julvez, M.M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2004-07-13 | Release date: | 2005-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H. Biochemistry, 44, 2005
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1W52
| Crystal structure of a proteolyzed form of pancreatic lipase related protein 2 from horse | Descriptor: | CALCIUM ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, PANCREATIC LIPASE RELATED PROTEIN 2 | Authors: | Mancheno, J.M, Jayne, S, Kerfelec, B, Chapus, C, Crenon, I, Hermoso, J.A. | Deposit date: | 2004-08-04 | Release date: | 2006-07-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystalization of a Proteolyzed Form of the Horse Pancreatic Lipase-Related Protein 2: Structural Basis for the Specific Detergent Requirement. Acta Crystallogr.,Sect.D, 60, 2004
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1W28
| Conformational flexibility of the C-terminus with implications for substrate binding and catalysis in a new crystal form of deacetoxycephalosporin C synthase | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-06-30 | Release date: | 2004-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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3LNB
| Crystal Structure Analysis of Arylamine N-acetyltransferase C from Bacillus anthracis | Descriptor: | COENZYME A, FORMIC ACID, N-acetyltransferase family protein | Authors: | Li de la Sierra-Gallay, I, Pluvinage, B, Rodrigues-Lima, F. | Deposit date: | 2010-02-02 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Bacillus anthracis arylamine N-acetyltransferase ((BACAN)NAT1) that inactivates sulfamethoxazole, reveals unusual structural features compared with the other NAT isoenzymes. Febs Lett., 585, 2011
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7BFL
| X-ray structure of SS-RNase-2 des116-120 | Descriptor: | Angiogenin-1 | Authors: | Sica, F, Russo Krauss, I, Troisi, R. | Deposit date: | 2021-01-04 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition. Int.J.Biol.Macromol., 182, 2021
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1UOB
| Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and penicillin G | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHETASE, FE (II) ION, ... | Authors: | Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I. | Deposit date: | 2003-09-16 | Release date: | 2004-01-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme Nat.Struct.Mol.Biol., 11, 2004
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1UNB
| Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and ampicillin | Descriptor: | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHETASE, ... | Authors: | Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I. | Deposit date: | 2003-09-09 | Release date: | 2004-01-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme Nat.Struct.Mol.Biol., 11, 2004
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4BI0
| Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 5H-pyrimido[5,4-b]indole, ... | Authors: | Langdon, S.R, Westwood, I.M, van Montfort, R.L.M, Brown, N, Blagg, J. | Deposit date: | 2013-04-09 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors. J.Chem.Inf.Model, 53, 2013
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7BFK
| X-ray structure of SS-RNase-2 | Descriptor: | Angiogenin-1 | Authors: | Sica, F, Russo Krauss, I, Troisi, R. | Deposit date: | 2021-01-04 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition. Int.J.Biol.Macromol., 182, 2021
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4JM6
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-13 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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1UOG
| Deacetoxycephalosporin C synthase complexed with deacetoxycephalosporin C | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHETASE, DEACETOXYCEPHALOSPORIN-C, FE (II) ION | Authors: | Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I. | Deposit date: | 2003-09-17 | Release date: | 2004-01-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme Nat.Struct.Mol.Biol., 11, 2004
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1D6A
| STRUCTURE OF POKEWEED ANTIVIRAL PROTEIN COMPLEXED WITH GUANINE | Descriptor: | GUANINE, POKEWEED ANTIVIRAL PROTEIN | Authors: | Kurinov, I.V, Rajamohan, F, Venkatachalam, T.K, Uckun, F.M. | Deposit date: | 1999-10-12 | Release date: | 1999-12-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray crystallographic analysis of the structural basis for the interaction of pokeweed antiviral protein with guanine residues of ribosomal RNA. Protein Sci., 8, 1999
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1UW7
| Nsp9 protein from SARS-coronavirus. | Descriptor: | NSP9 | Authors: | Sutton, G, Fry, E, Carter, L, Sainsbury, S, Walter, T, Nettleship, J, Berrow, N, Owens, R, Gilbert, R, Davidson, A, Siddell, S, Poon, L.L.M, Diprose, J, Alderton, D, Walsh, M, Grimes, J.M, Stuart, D.I. | Deposit date: | 2004-01-30 | Release date: | 2004-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Nsp9 Replicase Protein of Sars-Coronavirus, Structure and Functional Insights Structure, 12, 2004
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