PDB: 17091 resultsInfo pagesStatus searchChemie searchBIRD

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4GK6	X-ray crystal structure of a hypothetical deoxyuridine 5-triphosphate nucleotidohydrolase from Mycobacterium abscessus Descriptor: CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-08-10 Release date: 2012-12-19 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
6PK2	CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P derivative FROM MYCOBACTERIUM TUBERCULOSIS Descriptor: 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide, Propionyl-CoA carboxylase subunit beta Authors: Reddy, M.C.M, Nian, Z, Michele, T.C.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2019-06-28 Release date: 2020-07-01 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.402 Å) Cite: Elucidating the Inhibition and specificity of binding of herbicidal aryloxyphenoxypropionates derivatives to Mycobacterium tuberculosis carboxyltransferase domain of acetyl-coenzyme A(AccD6). To Be Published
6P7U	CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS Descriptor: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, Probable propionyl-CoA carboxylase beta chain 6 Authors: Reddy, M.C.M, Sacchettini, J.C, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2019-06-06 Release date: 2020-06-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.198 Å) Cite: Inhibition of Mycobacterium tuberculosis acetyl-CoA carboxyltransferase(AccD6)d omain of acetyl-coenzyme A carboxylase by quizalofop-p To Be Published
4HR3	Structure of a putative acyl-CoA dehydrogenase from Mycobacterium abscessus Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative acyl-CoA dehydrogenase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-10-26 Release date: 2012-11-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
8FLN	Crystal structure of BTK C481S kinase domain in complex with pirtobrutinib Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... Authors: Cedervall, E.P, Morales, T.H, Allerston, C.K. Deposit date: 2022-12-21 Release date: 2023-03-01 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.334 Å) Cite: Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor. Blood, 142, 2023
8FLL	Crystal structure of BTK kinase domain in complex with pirtobrutinib Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... Authors: Cedervall, E.P, Morales, T.H, Allerston, C.K. Deposit date: 2022-12-21 Release date: 2023-03-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor. Blood, 142, 2023
2VCQ	Complex structure of prostaglandin D2 synthase at 1.95A. Descriptor: 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE Authors: Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. Deposit date: 2007-09-26 Release date: 2008-04-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
6PRW	CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS Descriptor: Propionyl-CoA carboxylase subunit beta, {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid Authors: Reddy, M.C.M, Nian, Z, Michele, S.T.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2019-07-11 Release date: 2020-07-22 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.609 Å) Cite: CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DEVERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS To Be Published
6NW8	SOLUTION STRUCTURE OF CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCORPION VENOM Descriptor: Cn29 Authors: Delepierre, M, Gurrola, G.B, Possani, L.D, Guijarro, J.I. Deposit date: 2019-02-06 Release date: 2019-07-03 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Cn29, a novel orphan peptide found in the venom of the scorpion Centruroides noxius: Structure and function. Toxicon, 167, 2019
2Y7S	Structure of a designed meningococcal antigen (factor H binding protein, mutant G1) inducing broad protective immunity Descriptor: FACTOR H BINDING PROTEIN Authors: Malito, E, Spraggon, G, Bottomley, M.J. Deposit date: 2011-02-01 Release date: 2011-07-27 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Rational Design of a Meningococcal Antigen Inducing Broad Protective Immunity. Sci.Transl.Med, 3, 2011
2VCZ	Complex structure of prostaglandin D2 synthase at 1.95A. Descriptor: 3-(4-nitrophenyl)-1H-pyrazole, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE Authors: Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. Deposit date: 2007-09-28 Release date: 2008-04-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
2VD0	Complex structure of prostaglandin D2 synthase at 2.2A. Descriptor: 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, ... Authors: Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. Deposit date: 2007-09-28 Release date: 2008-04-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
6PWH	Cystal structure of Myotoxin II from Bothrops moojeni co-crystallized with Varespladib (LY315920) Descriptor: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, Basic phospholipase A2 homolog 2, DIMETHYL SULFOXIDE Authors: Salvador, G.H.M, Fontes, M.R.M. Deposit date: 2019-07-23 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.749 Å) Cite: Structural basis for phospholipase A2-like toxin inhibition by the synthetic compound Varespladib (LY315920). Sci Rep, 9, 2019
2VCX	Complex structure of prostaglandin D2 synthase at 2.1A. Descriptor: GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, MAGNESIUM ION, ... Authors: Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. Deposit date: 2007-09-27 Release date: 2008-04-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
4HDT	Crystal structure of a Carnitinyl-CoA dehydratase from Mycobacterium thermoresistibile Descriptor: 3-hydroxyisobutyryl-CoA hydrolase, ACETATE ION, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-10-02 Release date: 2012-10-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
2WR9	CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA LECTIN (BCLA) COMPLEXED WITH AMAN1-3MAN DISACCHARIDE Descriptor: CALCIUM ION, LECTIN, SULFATE ION, ... Authors: Lameignere, E, Shiao, T.C, Roy, R, Wimmerova, M, Dubreuil, F, Varrot, A, Imberty, A. Deposit date: 2009-09-01 Release date: 2009-09-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural Basis of the Affinity for Oligomannosides and Analogs Displayed by Bc2L-A, a Burkholderia Cenocepacia Soluble Lectin. Glycobiology, 20, 2010
2WRA	BclA lectin from Burkholderia cenocepacia complexed with aMan1(aMan1- 6)-3Man trisaccharide Descriptor: CALCIUM ION, LECTIN, SULFATE ION, ... Authors: Lameignere, E, Shiao, T.C, Roy, R, Wimmerova, M, Dubreuil, F, Varrot, A, Imberty, A. Deposit date: 2009-09-01 Release date: 2009-09-29 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Structural Basis of the Affinity for Oligomannosides and Analogs Displayed by Bc2L-A, a Burkholderia Cenocepacia Soluble Lectin. Glycobiology, 20, 2010
1GYQ	CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE FROM LEISHMANIA MEXICANA IN COMPLEX WITH N6-BENZYL-NAD Descriptor: N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE) Authors: Suresh, S, Hol, W. Deposit date: 1999-03-05 Release date: 1999-03-16 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase. Proc.Natl.Acad.Sci.USA, 96, 1999
4IJN	Crystal structure of an acetate kinase from Mycobacterium smegmatis bound to AMP and sulfate Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Acetate kinase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-12-21 Release date: 2013-01-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4HS3	Crystal structure of H-2Kb with a disulfide stabilized F pocket in complex with the LCMV derived peptide GP34 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, Envelope glycoprotein, ... Authors: Uchtenhagen, H, Boulanger, B, Hein, Z, Abualrous, E.T, Zacharias, M, Werner, J, Elliott, T, Springer, S, Achour, A. Deposit date: 2012-10-29 Release date: 2014-05-07 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Peptide-independent stabilization of MHC class I molecules breaches cellular quality control. J.Cell.Sci., 127, 2014
4J3J	Crystal Structure of DPP-IV with Compound C3 Descriptor: Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide Authors: Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. Deposit date: 2013-02-05 Release date: 2014-02-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors Chemmedchem, 8, 2013
4JMP	Crystal structure of the chimerical protein CapA2B2 Descriptor: C-terminal fragment of CapA, Protein tyrosine kinase Authors: Olivares-Illana, V, Morera, S, Grangeasse, C, Nessler, S. Deposit date: 2013-03-14 Release date: 2014-02-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Comparative analysis of the Tyr-kinases CapB1 and CapB2 fused to their cognate modulators CapA1 and CapA2 from Staphylococcus aureus Plos One, 8, 2013
4IZ9	Crystal structure of an acetate kinase from Mycobacterium avium bound to an unknown acid-ApCpp conjugate and manganese Descriptor: 1,2-ETHANEDIOL, Acetate kinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-01-29 Release date: 2013-02-20 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
2VCW	Complex structure of prostaglandin D2 synthase at 1.95A. Descriptor: 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE Authors: Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. Deposit date: 2007-09-27 Release date: 2008-04-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
2VD1	Complex structure of prostaglandin D2 synthase at 2.25A. Descriptor: 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, ... Authors: Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. Deposit date: 2007-09-28 Release date: 2008-04-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008

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