4GK6
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6PK2
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![BU of 6pk2 by Molmil](/molmil-images/mine/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
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6P7U
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4HR3
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8FLN
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![BU of 8fln by Molmil](/molmil-images/mine/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
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8FLL
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![BU of 8fll by Molmil](/molmil-images/mine/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
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2VCQ
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![BU of 2vcq by Molmil](/molmil-images/mine/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
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6PRW
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6NW8
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![BU of 6nw8 by Molmil](/molmil-images/mine/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
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2Y7S
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2VCZ
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![BU of 2vcz by Molmil](/molmil-images/mine/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
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2VD0
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![BU of 2vd0 by Molmil](/molmil-images/mine/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
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6PWH
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2VCX
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![BU of 2vcx by Molmil](/molmil-images/mine/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
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4HDT
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2WR9
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![BU of 2wr9 by Molmil](/molmil-images/mine/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
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2WRA
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![BU of 2wra by Molmil](/molmil-images/mine/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
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1GYQ
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![BU of 1gyq by Molmil](/molmil-images/mine/1gyq) | |
4IJN
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![BU of 4ijn by Molmil](/molmil-images/mine/4ijn) | |
4HS3
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![BU of 4hs3 by Molmil](/molmil-images/mine/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
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4J3J
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![BU of 4j3j by Molmil](/molmil-images/mine/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
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4JMP
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![BU of 4jmp by Molmil](/molmil-images/mine/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
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4IZ9
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2VCW
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![BU of 2vcw by Molmil](/molmil-images/mine/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
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2VD1
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![BU of 2vd1 by Molmil](/molmil-images/mine/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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