5VLR
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![BU of 5vlr by Molmil](/molmil-images/mine/5vlr) | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | Descriptor: | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Sack, J.S. | Deposit date: | 2017-04-26 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders. J. Med. Chem., 60, 2017
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3F82
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![BU of 3f82 by Molmil](/molmil-images/mine/3f82) | |
4MZC
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![BU of 4mzc by Molmil](/molmil-images/mine/4mzc) | Atomic Resolution Structure of PfGrx1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin | Authors: | Yogavel, M, Sharma, A. | Deposit date: | 2013-09-30 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.949 Å) | Cite: | Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins. Acta Crystallogr.,Sect.D, 70, 2014
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4MZB
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![BU of 4mzb by Molmil](/molmil-images/mine/4mzb) | Crystal structure of Grx1 from Plasmodium falciparum | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin | Authors: | Yogavel, M, Sharma, A. | Deposit date: | 2013-09-30 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.038 Å) | Cite: | Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins. Acta Crystallogr.,Sect.D, 70, 2014
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7XFA
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![BU of 7xfa by Molmil](/molmil-images/mine/7xfa) | Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor | Descriptor: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Shukla, J, Raman, S, Ghosh, K. | Deposit date: | 2022-04-01 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3. J.Med.Chem., 65, 2022
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2Z8V
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![BU of 2z8v by Molmil](/molmil-images/mine/2z8v) | Structure of an IgNAR-AMA1 complex | Descriptor: | Apical membrane antigen 1, New antigen receptor variable domain | Authors: | Streltsov, V.A, Henderson, K.A, Batchelor, A.H, Coley, A.M, Nuttall, S.D. | Deposit date: | 2007-09-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of an IgNAR-AMA1 Complex: Targeting a Conserved Hydrophobic Cleft Broadens Malarial Strain Recognition Structure, 15, 2007
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2ISC
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![BU of 2isc by Molmil](/molmil-images/mine/2isc) | Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with DADMe-Imm-A | Descriptor: | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL, PHOSPHATE ION, purine nucleoside phosphorylase | Authors: | Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L. | Deposit date: | 2006-10-17 | Release date: | 2007-06-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues Biochemistry, 46, 2007
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2I4T
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![BU of 2i4t by Molmil](/molmil-images/mine/2i4t) | Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with Imm-A | Descriptor: | 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R, PHOSPHATE ION, Trichomonas vaginalis purine nucleoside phosphorylase | Authors: | Rinaldo-Matthis, A, Schramm, V.L, Almo, S.C. | Deposit date: | 2006-08-22 | Release date: | 2007-06-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues. Biochemistry, 46, 2007
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2Z8W
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![BU of 2z8w by Molmil](/molmil-images/mine/2z8w) | Structure of an IgNAR-AMA1 complex | Descriptor: | Apical membrane antigen 1, New antigen receptor variable domain | Authors: | Streltsov, V.A, Henderson, K.A, Batchelor, A.H, Coley, A.M, Nuttall, S.D. | Deposit date: | 2007-09-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of an IgNAR-AMA1 Complex: Targeting a Conserved Hydrophobic Cleft Broadens Malarial Strain Recognition Structure, 15, 2007
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6YEL
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![BU of 6yel by Molmil](/molmil-images/mine/6yel) | Stromal interaction molecule 1 coiled-coil 1 fragment | Descriptor: | Stromal interaction molecule 1 | Authors: | Rathner, P, Cerofolini, L, Ravera, E, Bechmann, M, Grabmayr, H, Fahrner, M, Fragai, M, Romanin, C, Luchinat, C, Mueller, N. | Deposit date: | 2020-03-25 | Release date: | 2020-09-02 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation. Nat.Chem.Biol., 17, 2021
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5EC6
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![BU of 5ec6 by Molmil](/molmil-images/mine/5ec6) | |
5EE2
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![BU of 5ee2 by Molmil](/molmil-images/mine/5ee2) | |
5EE4
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![BU of 5ee4 by Molmil](/molmil-images/mine/5ee4) | |
4HJM
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![BU of 4hjm by Molmil](/molmil-images/mine/4hjm) | |
5CF8
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![BU of 5cf8 by Molmil](/molmil-images/mine/5cf8) | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | Descriptor: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Sack, J.S. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. Acs Med.Chem.Lett., 6, 2015
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5W2P
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![BU of 5w2p by Molmil](/molmil-images/mine/5w2p) | Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5 | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ... | Authors: | Capodagli, G.C, Neiditch, M.B. | Deposit date: | 2017-06-06 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA. MBio, 9, 2018
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5W2Q
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![BU of 5w2q by Molmil](/molmil-images/mine/5w2q) | Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5 | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ... | Authors: | Capodagli, G.C, Neiditch, M.B. | Deposit date: | 2017-06-06 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA. MBio, 9, 2018
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5W2O
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![BU of 5w2o by Molmil](/molmil-images/mine/5w2o) | Crystal structure of Mycobacterium tuberculosis KasA | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ... | Authors: | Capodagli, G.C, Neiditch, M.B. | Deposit date: | 2017-06-06 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA. MBio, 9, 2018
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5W2S
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![BU of 5w2s by Molmil](/molmil-images/mine/5w2s) | |
4FXW
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![BU of 4fxw by Molmil](/molmil-images/mine/4fxw) | Structure of phosphorylated SF1 complex with U2AF65-UHM domain | Descriptor: | SULFATE ION, Splicing factor 1, Splicing factor U2AF 65 kDa subunit | Authors: | Wang, W, Bauer, W.J, Wedekind, J.E, Kielkopf, C.L. | Deposit date: | 2012-07-03 | Release date: | 2013-01-16 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure of Phosphorylated SF1 Bound to U2AF(65) in an Essential Splicing Factor Complex. Structure, 21, 2013
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6CTC
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![BU of 6ctc by Molmil](/molmil-images/mine/6ctc) | |
6D5X
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![BU of 6d5x by Molmil](/molmil-images/mine/6d5x) | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, Adenosylcobalamin, and Triphosphate | Descriptor: | 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ... | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | Deposit date: | 2018-04-19 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy. J. Am. Chem. Soc., 140, 2018
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3VAK
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![BU of 3vak by Molmil](/molmil-images/mine/3vak) | Structure of U2AF65 variant with BrU5 DNA | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*UP*U)-3'), GLYCEROL, ... | Authors: | Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2011-12-29 | Release date: | 2013-02-13 | Last modified: | 2017-08-16 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res., 41, 2013
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3VAF
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![BU of 3vaf by Molmil](/molmil-images/mine/3vaf) | Structure of U2AF65 variant with BrU3 DNA | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA 5'-D(*UP*UP*(BRU)P*(BRU)P*UP*UP*U)-3', GLYCEROL, ... | Authors: | Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2011-12-29 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res., 41, 2013
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3VAM
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![BU of 3vam by Molmil](/molmil-images/mine/3vam) | Structure of U2AF65 variant with BrU5C2 DNA | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*CP*UP*UP*(BRU)P*UP*U)-3'), GLYCEROL, ... | Authors: | Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2011-12-29 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res., 41, 2013
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