5ACN
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6ACN
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4MT2
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3HS4
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![BU of 3hs4 by Molmil](/molmil-images/mine/3hs4) | Human carbonic anhydrase II complexed with acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Robbins, A.H, Genis, C, Domsic, J, Sippel, K.H, Agbandje-McKenna, M, McKenna, R. | Deposit date: | 2009-06-10 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-resolution structure of human carbonic anhydrase II complexed with acetazolamide reveals insights into inhibitor drug design. Acta Crystallogr.,Sect.F, 65, 2009
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3F9Q
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3MWO
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5G2N
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![BU of 5g2n by Molmil](/molmil-images/mine/5g2n) | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | Deposit date: | 2016-04-11 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946) Chemmedchem, 11, 2016
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1KTE
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2R5Q
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![BU of 2r5q by Molmil](/molmil-images/mine/2r5q) | Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-04 | Release date: | 2007-11-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease Biochemistry, 47, 2008
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2R8N
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![BU of 2r8n by Molmil](/molmil-images/mine/2r8n) | Structural Analysis of the Unbound Form of HIV-1 Subtype C Protease | Descriptor: | GLYCEROL, Pol protein | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-11 | Release date: | 2008-07-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution structure of unbound human immunodeficiency virus 1 subtype C protease: implications of flap dynamics and drug resistance. Acta Crystallogr.,Sect.D, 64, 2008
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2R9B
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![BU of 2r9b by Molmil](/molmil-images/mine/2r9b) | Structural Analysis of Plasmepsin 2 from Plasmodium falciparum complexed with a peptide-based inhibitor | Descriptor: | Plasmepsin-2, peptide-based inhibitor | Authors: | Liu, P, Marzahn, M.R, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-12 | Release date: | 2007-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis. Biochemistry, 48, 2009
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2R5P
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![BU of 2r5p by Molmil](/molmil-images/mine/2r5p) | Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Indinavir | Descriptor: | CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, Protease, ... | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-04 | Release date: | 2007-11-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease Biochemistry, 47, 2008
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3EKI
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![BU of 3eki by Molmil](/molmil-images/mine/3eki) | Structural insights of the Mycoplasma hyorhinis protein Mh-p37: A putative thiamine pyrophosphate transporter | Descriptor: | BROMIDE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Sippel, K.H, Robbins, A.H, Reutzel, R, McKenna, R. | Deposit date: | 2008-09-19 | Release date: | 2009-06-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the extracytoplasmic thiamine-binding lipoprotein p37 of Mycoplasma hyorhinis J.Bacteriol., 191, 2009
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3E78
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![BU of 3e78 by Molmil](/molmil-images/mine/3e78) | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37 | Descriptor: | CALCIUM ION, CHLORIDE ION, High affinity transport system protein p37, ... | Authors: | Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R. | Deposit date: | 2008-08-18 | Release date: | 2008-10-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37. Acta Crystallogr.,Sect.D, 64, 2008
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3E79
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![BU of 3e79 by Molmil](/molmil-images/mine/3e79) | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37 | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R. | Deposit date: | 2008-08-18 | Release date: | 2008-10-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37. Acta Crystallogr.,Sect.D, 64, 2008
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3RGE
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3RG3
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3RG4
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3PWE
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![BU of 3pwe by Molmil](/molmil-images/mine/3pwe) | Crystal structure of the E. coli beta clamp mutant R103C, I305C, C260S, C333S at 2.2A resolution | Descriptor: | DNA polymerase III subunit beta | Authors: | Marzahn, M.R, Robbins, A.H, McKenna, R, Bloom, L.B. | Deposit date: | 2010-12-08 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | The E. coli clamp loader can actively pry open the beta-sliding clamp J.Biol.Chem., 286, 2011
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3U7C
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![BU of 3u7c by Molmil](/molmil-images/mine/3u7c) | crystal structure of the V143I mutant of human carbonic anhydrase II | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | Authors: | West, D.M, Kim, C.U, Robbins, A.H, Mckenna, R. | Deposit date: | 2011-10-13 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | crystal structure of the V143I mutant of human carbonic anhydrase II To be Published
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3N0N
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![BU of 3n0n by Molmil](/molmil-images/mine/3n0n) | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | Deposit date: | 2010-05-14 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3ML2
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![BU of 3ml2 by Molmil](/molmil-images/mine/3ml2) | Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor | Descriptor: | 2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations. Bioorg.Med.Chem., 18, 2010
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3MNA
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![BU of 3mna by Molmil](/molmil-images/mine/3mna) | The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-21 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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3MMF
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![BU of 3mmf by Molmil](/molmil-images/mine/3mmf) | Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-19 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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3OKV
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![BU of 3okv by Molmil](/molmil-images/mine/3okv) | Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate | Descriptor: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | Deposit date: | 2010-08-25 | Release date: | 2011-07-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
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