3ZNC
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![BU of 3znc by Molmil](/molmil-images/mine/3znc) | MURINE CARBONIC ANHYDRASE IV COMPLEXED WITH BRINZOLAMIDE | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE IV, ZINC ION | Authors: | Stams, T, Chen, Y, Christianson, D.W. | Deposit date: | 1998-02-10 | Release date: | 1999-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
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4HLC
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![BU of 4hlc by Molmil](/molmil-images/mine/4hlc) | Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 5 | Descriptor: | 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid, Thymidylate kinase | Authors: | Boriack-Sjodin, A, Olivier, N. | Deposit date: | 2012-10-16 | Release date: | 2012-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK). Bioorg.Med.Chem.Lett., 23, 2013
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4KY1
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![BU of 4ky1 by Molmil](/molmil-images/mine/4ky1) | humanized HP1/2 Fab | Descriptor: | IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, LIGHT CHAIN | Authors: | Arndt, J.W, Hanf, K.J.M, Lugovskoy, A, Chen, L.L, Jarpe, M, Boriack-Sjodin, A, Li, Y, van Vlijmen, H, Pepinsky, B, Taylor, F, Silvian, L, Taveras, A. | Deposit date: | 2013-05-28 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework. METHODS (SAN DIEGO), 65, 2014
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4LPB
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![BU of 4lpb by Molmil](/molmil-images/mine/4lpb) | Crystal structure of a topoisomerase ATPase inhibitor | Descriptor: | 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea, Topoisomerase IV subunit B | Authors: | Boriack-Sjodin, A. | Deposit date: | 2013-07-15 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents. J.Med.Chem., 56, 2013
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2ZNC
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![BU of 2znc by Molmil](/molmil-images/mine/2znc) | MURINE CARBONIC ANHYDRASE IV | Descriptor: | CARBONIC ANHYDRASE IV, ZINC ION | Authors: | Stams, T, Chen, Y, Christianson, D.W. | Deposit date: | 1998-02-10 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
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3BQN
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![BU of 3bqn by Molmil](/molmil-images/mine/3bqn) | LFA-1 I domain bound to inhibitors | Descriptor: | 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine, Integrin alpha-L | Authors: | Silvian, L.F. | Deposit date: | 2007-12-20 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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4GFD
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![BU of 4gfd by Molmil](/molmil-images/mine/4gfd) | Thymidylate kinase (TMK) from S. Aureus in complex with TK-666 | Descriptor: | 2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase | Authors: | Olivier, N.B, Martinez-Botella, G, Keating, T. | Deposit date: | 2012-08-03 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | In Vivo Validation of Thymidylate Kinase (TMK) with a Rationally Designed, Selective Antibacterial Compound. Acs Chem.Biol., 7, 2012
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4HRA
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![BU of 4hra by Molmil](/molmil-images/mine/4hra) | Crystal Structure of DOT1L in Complex with EPZ-5676 | Descriptor: | 5'-[{cis-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Jin, L. | Deposit date: | 2012-10-26 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Potent inhibition of DOT1L as treatment of MLL-fusion leukemia. Blood, 122, 2013
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4HLD
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![BU of 4hld by Molmil](/molmil-images/mine/4hld) | |
4MB9
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![BU of 4mb9 by Molmil](/molmil-images/mine/4mb9) | Structure of Streptococcus pneumonia ParE in complex with AZ13102335 | Descriptor: | 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ... | Authors: | Ogg, D, Tucker, J. | Deposit date: | 2013-08-19 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
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4MBC
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![BU of 4mbc by Molmil](/molmil-images/mine/4mbc) | Structure of Streptococcus pneumonia ParE in complex with AZ13053807 | Descriptor: | 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit | Authors: | Ogg, D, Tucker, J. | Deposit date: | 2013-08-19 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
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3CAJ
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![BU of 3caj by Molmil](/molmil-images/mine/3caj) | Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ... | Authors: | Di Fiore, A, De Simone, G. | Deposit date: | 2008-02-20 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3E2M
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![BU of 3e2m by Molmil](/molmil-images/mine/3e2m) | LFA-1 I domain bound to inhibitors | Descriptor: | Integrin alpha-L, cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid | Authors: | Silvian, L.F. | Deposit date: | 2008-08-05 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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4E1K
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![BU of 4e1k by Molmil](/molmil-images/mine/4e1k) | GlmU in complex with a Quinazoline Compound | Descriptor: | Bifunctional protein GlmU, N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, SULFATE ION, ... | Authors: | Larsen, N.A, Doig, P. | Deposit date: | 2012-03-06 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An aminoquinazoline inhibitor of the essential bacterial cell wall synthetic enzyme GlmU has a unique non-protein-kinase-like binding mode. Biochem.J., 446, 2012
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1KEQ
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![BU of 1keq by Molmil](/molmil-images/mine/1keq) | Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with 4-chloromethylimidazole | Descriptor: | 4-METHYLIMIDAZOLE, ACETIC ACID, F65A/Y131C-MI Carbonic Anhydrase V, ... | Authors: | Jude, K.M, Wright, S.K, Tu, C, Silverman, D.N, Viola, R.E, Christianson, D.W. | Deposit date: | 2001-11-16 | Release date: | 2002-03-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle. Biochemistry, 41, 2002
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