8PGE
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![BU of 8pge by Molmil](/molmil-images/mine/8pge) | Crystal structure of the metallo-beta-lactamase VIM1 with 2936 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2936 To Be Published
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8PGF
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![BU of 8pgf by Molmil](/molmil-images/mine/8pgf) | Crystal structure of the metallo-beta-lactamase VIM1 with 2941 | Descriptor: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2941 To Be Published
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8PGL
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![BU of 8pgl by Molmil](/molmil-images/mine/8pgl) | Crystal structure of the metallo-beta-lactamase VIM1 with 3027 | Descriptor: | 7-[(1~{S})-1-[5-(carbamimidamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3027 To Be Published
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8PGT
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![BU of 8pgt by Molmil](/molmil-images/mine/8pgt) | Crystal structure of the metallo-beta-lactamase VIM1 with 3393 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3393 To Be Published
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8PGQ
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![BU of 8pgq by Molmil](/molmil-images/mine/8pgq) | Crystal structure of the metallo-beta-lactamase VIM1 with 3225 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3225 To Be Published
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8PH1
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![BU of 8ph1 by Molmil](/molmil-images/mine/8ph1) | Crystal structure of the metallo-beta-lactamase VIM1 with 3708 | Descriptor: | 7-[(1~{S})-1-[(5~{R})-5-[(2~{R})-3-azanyl-2-methyl-propyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3708 To Be Published
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8PGI
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![BU of 8pgi by Molmil](/molmil-images/mine/8pgi) | Crystal structure of the metallo-beta-lactamase VIM1 with 2984 | Descriptor: | 7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2984 To Be Published
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8PGJ
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![BU of 8pgj by Molmil](/molmil-images/mine/8pgj) | Crystal structure of the metallo-beta-lactamase VIM1 with 2985 | Descriptor: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2985 To Be Published
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8PH0
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![BU of 8ph0 by Molmil](/molmil-images/mine/8ph0) | Crystal structure of the metallo-beta-lactamase VIM1 with 3637 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3637 To Be Published
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8PG5
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![BU of 8pg5 by Molmil](/molmil-images/mine/8pg5) | Crystal structure of the metallo-beta-lactamase VIM1 with 2731 | Descriptor: | 3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(piperidin-4-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2731 To Be Published
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8PG7
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![BU of 8pg7 by Molmil](/molmil-images/mine/8pg7) | Crystal structure of the metallo-beta-lactamase VIM1 with 2755 | Descriptor: | 7-[(1~{S})-1-[3-(4-azanylbutyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2755 To Be Published
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8PGW
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![BU of 8pgw by Molmil](/molmil-images/mine/8pgw) | Crystal structure of the metallo-beta-lactamase VIM1 with 3460 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-methoxy-6-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3460 To Be Published
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2KZD
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![BU of 2kzd by Molmil](/molmil-images/mine/2kzd) | Structure of a (3+1) G-quadruplex formed by hTERT promoter sequence | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*IP*AP*GP*GP*GP*GP*CP*TP*GP*GP*GP*AP*GP*GP*GP*C)-3') | Authors: | Lim, K.W, Lacroix, L, Yue, D.J.E, Lim, J.K.C, Lim, J.M.W, Phan, A.T. | Deposit date: | 2010-06-16 | Release date: | 2010-10-06 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Coexistence of two distinct G-quadruplex conformations in the hTERT promoter J.Am.Chem.Soc., 132, 2010
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2KZE
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![BU of 2kze by Molmil](/molmil-images/mine/2kze) | Structure of an all-parallel-stranded G-quadruplex formed by hTERT promoter sequence | Descriptor: | DNA (5'-D(*AP*IP*GP*GP*GP*AP*GP*GP*GP*IP*CP*TP*GP*GP*GP*AP*GP*GP*GP*C)-3') | Authors: | Lim, K.W, Lacroix, L, Yue, D.J.E, Lim, J.K.C, Lim, J.M.W, Phan, A.T. | Deposit date: | 2010-06-16 | Release date: | 2010-10-06 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Coexistence of two distinct G-quadruplex conformations in the hTERT promoter J.Am.Chem.Soc., 132, 2010
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2MN3
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![BU of 2mn3 by Molmil](/molmil-images/mine/2mn3) | Structure of Platypus 'Intermediate' Defensin-like Peptide (Int-DLP) | Descriptor: | Defensin-BvL | Authors: | Torres, A.M, Bansal, P.S, Koh, J.M.S, Pages, G, Wu, M.J, Kuchel, P.W. | Deposit date: | 2014-03-27 | Release date: | 2014-09-17 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure and antimicrobial activity of platypus 'intermediate' defensin-like peptide. Febs Lett., 588, 2014
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3FZW
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![BU of 3fzw by Molmil](/molmil-images/mine/3fzw) | Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin | Descriptor: | EQUILENIN, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Caaveiro, J.M.M, Ringe, D, Petsko, G.A. | Deposit date: | 2009-01-26 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Hydrogen bond coupling in the ketosteroid isomerase active site. Biochemistry, 48, 2009
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4FA3
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![BU of 4fa3 by Molmil](/molmil-images/mine/4fa3) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86) | Descriptor: | (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | Deposit date: | 2012-05-21 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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4FAL
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![BU of 4fal by Molmil](/molmil-images/mine/4fal) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ... | Authors: | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | Deposit date: | 2012-05-22 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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2BZA
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![BU of 2bza by Molmil](/molmil-images/mine/2bza) | BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZYLAMINE | Descriptor: | BENZYLAMINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T. | Deposit date: | 1999-03-16 | Release date: | 1999-03-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine. Proteins, 37, 1999
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2JOL
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![BU of 2jol by Molmil](/molmil-images/mine/2jol) | Average NMR structure of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei | Descriptor: | Putative G-nucleotide exchange factor | Authors: | Wu, H, Upadhyay, A, Williams, C, Galyov, E.E, van den Elsen, J.M.H, Bagby, S. | Deposit date: | 2007-03-14 | Release date: | 2007-03-27 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | The guanine-nucleotide-exchange factor BopE from Burkholderia pseudomallei adopts a compact version of the Salmonella SopE/SopE2 fold and undergoes a closed-to-open conformational change upon interaction with Cdc42 Biochem.J., 411, 2008
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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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2JVG
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![BU of 2jvg by Molmil](/molmil-images/mine/2jvg) | Structure of C3-binding domain 4 of Staphylococcus aureus protein Sbi | Descriptor: | IgG-binding protein SBI | Authors: | Upadhyay, A, Burman, J, Clark, E.A, van den Elsen, J.M.H, Bagby, S. | Deposit date: | 2007-09-20 | Release date: | 2008-06-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of the C3 binding region of Staphylococcus aureus immune subversion protein Sbi. J.Biol.Chem., 283, 2008
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2JOK
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![BU of 2jok by Molmil](/molmil-images/mine/2jok) | NMR structure of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei | Descriptor: | Putative G-nucleotide exchange factor | Authors: | Wu, H, Upadhyay, A, Williams, C, Galyov, E.E, van den Elsen, J.M.H, Bagby, S. | Deposit date: | 2007-03-14 | Release date: | 2007-09-18 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | The guanine-nucleotide-exchange factor BopE from Burkholderia pseudomallei adopts a compact version of the Salmonella SopE/SopE2 fold and undergoes a closed-to-open conformational change upon interaction with Cdc42 Biochem.J., 411, 2008
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2JVH
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![BU of 2jvh by Molmil](/molmil-images/mine/2jvh) | Structure of C3-binding domain 4 of S. aureus protein Sbi | Descriptor: | IgG-binding protein SBI | Authors: | Upadhyay, A, Burman, J, Clark, E.A, van den Elsen, J.M.H, Bagby, S. | Deposit date: | 2007-09-20 | Release date: | 2008-06-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of the C3 binding region of Staphylococcus aureus immune subversion protein Sbi. J.Biol.Chem., 283, 2008
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8QN0
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![BU of 8qn0 by Molmil](/molmil-images/mine/8qn0) | Soluble epoxide hydrolase in complex with RK3 | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-25 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes. Science, 383, 2024
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