3UL4
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![BU of 3ul4 by Molmil](/molmil-images/mine/3ul4) | Crystal structure of Coh-OlpA(Cthe_3080)-Doc918(Cthe_0918) complex: A novel type I Cohesin-Dockerin complex from Clostridium thermocellum ATTC 27405 | Descriptor: | CALCIUM ION, Cellulosome enzyme, dockerin type I, ... | Authors: | Alves, V.D, Carvalho, A.L, Najmudin, S.H, Bras, J, Prates, J.A.M, Fontes, C.M.G.A. | Deposit date: | 2011-11-10 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Clostridium thermocellum Type I Cohesin-Dockerin Complexes Reveal a Single Binding Mode. J.Biol.Chem., 287, 2012
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3UN0
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![BU of 3un0 by Molmil](/molmil-images/mine/3un0) | Crystal Structure of MDC1 FHA Domain | Descriptor: | Mediator of DNA damage checkpoint protein 1, SULFATE ION | Authors: | Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. | Deposit date: | 2011-11-15 | Release date: | 2011-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator. Nucleic Acids Res., 40, 2012
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1I72
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![BU of 1i72 by Molmil](/molmil-images/mine/1i72) | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE | Descriptor: | 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-07 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
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1I7C
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![BU of 1i7c by Molmil](/molmil-images/mine/1i7c) | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) | Descriptor: | 1,4-DIAMINOBUTANE, METHYLGLYOXAL BIS-(GUANYLHYDRAZONE), S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-08 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
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1I7M
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![BU of 1i7m by Molmil](/molmil-images/mine/1i7m) | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE | Descriptor: | 1,4-DIAMINOBUTANE, 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-09 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
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3UPI
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![BU of 3upi by Molmil](/molmil-images/mine/3upi) | Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors | Descriptor: | (3S)-6-(2,5-difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G. | Deposit date: | 2011-11-18 | Release date: | 2012-01-25 | Last modified: | 2012-02-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors. Org.Lett., 14, 2012
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1Y7M
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![BU of 1y7m by Molmil](/molmil-images/mine/1y7m) | Crystal Structure of the B. subtilis YkuD protein at 2 A resolution | Descriptor: | CADMIUM ION, SULFATE ION, hypothetical protein BSU14040 | Authors: | Bielnicki, J.A, Devedjiev, Y, Derewenda, U, Dauter, Z, Joachimiak, A, Derewenda, Z.S, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-12-09 | Release date: | 2005-03-01 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | B. subtilis ykuD protein at 2.0 A resolution: insights into the structure and function of a novel, ubiquitous family of bacterial enzymes. Proteins, 62, 2006
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7MPD
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![BU of 7mpd by Molmil](/molmil-images/mine/7mpd) | Structure of SsoPTP bound to 2-chloroethylsulfonate | Descriptor: | 2-chloroethane-1-sulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SsoPTP | Authors: | Pinkston, J.A, Olsen, K.J, Hengge, A.C, Johnson, S.J. | Deposit date: | 2021-05-04 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Significant Loop Motions in the SsoPTP Protein Tyrosine Phosphatase Allow for Dual General Acid Functionality. Biochemistry, 60, 2021
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7MPC
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![BU of 7mpc by Molmil](/molmil-images/mine/7mpc) | Structure of SsoPTP bound to vanadate | Descriptor: | SsoPTP, VANADATE ION | Authors: | Pinkston, J.A, Olsen, K.J, Hengge, A.C, Johnson, S.J. | Deposit date: | 2021-05-04 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Significant Loop Motions in the SsoPTP Protein Tyrosine Phosphatase Allow for Dual General Acid Functionality. Biochemistry, 60, 2021
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3V1P
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![BU of 3v1p by Molmil](/molmil-images/mine/3v1p) | Crystal structure of the mutant Q185A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-12-09 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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1F4D
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![BU of 1f4d by Molmil](/molmil-images/mine/1f4d) | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE C146S, L143C COVALENTLY MODIFIED AT C143 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | Descriptor: | GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ... | Authors: | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | Deposit date: | 2000-06-07 | Release date: | 2000-06-22 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Site-directed ligand discovery. Proc.Natl.Acad.Sci.USA, 97, 2000
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1EZX
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![BU of 1ezx by Molmil](/molmil-images/mine/1ezx) | |
3GZG
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![BU of 3gzg by Molmil](/molmil-images/mine/3gzg) | |
1GML
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![BU of 1gml by Molmil](/molmil-images/mine/1gml) | crystal structure of the mouse CCT gamma apical domain (triclinic) | Descriptor: | GLYCEROL, T-COMPLEX PROTEIN 1 SUBUNIT GAMMA | Authors: | Pappenberger, G, Wilsher, J.A, Roe, S.M, Willison, K.R, Pearl, L.H. | Deposit date: | 2001-09-17 | Release date: | 2002-06-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Cct Gamma Apical Domain:: Implications for Substrate Binding to the Eukaryotic Cytosolic Chaperonin J.Mol.Biol., 318, 2002
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1GM9
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![BU of 1gm9 by Molmil](/molmil-images/mine/1gm9) | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~-THIA-1-AZABICYCLO[3.2.0]HEPT-6-YL]-2-PHENYLAC ETAMIDE, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-09-12 | Release date: | 2001-11-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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1GN1
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![BU of 1gn1 by Molmil](/molmil-images/mine/1gn1) | crystal structure of the mouse CCT gamma apical domain (monoclinic) | Descriptor: | CALCIUM ION, CCT-GAMMA | Authors: | Pappenberger, G, Wilsher, J.A, Roe, S.M, Willison, K.R, Pearl, L.H. | Deposit date: | 2001-10-01 | Release date: | 2002-06-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Cct Gamma Apical Domain:: Implications for Substrate Binding to the Eukaryotic Cytosolic Chaperonin J.Mol.Biol., 318, 2002
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3S9V
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![BU of 3s9v by Molmil](/molmil-images/mine/3s9v) | abietadiene synthase from Abies grandis | Descriptor: | Abietadiene synthase, chloroplastic | Authors: | Zhou, K, Hoy, J.A, Mann, F.M, Honzatko, R.B, Peters, R.J. | Deposit date: | 2011-06-02 | Release date: | 2012-01-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into diterpene cyclization from structure of bifunctional abietadiene synthase from Abies grandis. J.Biol.Chem., 287, 2012
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3SED
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![BU of 3sed by Molmil](/molmil-images/mine/3sed) | Crystal Structure of Ketosteroid Isomerase Variant M105A from Pseudomonos putida | Descriptor: | Steroid Delta-isomerase | Authors: | Somarowthu, S, Brodkin, H.R, D'Aquino, J.A, Ringe, D, Ondrechen, M.J, Beuning, P.J. | Deposit date: | 2011-06-10 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | A tale of two isomerases: compact versus extended active sites in ketosteroid isomerase and phosphoglucose isomerase. Biochemistry, 50, 2011
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4Z6I
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![BU of 4z6i by Molmil](/molmil-images/mine/4z6i) | Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand | Descriptor: | Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-04-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. Angew.Chem.Int.Ed.Engl., 54, 2015
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6BB7
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![BU of 6bb7 by Molmil](/molmil-images/mine/6bb7) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methyl-1,2-dihydropyridin-2-one | Descriptor: | 3-methylpyridin-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-10-17 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methylpyridin-1-ium-2-olate To Be Published
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6BHB
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![BU of 6bhb by Molmil](/molmil-images/mine/6bhb) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-aminopyrimidin-5-ol | Descriptor: | 2-aminopyrimidin-5-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-10-30 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-aminopyrimidin-5-ol To Be Published
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3UAR
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![BU of 3uar by Molmil](/molmil-images/mine/3uar) | Crystal structure of glutathione transferase (TARGET EFI-501774) from methylococcus capsulatus str. bath with gsh bound | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione S-transferase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-10-21 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Glutathione S-Transferase from Methylococcus Capsulatus To be Published
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3UBL
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![BU of 3ubl by Molmil](/molmil-images/mine/3ubl) | Crystal structure of glutathione transferase (TARGET EFI-501770) from leptospira interrogans with gsh bound | Descriptor: | CHLORIDE ION, GLUTATHIONE, GLYCEROL, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-10-24 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Glutathione S-Transferase from Leptospira Interrogans To be Published
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3TWF
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![BU of 3twf by Molmil](/molmil-images/mine/3twf) | Crystal structure of the de novo designed fluorinated peptide alpha4F3a | Descriptor: | ACETYL GROUP, SODIUM ION, TRIETHYLENE GLYCOL, ... | Authors: | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2011-09-21 | Release date: | 2012-03-14 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural basis for the enhanced stability of highly fluorinated proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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6BIF
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![BU of 6bif by Molmil](/molmil-images/mine/6bif) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1-(4-amino-2-hydroxyphenyl)ethan-1-one | Descriptor: | 1-(4-amino-2-hydroxyphenyl)ethan-1-one, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-11-01 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1-(4-amino-2-hydroxyphenyl)ethan-1-one To Be Published
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