4MAH
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![BU of 4mah by Molmil](/molmil-images/mine/4mah) | Structure of Aspergillus oryzae AA11 Lytic Polysaccharide Monooxygenase with Zn | Descriptor: | 1,2-ETHANEDIOL, AA11 Lytic Polysaccharide Monooxygenase, CHLORIDE ION, ... | Authors: | Hemsworth, G.R, Henrissat, B, Walton, P.H, Davies, G.J. | Deposit date: | 2013-08-16 | Release date: | 2013-12-18 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and characterization of a new family of lytic polysaccharide monooxygenases. Nat.Chem.Biol., 10, 2014
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4CO7
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![BU of 4co7 by Molmil](/molmil-images/mine/4co7) | Crystal structure of human GATE-16 | Descriptor: | GAMMA-AMINOBUTYRIC ACID RECEPTOR-ASSOCIATED PROTEIN-LIKE 2 | Authors: | Weiergraeber, O.H, Ma, P, Willbold, D. | Deposit date: | 2014-01-27 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Polymorphism in Autophagy-Related Protein Gate-16. Biochemistry, 54, 2015
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7ECT
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![BU of 7ect by Molmil](/molmil-images/mine/7ect) | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Tartrate and NADPH | Descriptor: | GLYCEROL, Glutamate dehydrogenase, L(+)-TARTARIC ACID, ... | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | Deposit date: | 2021-03-13 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites. Proteins, 90, 2022
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7ECR
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![BU of 7ecr by Molmil](/molmil-images/mine/7ecr) | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Succinate and ADP-ribose | Descriptor: | GLYCEROL, Glutamate dehydrogenase, SUCCINIC ACID, ... | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | Deposit date: | 2021-03-13 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites. Proteins, 90, 2022
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7ECS
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![BU of 7ecs by Molmil](/molmil-images/mine/7ecs) | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Malonate and NADPH | Descriptor: | GLYCEROL, Glutamate dehydrogenase, MALONATE ION, ... | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | Deposit date: | 2021-03-13 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites. Proteins, 90, 2022
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4KVD
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![BU of 4kvd by Molmil](/molmil-images/mine/4kvd) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium | Descriptor: | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-22 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4KWD
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![BU of 4kwd by Molmil](/molmil-images/mine/4kwd) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-23 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4KVY
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![BU of 4kvy by Molmil](/molmil-images/mine/4kvy) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-23 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4KUX
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![BU of 4kux by Molmil](/molmil-images/mine/4kux) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP) | Descriptor: | Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-22 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4KVI
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![BU of 4kvi by Molmil](/molmil-images/mine/4kvi) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium | Descriptor: | (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium, Aristolochene synthase, MAGNESIUM ION, ... | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-22 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4KVW
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![BU of 4kvw by Molmil](/molmil-images/mine/4kvw) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (3R,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-23 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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4IBQ
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![BU of 4ibq by Molmil](/molmil-images/mine/4ibq) | Human p53 core domain with hot spot mutation R273C | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ... | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | Deposit date: | 2012-12-09 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions. Nucleic Acids Res., 41, 2013
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4IBS
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![BU of 4ibs by Molmil](/molmil-images/mine/4ibs) | Human p53 core domain with hot spot mutation R273H (form I) | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | Deposit date: | 2012-12-09 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions. Nucleic Acids Res., 41, 2013
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4IJT
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![BU of 4ijt by Molmil](/molmil-images/mine/4ijt) | Human p53 core domain with hot spot mutation R273H (form II) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cellular tumor antigen p53, ... | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | Deposit date: | 2012-12-23 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions. Nucleic Acids Res., 41, 2013
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4D86
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![BU of 4d86 by Molmil](/molmil-images/mine/4d86) | Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-01-10 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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4DPF
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![BU of 4dpf by Molmil](/molmil-images/mine/4dpf) | BACE-1 in complex with a HEA-macrocyclic type inhibitor | Descriptor: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | Deposit date: | 2012-02-13 | Release date: | 2012-07-11 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
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4J5R
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![BU of 4j5r by Molmil](/molmil-images/mine/4j5r) | TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 bound to ADP-HPD | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, CHLORIDE ION, ... | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
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4DPI
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![BU of 4dpi by Molmil](/molmil-images/mine/4dpi) | BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | Descriptor: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | Deposit date: | 2012-02-13 | Release date: | 2012-07-11 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
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4J5S
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![BU of 4j5s by Molmil](/molmil-images/mine/4j5s) | TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 ADP-ribose complex | Descriptor: | 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, BORATE ION, ... | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
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4GV0
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![BU of 4gv0 by Molmil](/molmil-images/mine/4gv0) | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0355 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2012-08-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
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4F1L
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![BU of 4f1l by Molmil](/molmil-images/mine/4f1l) | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z) | Descriptor: | (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | Deposit date: | 2012-05-07 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening. J.Med.Chem., 55, 2012
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4F1Q
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![BU of 4f1q by Molmil](/molmil-images/mine/4f1q) | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E) | Descriptor: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | Deposit date: | 2012-05-07 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening. J.Med.Chem., 55, 2012
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4J5Q
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![BU of 4j5q by Molmil](/molmil-images/mine/4j5q) | TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1, apo structure | Descriptor: | O-acetyl-ADP-ribose deacetylase 1 | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
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4DTK
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![BU of 4dtk by Molmil](/molmil-images/mine/4dtk) | Novel and selective pan-PIM kinase inhibitor | Descriptor: | (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2012-02-21 | Release date: | 2012-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases. Bioorg.Med.Chem.Lett., 22, 2012
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4GV7
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![BU of 4gv7 by Molmil](/molmil-images/mine/4gv7) | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328 | Descriptor: | 2-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 1 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2012-08-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
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