2N2C
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![BU of 2n2c by Molmil](/molmil-images/mine/2n2c) | NMR Structure of TDP-43 prion-like hydrophobic helix in DPC | Descriptor: | TAR DNA-binding protein 43 | Authors: | Lim, L, Song, J. | Deposit date: | 2015-05-06 | Release date: | 2015-12-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | ALS-causing mutations significantly perturb the self-assembly and interaction with nucleic acid of the intrinsically-disordered prion-like domain of TDP-43 To be Published
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2NAM
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![BU of 2nam by Molmil](/molmil-images/mine/2nam) | Full-length WT SOD1 in DPC MICELLE | Descriptor: | Superoxide dismutase [Cu-Zn] | Authors: | Lim, L, Song, J. | Deposit date: | 2016-01-06 | Release date: | 2016-12-14 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | SALS-linked WT-SOD1 adopts a highly similar helical conformation as FALS-causing L126Z-SOD1 in a membrane environment Biochim.Biophys.Acta, 1858, 2016
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2MP3
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![BU of 2mp3 by Molmil](/molmil-images/mine/2mp3) | Truncated L126Z-sod1 in DPC micelle | Descriptor: | Superoxide dismutase [Cu-Zn] | Authors: | Lim, L, Song, J. | Deposit date: | 2014-05-10 | Release date: | 2015-05-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mechanism for transforming cytosolic SOD1 into integral membrane proteins of organelles by ALS-causing mutations Biochim.Biophys.Acta, 1848, 2015
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2I0K
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8ESI
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![BU of 8esi by Molmil](/molmil-images/mine/8esi) | Bile Salt Hydrolase from B. longum with covalent inhibitor bound | Descriptor: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name), Conjugated bile acid hydrolase | Authors: | Walker, M.E, Lim, L, Redinbo, M.R. | Deposit date: | 2022-10-14 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity To Be Published
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1BF4
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![BU of 1bf4 by Molmil](/molmil-images/mine/1bf4) | CHROMOSOMAL DNA-BINDING PROTEIN SSO7D/D(GCGAACGC) COMPLEX | Descriptor: | DNA (5'-D(*GP*CP*GP*AP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*TP*5IUP*CP*GP*C)-3'), PROTEIN (CHROMOSOMAL PROTEIN SSO7D) | Authors: | Su, S, Gao, Y.-G, Robinson, H, Padmanabhan, S, Lim, L, Shriver, J.W, Wang, A.H.-J. | Deposit date: | 1998-05-27 | Release date: | 1999-11-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of the hyperthermophile chromosomal protein Sso7d bound to DNA. Nat.Struct.Biol., 5, 1998
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1BNZ
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![BU of 1bnz by Molmil](/molmil-images/mine/1bnz) | SSO7D HYPERTHERMOPHILE PROTEIN/DNA COMPLEX | Descriptor: | 5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3', DNA-BINDING PROTEIN 7A | Authors: | Gao, Y.-G, Su, S.-Y, Robinson, H, Padmanabhan, S, Lim, L, Mccrary, B.S, Edmondos, S.P, Shrive, J.W, Wang, A.H.-J. | Deposit date: | 1998-07-31 | Release date: | 1998-11-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of the hyperthermophile chromosomal protein Sso7d bound to DNA. Nat.Struct.Biol., 5, 1998
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1CF4
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![BU of 1cf4 by Molmil](/molmil-images/mine/1cf4) | CDC42/ACK GTPASE-BINDING DOMAIN COMPLEX | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PROTEIN (ACTIVATED P21CDC42HS KINASE), ... | Authors: | Mott, H.R, Owen, D, Nietlispach, D, Lowe, P.N, Lim, L, Laue, E.D. | Deposit date: | 1999-03-23 | Release date: | 1999-06-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure of the small G protein Cdc42 bound to the GTPase-binding domain of ACK. Nature, 399, 1999
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2MDK
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2MBE
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4I5M
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![BU of 4i5m by Molmil](/molmil-images/mine/4i5m) | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | Authors: | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | Deposit date: | 2012-11-28 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | Deposit date: | 2011-05-03 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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3PTG
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![BU of 3ptg by Molmil](/molmil-images/mine/3ptg) | Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. | Deposit date: | 2010-12-02 | Release date: | 2011-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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6D7J
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2Z2S
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6U7J
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![BU of 6u7j by Molmil](/molmil-images/mine/6u7j) | Uncultured Clostridium sp. Beta-glucuronidase | Descriptor: | Beta-glucuronidase, CALCIUM ION | Authors: | Ervin, S.M, Redinbo, M.R. | Deposit date: | 2019-09-03 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens. J.Biol.Chem., 294, 2019
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6U7I
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![BU of 6u7i by Molmil](/molmil-images/mine/6u7i) | Faecalibacterium prausnitzii Beta-glucuronidase | Descriptor: | Beta-glucuronidase | Authors: | Ervin, S.M, Redinbo, M.R. | Deposit date: | 2019-09-03 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens. J.Biol.Chem., 294, 2019
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6USS
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6UST
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![BU of 6ust by Molmil](/molmil-images/mine/6ust) | Gut microbial sulfatase from Hungatella hathewayi | Descriptor: | CALCIUM ION, N-acetylgalactosamine 6-sulfate sulfatase | Authors: | Ervin, S.M, Redinbo, M.R. | Deposit date: | 2019-10-28 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights into Endobiotic Reactivation by Human Gut Microbiome-Encoded Sulfatases. Biochemistry, 59, 2020
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4L67
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![BU of 4l67 by Molmil](/molmil-images/mine/4l67) | Crystal Structure of Catalytic Domain of PAK4 | Descriptor: | Serine/threonine-protein kinase PAK 4 | Authors: | Wang, W, Song, J. | Deposit date: | 2013-06-12 | Release date: | 2013-08-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | NMR binding and crystal structure reveal that intrinsically-unstructured regulatory domain auto-inhibits PAK4 by a mechanism different for that of PAK1 Biochem.Biophys.Res.Commun., 438, 2013
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2Q1Z
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1CA5
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![BU of 1ca5 by Molmil](/molmil-images/mine/1ca5) | INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA | Descriptor: | 5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3', CHROMOSOMAL PROTEIN SAC7D | Authors: | Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J. | Deposit date: | 1999-02-23 | Release date: | 2000-02-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs J.Mol.Biol., 303, 2000
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1CA6
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![BU of 1ca6 by Molmil](/molmil-images/mine/1ca6) | INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA | Descriptor: | 5'-D(*GP*TP*GP*AP*TP*CP*GP*C)-3', CHROMOSOMAL PROTEIN SAC7D | Authors: | Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J. | Deposit date: | 1999-02-23 | Release date: | 2000-02-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs J.Mol.Biol., 303, 2000
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2LW8
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8EA8
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![BU of 8ea8 by Molmil](/molmil-images/mine/8ea8) | NKG2D complexed with inhibitor 4a | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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