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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6H39
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6CW8
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![BU of 6cw8 by Molmil](/molmil-images/mine/6cw8) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5 | Descriptor: | 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2018-03-30 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor. J. Med. Chem., 61, 2018
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4XQA
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![BU of 4xqa by Molmil](/molmil-images/mine/4xqa) | CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0462 | Descriptor: | (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ... | Authors: | Stehle, T, Liaci, A.M. | Deposit date: | 2015-01-19 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4072 Å) | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells. Org.Biomol.Chem., 13, 2015
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4XQB
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![BU of 4xqb by Molmil](/molmil-images/mine/4xqb) | CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0461 | Descriptor: | 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ... | Authors: | Stehle, T, Liaci, A.M. | Deposit date: | 2015-01-19 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.597 Å) | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells. Org.Biomol.Chem., 13, 2015
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8A3O
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![BU of 8a3o by Molmil](/molmil-images/mine/8a3o) | Structure of human Fy-4 | Descriptor: | Quinone oxidoreductase-like protein 1 | Authors: | Schuhmacher, J.S, Zerial, M. | Deposit date: | 2022-06-08 | Release date: | 2022-06-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of mRNA binding by the human FERRY Rab5 effector complex. Mol.Cell, 83, 2023
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8A3P
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![BU of 8a3p by Molmil](/molmil-images/mine/8a3p) | Structure of human Fy-5. | Descriptor: | Glutamine amidotransferase-like class 1 domain-containing protein 1 | Authors: | Schuhmacher, J.S, Zerial, M. | Deposit date: | 2022-06-08 | Release date: | 2022-06-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of mRNA binding by the human FERRY Rab5 effector complex. Mol.Cell, 83, 2023
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7ND2
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![BU of 7nd2 by Molmil](/molmil-images/mine/7nd2) | Cryo-EM structure of the human FERRY complex | Descriptor: | Glutamine amidotransferase-like class 1 domain-containing protein 1, Protein phosphatase 1 regulatory subunit 21, Quinone oxidoreductase-like protein 1 | Authors: | Quentin, D, Klink, B.U, Raunser, S. | Deposit date: | 2021-01-29 | Release date: | 2022-03-02 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of mRNA binding by the human FERRY Rab5 effector complex. Mol.Cell, 83, 2023
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5L3W
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![BU of 5l3w by Molmil](/molmil-images/mine/5l3w) | Structure of the crenarchaeal FtsY GTPase bound to GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, Signal recognition particle receptor FtsY | Authors: | Bange, G, Wild, K, Sinning, I. | Deposit date: | 2016-05-24 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex. J.Mol.Biol., 428, 2016
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5L3Q
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![BU of 5l3q by Molmil](/molmil-images/mine/5l3q) | Structure of the GTPase heterodimer of human SRP54 and SRalpha | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Wild, K, Segnitz, B, Sinning, I. | Deposit date: | 2016-05-24 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex. J.Mol.Biol., 428, 2016
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5L3S
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![BU of 5l3s by Molmil](/molmil-images/mine/5l3s) | Structure of the GTPase heterodimer of crenarchaeal SRP54 and FtsY | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Bange, G, Wild, K, Sinning, I. | Deposit date: | 2016-05-24 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex. J.Mol.Biol., 428, 2016
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5L3V
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![BU of 5l3v by Molmil](/molmil-images/mine/5l3v) | Structure of the crenarchaeal SRP54 GTPase bound to GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, Signal recognition particle 54 kDa protein | Authors: | Bange, G, Wild, K, Sinning, I. | Deposit date: | 2016-05-24 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex. J.Mol.Biol., 428, 2016
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5TOL
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![BU of 5tol by Molmil](/molmil-images/mine/5tol) | CRYSTAL STRUCTURE OF BETA-SITE APP-CLEAVING ENZYME 1 COMPLEXED WITH N-(3-((4AS,7AS)-2-AMINO-4,4A,5,6-TETRAHYDRO-7AH-FURO[2,3-D][1,3]THIAZIN-7A-YL)-4-FLUOROPHENYL)-5-BROMO-2-PYRIDINECARBOXAMIDE | Descriptor: | Beta-secretase 1, N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide | Authors: | Muckelbauer, J.K. | Deposit date: | 2016-10-18 | Release date: | 2016-11-23 | Last modified: | 2016-12-07 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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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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6EZD
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2OZL
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![BU of 2ozl by Molmil](/molmil-images/mine/2ozl) | Human pyruvate dehydrogenase S264E variant | Descriptor: | MAGNESIUM ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component alpha subunit, ... | Authors: | Ciszak, E.M, Dominiak, P.M, Patel, M.S, Korotchkina, L.G. | Deposit date: | 2007-02-26 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phosphorylation of Serine 264 Impedes Active Site Accessibility in the E1 Component of the Human Pyruvate Dehydrogenase Multienzyme Complex Biochemistry, 46, 2007
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2NTI
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![BU of 2nti by Molmil](/molmil-images/mine/2nti) | Crystal structure of PCNA123 heterotrimer. | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, BROMIDE ION, DNA polymerase sliding clamp A, ... | Authors: | Hlinkova, V, Ling, H. | Deposit date: | 2006-11-07 | Release date: | 2007-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of monomeric, dimeric and trimeric PCNA: PCNA-ring assembly and opening. Acta Crystallogr.,Sect.D, 64, 2008
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2M97
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![BU of 2m97 by Molmil](/molmil-images/mine/2m97) | |
2IJX
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6GEL
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![BU of 6gel by Molmil](/molmil-images/mine/6gel) | The structure of TWITCH-2B | Descriptor: | CALCIUM ION, FORMIC ACID, GLYCEROL, ... | Authors: | Trigo Mourino, P, Paulat, M, Thestrup, T, Griesbeck, O, Griesinger, C, Becker, S. | Deposit date: | 2018-04-26 | Release date: | 2019-08-21 | Last modified: | 2019-09-11 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Dynamic tuning of FRET in a green fluorescent protein biosensor. Sci Adv, 5, 2019
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6GEZ
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![BU of 6gez by Molmil](/molmil-images/mine/6gez) | THE STRUCTURE OF TWITCH-2B N532F | Descriptor: | CALCIUM ION, FORMIC ACID, Green fluorescent protein,Optimized Ratiometric Calcium Sensor,Green fluorescent protein,Green fluorescent protein | Authors: | Trigo Mourino, P, Paulat, M, Thestrup, T, Griesbeck, O, Griesinger, C, Becker, S. | Deposit date: | 2018-04-27 | Release date: | 2019-08-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Dynamic tuning of FRET in a green fluorescent protein biosensor. Sci Adv, 5, 2019
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