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3PTG
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BU of 3ptg by Molmil
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
6H39
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BU of 6h39 by Molmil
Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor RTS-V5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Groll, M, Hansen, F.K.
Deposit date:2018-07-17
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018
6CW8
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BU of 6cw8 by Molmil
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
4XQA
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BU of 4xqa by Molmil
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
4XQB
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BU of 4xqb by Molmil
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
8A3O
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BU of 8a3o by Molmil
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
8A3P
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BU of 8a3p by Molmil
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
7ND2
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BU of 7nd2 by Molmil
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
5L3W
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BU of 5l3w by Molmil
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
5L3Q
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BU of 5l3q by Molmil
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
5L3S
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BU of 5l3s by Molmil
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
5L3V
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BU of 5l3v by Molmil
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
5TOL
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BU of 5tol by Molmil
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
3RTP
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BU of 3rtp by Molmil
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
6EZD
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BU of 6ezd by Molmil
Pyrrolysyl-tRNA synthetase from Canditatus Methanomethylophilus alvus (MmaPylRS)
Descriptor: Pyrrolysyl-tRNA synthetase
Authors:Pavkov-Keller, T, Schweiger, K, Gruber, K.
Deposit date:2017-11-15
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A new archaeal pyrrolysyl-tRNA synthetase/amber suppressor tRNA pair for orthogonal protein translation
to be published
2OZL
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BU of 2ozl by Molmil
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
2NTI
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BU of 2nti by Molmil
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
2M97
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BU of 2m97 by Molmil
Optimized Ratiometric Calcium Sensors For Functional In Vivo Imaging of Neurons and T-Lymphocytes
Descriptor: Optimized Ratiometric Calcium Sensor
Authors:Russo, L, Becker, S, Griesinger, C.
Deposit date:2013-06-04
Release date:2014-01-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Optimized ratiometric calcium sensors for functional in vivo imaging of neurons and T lymphocytes.
Nat.Methods, 11, 2014
2IJX
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BU of 2ijx by Molmil
Crystal structure of PCNA3 monomer from Sulfolobus solfataricus.
Descriptor: 1,2-ETHANEDIOL, DNA polymerase sliding clamp A
Authors:Hlinkova, V, Ling, H.
Deposit date:2006-10-01
Release date:2007-10-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of monomeric, dimeric and trimeric PCNA: PCNA-ring assembly and opening.
Acta Crystallogr.,Sect.D, 64, 2008
6GEL
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BU of 6gel by Molmil
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
6GEZ
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BU of 6gez by Molmil
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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