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4PMF
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BU of 4pmf by Molmil
Human transthyretin (TTR) complexed with curcumin
Descriptor: (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, 1,2-ETHANEDIOL, SODIUM ION, ...
Authors:Stura, E.A, Ciccone, L.
Deposit date:2014-05-21
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014
4PME
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BU of 4pme by Molmil
Human transthyretin (TTR) complexed with ferulic acid and curcumin.
Descriptor: (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
Authors:Stura, E.A, Ciccone, L.
Deposit date:2014-05-21
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.264 Å)
Cite:Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014
4TQP
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BU of 4tqp by Molmil
Human transthyretin (TTR) complexed with (R)-3-(9H-fluoren-9-ylideneaminooxy)-2-methyl-N-(methylsulfonyl) propionamide in a dual binding mode
Descriptor: (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide, GLYCEROL, Transthyretin
Authors:Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
4TQ8
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BU of 4tq8 by Molmil
Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR)
Descriptor: 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin
Authors:Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A.
Deposit date:2014-06-10
Release date:2015-06-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
4TQI
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BU of 4tqi by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode
Descriptor: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin
Authors:Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
4TQH
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BU of 4tqh by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid
Descriptor: 1,2-ETHANEDIOL, Transthyretin, [(9H-fluoren-9-ylideneamino)oxy]acetic acid
Authors:Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.511 Å)
Cite:X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
5NBH
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BU of 5nbh by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre, P212121 native
Descriptor: Fiber, GLYCEROL
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2017-03-01
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
5NC1
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BU of 5nc1 by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre bound to N-acetyl-glucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fiber, GLYCEROL, ...
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2017-03-03
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
8STX
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BU of 8stx by Molmil
Crystal structure of the F337A mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
Descriptor: Glucokinase
Authors:Abiskaroon, B, Carey, S.M, D'Antonio, E.L, Chruszcz, M.
Deposit date:2023-05-11
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:At the outer part of the active site in Trypanosoma cruzi glucokinase: The role of phenylalanine 337.
Biochimie, 218, 2023
6FNE
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BU of 6fne by Molmil
Structure of human Brag2 (Sec7-PH domains) with the inhibitor Bragsin bound to the PH domain
Descriptor: (2~{S})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one, IQ motif and SEC7 domain-containing protein 1, NONAETHYLENE GLYCOL
Authors:Nawrotek, A, Zeghouf, M, Cherfils, J.
Deposit date:2018-02-03
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:PH-domain-binding inhibitors of nucleotide exchange factor BRAG2 disrupt Arf GTPase signaling.
Nat.Chem.Biol., 15, 2019
3NFD
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BU of 3nfd by Molmil
Chronobacterium ammoniagenes ACPS-CoA complex
Descriptor: COENZYME A, Phosphopantetheine protein transferase, Ppt1p
Authors:Gokulan, K.
Deposit date:2010-06-10
Release date:2011-01-05
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mycobacterium tuberculosis acyl carrier protein synthase adopts two different pH-dependent structural conformations.
Acta Crystallogr.,Sect.D, 67, 2011
4D63
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BU of 4d63 by Molmil
Structure of the carboxy-terminal domain of the turkey type 3 siadenovirus fibre, avirulent form complexed with 6-sialyllactose.
Descriptor: FIBER KNOB DOMAIN, N-acetyl-alpha-neuraminic acid
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2014-11-08
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Sialyllactose Binding of the Carboxy-Terminal Head Domain of the Fibre from a Siadenovirus, Turkey Adenovirus 3.
PLoS ONE, 10, 2015
4D62
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BU of 4d62 by Molmil
Structure of the carboxy-terminal domain of the turkey type 3 siadenovirus fibre, avirulent form complexed with 3-sialyllactose.
Descriptor: FIBER KNOB DOMAIN, N-acetyl-alpha-neuraminic acid
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2014-11-08
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Sialyllactose Binding of the Carboxy-Terminal Head Domain of the Fibre from a Siadenovirus, Turkey Adenovirus 3.
PLoS ONE, 10, 2015
3NE1
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BU of 3ne1 by Molmil
Mycobacterium tuberculosis Acyl Carrier Protein Synthase in complex with sulfate ion
Descriptor: Holo-[acyl-carrier-protein] synthase, SULFATE ION
Authors:Gokulan, K.
Deposit date:2010-06-08
Release date:2010-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Mycobacterium tuberculosis acyl carrier protein synthase adopts two different pH-dependent structural conformations.
Acta Crystallogr.,Sect.D, 67, 2011
3NE9
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BU of 3ne9 by Molmil
Chronobacterium ammoiniagenes apo-ACPS structure
Descriptor: Phosphopantetheine protein transferase, Ppt1p, SULFATE ION
Authors:Gokulan, K, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2010-06-08
Release date:2010-08-25
Last modified:2020-09-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis acyl carrier protein synthase adopts two different pH-dependent structural conformations.
Acta Crystallogr.,Sect.D, 67, 2011
3NE3
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BU of 3ne3 by Molmil
Mycobacterium tuberculosis Acyl Carrier Protein Synthase Apo structure
Descriptor: Holo-[acyl-carrier-protein] synthase
Authors:Gokulan, K, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2010-06-08
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mycobacterium tuberculosis acyl carrier protein synthase adopts two different pH-dependent structural conformations.
Acta Crystallogr.,Sect.D, 67, 2011
4CW8
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BU of 4cw8 by Molmil
Structure of the carboxy-terminal domain of the turkey type 3 siadenovirus fibre, virulent form
Descriptor: FIBER KNOB DOMAIN, PHOSPHATE ION
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2014-04-01
Release date:2015-04-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Sialyllactose Binding of the Carboxy-Terminal Head Domain of the Fibre from a Siadenovirus, Turkey Adenovirus 3.
PLoS ONE, 10, 2015
3RTK
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BU of 3rtk by Molmil
Crystal structure of Cpn60.2 from Mycobacterium tuberculosis at 2.8A
Descriptor: 60 kDa chaperonin 2, MAGNESIUM ION
Authors:Shahar, A, Melamed-Frank, M, Kashi, Y, Adir, N.
Deposit date:2011-05-03
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The dimeric structure of the Cpn60.2 chaperonin of Mycobacterium tuberculosis at 2.8 A reveals possible modes of function.
J.Mol.Biol., 412, 2011
3FSR
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BU of 3fsr by Molmil
Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NADP-dependent alcohol dehydrogenase, ...
Authors:Frolow, F, Greenblatt, H, Goihberg, E, Burstein, Y.
Deposit date:2009-01-11
Release date:2010-01-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms
Biochemistry, 49, 2010
6UPJ
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BU of 6upj by Molmil
HIV-2 PROTEASE/U99294 COMPLEX
Descriptor: 6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE, HIV-2 PROTEASE
Authors:Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C.
Deposit date:1996-12-10
Release date:1997-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors.
J.Med.Chem., 38, 1995
7UPJ
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BU of 7upj by Molmil
HIV-1 PROTEASE/U101935 COMPLEX
Descriptor: HIV-1 PROTEASE, N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1996-12-05
Release date:1997-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
8J91
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BU of 8j91 by Molmil
Cryo-EM structure of nucleosome containing Arabidopsis thaliana histones
Descriptor: DNA (169-MER), HTA13, Histone H2B.6, ...
Authors:Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T.
Deposit date:2023-05-02
Release date:2024-07-03
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1.
Nat Commun, 15, 2024
8J90
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BU of 8j90 by Molmil
Cryo-EM structure of DDM1-nucleosome complex
Descriptor: ATP-dependent DNA helicase DDM1, DNA (169-MER), HTA6, ...
Authors:Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T.
Deposit date:2023-05-02
Release date:2024-07-03
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.71 Å)
Cite:Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1.
Nat Commun, 15, 2024
8J92
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BU of 8j92 by Molmil
Cryo-EM structure of nucleosome containing Arabidopsis thaliana H2A.W
Descriptor: DNA (169-MER), HTA6, HTB9, ...
Authors:Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T.
Deposit date:2023-05-02
Release date:2024-07-03
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1.
Nat Commun, 15, 2024
3CCC
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BU of 3ccc by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile, ...
Authors:Wallace, M.B, Skene, R.J.
Deposit date:2008-02-25
Release date:2008-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008

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