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3N5G
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BU of 3n5g by Molmil
Crystal Structure of histidine-tagged human thymidylate synthase
分子名称: SULFATE ION, Thymidylate synthase
著者Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S.
登録日2010-05-25
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3N5E
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BU of 3n5e by Molmil
Crystal Structure of human thymidylate synthase bound to a peptide inhibitor
分子名称: SULFATE ION, Synthetic peptide LR, Thymidylate synthase
著者Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S.
登録日2010-05-25
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
7EH3
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BU of 7eh3 by Molmil
Structure of Nanobody Nb23 in solution using NMR spectroscopy
分子名称: Nb23
著者Percipalle, M, Hunashal, Y, Esposito, G, Fogolari, F.
登録日2021-03-28
公開日2021-07-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure of Nanobody Nb23.
Molecules, 26, 2021
5IL7
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BU of 5il7 by Molmil
Leucine rich repeat domain of the Chlorobium tepidum Roco protein
分子名称: Rab family protein
著者Gotthardt, K, Wittinghofer, A.
登録日2016-03-04
公開日2016-03-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural model of the dimeric Parkinson's protein LRRK2 reveals a compact architecture involving distant interdomain contacts.
Proc.Natl.Acad.Sci.USA, 113, 2016
2Z9T
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BU of 2z9t by Molmil
Crystal structure of the human beta-2 microglobulin mutant W60G
分子名称: Beta-2-microglobulin
著者Ricagno, S, Bolognesi, M, Bellotti, V, Corazza, A, Rennella, E, Gural, D, Mimmi, M.C, Betto, E, Pucillo, C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M.
登録日2007-09-26
公開日2008-04-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The controlling roles of Trp60 and Trp95 in beta2-microglobulin function, folding and amyloid aggregation properties
J.Mol.Biol., 378, 2008
5DPX
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BU of 5dpx by Molmil
1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases.
分子名称: 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ...
著者Nauton, L, Garau, G, Khan, R, Dideberg, O.
登録日2015-09-14
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
6MKB
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BU of 6mkb by Molmil
Crystal structure of murine 4-1BB ligand
分子名称: SODIUM ION, SULFATE ION, Tumor necrosis factor ligand superfamily member 9, ...
著者Bitra, A, Zajonc, D.M, Doukov, T.
登録日2018-09-25
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the m4-1BB/4-1BBL complex reveals an unusual dimeric ligand that undergoes structural changes upon 4-1BB receptor binding.
J. Biol. Chem., 294, 2019
6MKZ
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Crystal structure of murine 4-1BB/4-1BBL complex
分子名称: Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor receptor superfamily member 9, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Bitra, A, Zajonc, D.M, Doukov, T.
登録日2018-09-26
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of the m4-1BB/4-1BBL complex reveals an unusual dimeric ligand that undergoes structural changes upon 4-1BB receptor binding.
J. Biol. Chem., 294, 2019
5N5K
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BU of 5n5k by Molmil
Human catalytic MMP-12 in complex with 5-(1,2-dithiolan-3-yl)-N-(3-hydroxypropyl)pentanamide
分子名称: 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
著者Calderone, V.
登録日2017-02-14
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).
J. Med. Chem., 60, 2017
5N5J
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Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate
分子名称: 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
著者Calderone, V.
登録日2017-02-14
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).
J. Med. Chem., 60, 2017
8R4C
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BU of 8r4c by Molmil
LRR domain of Roco protein from C. tepidum bound to the activating Nanobody NbRoco2
分子名称: NbRoco2, Rab family protein
著者Galicia, C, Versees, W.
登録日2023-11-13
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Structural insights into the GTP-driven monomerization and activation of a bacterial LRRK2 homolog using allosteric nanobodies.
Elife, 13, 2024
8R4D
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BU of 8r4d by Molmil
Focused map on the Roc-COR domains of the Roco protein from C. tepidum in the GTP state bound to the activating Nanobody NbRoco1
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, NbRoco1, Rab family protein
著者Galicia, C, Versees, W.
登録日2023-11-13
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Structural insights into the GTP-driven monomerization and activation of a bacterial LRRK2 homolog using allosteric nanobodies.
Elife, 13, 2024
7RKT
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Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
分子名称: (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKR
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Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKW
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Naegleria fowleri CYP51(NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate
分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
4E28
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BU of 4e28 by Molmil
Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor
分子名称: 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, SULFATE ION, ...
著者Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P.
登録日2012-03-07
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase.
J.Med.Chem., 55, 2012
5CKA
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BU of 5cka by Molmil
Human beta-2 microglobulin double mutant W60G-N83V
分子名称: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Sala, B.M, De Rosa, M, Bolognesi, M, Ricagno, S.
登録日2015-07-15
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational design of mutations that change the aggregation rate of a protein while maintaining its native structure and stability.
Sci Rep, 6, 2016
5CKG
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BU of 5ckg by Molmil
Human beta-2 microglobulin mutant V85E
分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL
著者Sala, B.M, De Rosa, M, Bolognesi, M, Ricagno, S.
登録日2015-07-15
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rational design of mutations that change the aggregation rate of a protein while maintaining its native structure and stability.
Sci Rep, 6, 2016
5CFH
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BU of 5cfh by Molmil
human beta-2 microglobulin double mutant W60G-Y63W
分子名称: Beta-2-microglobulin
著者Sala, B.M, De Rosa, M, Bolognesi, M, Ricagno, S.
登録日2015-07-08
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Rational design of mutations that change the aggregation rate of a protein while maintaining its native structure and stability.
Sci Rep, 6, 2016
5TBP
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BU of 5tbp by Molmil
Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X.
登録日2016-09-12
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha.
Nat Commun, 8, 2017
4N5G
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Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012
分子名称: 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha
著者Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C.
登録日2013-10-09
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
4N8R
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Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008
分子名称: 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha
著者Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C.
登録日2013-10-17
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
8R4B
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BU of 8r4b by Molmil
Roco protein from C. tepidum in the GTP state bound to the activating Nanobodies NbRoco1 and NbRoco2
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, NbRoco1, NbRoco2, ...
著者Galicia, C, Versees, W.
登録日2023-11-13
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Structural insights into the GTP-driven monomerization and activation of a bacterial LRRK2 homolog using allosteric nanobodies.
Elife, 13, 2024
2BJE
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BU of 2bje by Molmil
Acylphosphatase from Sulfolobus solfataricus. Monclinic P21 space group
分子名称: ACYLPHOSPHATASE, CHLORIDE ION, SULFATE ION
著者Rosano, C, Zuccotti, S.
登録日2005-02-02
公開日2005-11-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure, Conformational Stability, and Enzymatic Properties of Acylphosphatase from the Hyperthermophile Sulfolobus Solfataricus.
Proteins: Struct., Funct., Bioinf., 62, 2006
2BJD
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Sulfolobus Solfataricus Acylphosphatase. Triclinic space group
分子名称: ACYLPHOSPHATASE, CADMIUM ION, CHLORIDE ION, ...
著者Rosano, C, Zuccotti, S, Bolognesi, M.
登録日2005-02-02
公開日2005-11-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structure, Conformational Stability, and Enzymatic Properties of Acylphosphatase from the Hyperthermophile Sulfolobus Solfataricus.
Proteins: Struct., Funct., Bioinf., 62, 2006

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