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4H3X
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BU of 4h3x by Molmil
Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A.
登録日2012-09-14
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.764 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
5IP4
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BU of 5ip4 by Molmil
X-RAY STRUCTURE OF THE C-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
分子名称: Neuronal migration protein doublecortin, XA4551 NANOBODY AGAINST C-DCX
著者Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
登録日2016-03-09
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
6O81
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BU of 6o81 by Molmil
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to translation initiation factor 2 from Homo sapiens
分子名称: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, ...
著者Nguyen, H, Kenner, L, Frost, A.
登録日2019-03-08
公開日2019-05-15
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
5CUH
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BU of 5cuh by Molmil
Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4
分子名称: (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Tepshi, L, Vera, L, Nuti, E, Rosalia, L, Rossello, A, Stura, E.A.
登録日2015-07-24
公開日2016-02-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models.
Eur.J.Med.Chem., 111, 2016
1H4K
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BU of 1h4k by Molmil
Sulfurtransferase from Azotobacter vinelandii in complex with hypophosphite
分子名称: 1,2-ETHANEDIOL, HYPOPHOSPHITE, SULFATE ION, ...
著者Bordo, D, Forlani, F, Spallarossa, A, Colnaghi, R, Carpen, A, Pagani, S, Bolognesi, M.
登録日2001-05-11
公開日2002-05-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A Persulfurated Cysteine Promotes Active Site Reactivity in Azotobacter Vinelandii Rhodanse
Biol.Chem., 382, 2001
1H4M
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BU of 1h4m by Molmil
Sulfurtransferase from Azotobacter vinelandii in complex with phosphate
分子名称: 1,2-ETHANEDIOL, PUTATIVE THIOSULFATE SULFURTRANSFERASE
著者Bordo, D, Forlani, F, Spallarossa, A, Colnaghi, R, Carpen, A, Pagani, S, Bolognesi, M.
登録日2001-05-11
公開日2002-05-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Persulfurated Cysteine Promotes Active Site Reactivity in Azotobacter Vinelandii Rhodanse
Biol.Chem., 382, 2001
5I12
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BU of 5i12 by Molmil
Crystal structure of the catalytic domain of MMP-9 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27).
分子名称: (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-05
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I2Z
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BU of 5i2z by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24).
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-09
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I0L
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BU of 5i0l by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27).
分子名称: (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-04
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
3CJK
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BU of 3cjk by Molmil
Crystal structure of the adduct HAH1-Cd(II)-MNK1.
分子名称: CADMIUM ION, Copper transport protein ATOX1, Copper-transporting ATPase 1
著者Banci, L, Bertini, I, Calderone, V, Felli, I, Della-Malva, N, Pavelkova, A, Rosato, A.
登録日2008-03-13
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Copper(I)-mediated protein-protein interactions result from suboptimal interaction surfaces.
Biochem.J., 422, 2009
1GNC
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BU of 1gnc by Molmil
STRUCTURE AND DYNAMICS OF THE HUMAN GRANULOCYTE COLONY-STIMULATING FACTOR DETERMINED BY NMR SPECTROSCOPY. LOOP MOBILITY IN A FOUR-HELIX-BUNDLE PROTEIN
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Zink, T.W, Ross, A, Rudolph, R, Holak, T.A.
登録日1994-03-08
公開日1994-07-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure and dynamics of the human granulocyte colony-stimulating factor determined by NMR spectroscopy. Loop mobility in a four-helix-bundle protein.
Biochemistry, 33, 1994
7OVY
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BU of 7ovy by Molmil
Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Macrophage metalloelastase, ...
著者Ciccone, L, Rossello, A, Vera, L, Nuti, E, Stura, E.A.
登録日2021-06-15
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5I43
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BU of 5i43 by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32).
分子名称: (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-11
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I3M
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BU of 5i3m by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31).
分子名称: (2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-10
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
5I4O
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BU of 5i4o by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28).
分子名称: CALCIUM ION, Macrophage metalloelastase, N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-12
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
1HKF
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BU of 1hkf by Molmil
The three dimensional structure of NK cell receptor Nkp44, a triggering partner in natural cytotoxicity
分子名称: NK CELL ACTIVATING RECEPTOR
著者Ponassi, M, Cantoni, C, Biassoni, R, Conte, R, Spallarossa, A, Moretta, A, Moretta, L, Bolognesi, M, Bordo, D.
登録日2003-03-10
公開日2003-06-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Three-Dimensional Structure of the Human Nk Cell Receptor Nkp44, a Triggering Partner in Natural Cytotoxicity
Structure, 11, 2003
4H2E
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BU of 4h2e by Molmil
Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains
分子名称: ACETATE ION, BICINE, CALCIUM ION, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A.
登録日2012-09-12
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
4H49
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BU of 4h49 by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor.
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Antoni, C, Stura, E.A, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A.
登録日2012-09-17
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
4H1Q
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BU of 4h1q by Molmil
Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.
分子名称: CALCIUM ION, Matrix metalloproteinase-9, N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A.
登録日2012-09-11
公開日2013-04-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
4H30
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BU of 4h30 by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor.
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Antoni, C, Stura, E.A, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A.
登録日2012-09-13
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
2Y2G
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BU of 2y2g by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (A01)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
著者Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
登録日2010-12-15
公開日2011-08-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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
分子名称: (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide, GLYCEROL, Transthyretin
著者Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A.
登録日2014-06-11
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
2Y2O
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BU of 2y2o by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (EO9)
分子名称: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
著者Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
登録日2010-12-15
公開日2011-08-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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
分子名称: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin
著者Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E.
登録日2014-06-11
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
2Y2N
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PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E07)
分子名称: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
著者Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
登録日2010-12-15
公開日2011-08-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011

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