4E1A
 
 | | Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis at 1.62A resolution | | Descriptor: | GLYCEROL, Phosphopantetheine adenylyltransferase | | Authors: | Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P. | | Deposit date: | 2012-03-06 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | X-ray study of the conformational changes in the molecule of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis during the catalyzed reaction.
Acta Crystallogr.,Sect.D, 68, 2012
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1U1H
 | | A. thaliana cobalamine independent methionine synthase | | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, METHIONINE, SULFATE ION, ... | | Authors: | Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R. | | Deposit date: | 2004-07-15 | | Release date: | 2004-09-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
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5COE
 | | The structure of the NK1 fragment of HGF/SF complexed with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Ascher, D.B, Chirgadze, D.Y, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-20 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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1U22
 | | A. thaliana cobalamine independent methionine synthase | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, ... | | Authors: | Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R. | | Deposit date: | 2004-07-16 | | Release date: | 2004-09-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
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1U1J
 | | A. thaliana cobalamine independent methionine synthase | | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, METHIONINE, ... | | Authors: | Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R. | | Deposit date: | 2004-07-15 | | Release date: | 2004-09-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
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1U1U
 | | A. thaliana cobalamine independent methionine synthase | | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, SULFATE ION, ZINC ION | | Authors: | Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R. | | Deposit date: | 2004-07-16 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
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5CT3
 | | The structure of the NK1 fragment of HGF/SF complexed with 2FA | | Descriptor: | 3-hydroxypropane-1-sulfonic acid, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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6TE5
 | | Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with LQ43 inhibitor compound | | Descriptor: | 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ... | | Authors: | Gelardi, E.L.M, Garavaglia, S. | | Deposit date: | 2019-11-11 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Imidazo[1,2- a ]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
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5CS3
 | | The structure of the NK1 fragment of HGF/SF complexed with (H)EPPS | | Descriptor: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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1SXZ
 | | Reduced bovine superoxide dismutase at pH 5.0 complexed with azide | | Descriptor: | AZIDE ION, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S. | | Deposit date: | 1998-09-22 | | Release date: | 1998-09-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site
J.Biol.Inorg.Chem., 3, 1998
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5CT2
 | | The structure of the NK1 fragment of HGF/SF complexed with CAPS | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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5BNC
 | | Structure of heme binding protein MSMEG_6519 from Mycobacterium smegmatis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, NICKEL (II) ION, ... | | Authors: | Ahmed, F.H, Carr, P.D, Jackson, C.J. | | Deposit date: | 2015-05-26 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
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6S6W
 | | Crystal Structure of human ALDH1A3 in complex with 2,6-diphenylimidazo[1,2-a]pyridine (compound GA11) and NAD+ | | Descriptor: | 2,6-diphenylimidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ... | | Authors: | Gelardi, E.L.M, Quattrini, L, LaMotta, C, Ferraris, D.M, Garavaglia, S. | | Deposit date: | 2019-07-03 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Imidazo[1,2-a]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
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5CSQ
 | | The structure of the NK1 fragment of HGF/SF complexed with MOPS | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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5CS9
 | | The structure of the NK1 fragment of HGF/SF complexed with MES | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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5CT1
 | | The structure of the NK1 fragment of HGF/SF complexed with CHES | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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5CS1
 | | The structure of the NK1 fragment of HGF/SF | | Descriptor: | Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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5D21
 | | Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA | | Descriptor: | CALCIUM ION, LecA, phenyl beta-D-galactopyranoside | | Authors: | Bergmann, M, Michaud, G, Visini, R, Jin, X, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2015-08-05 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA.
Org.Biomol.Chem., 14, 2016
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5CS5
 | | The structure of the NK1 fragment of HGF/SF complexed with PIPES | | Descriptor: | Hepatocyte growth factor, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID) | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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1UO6
 | | PORCINE PANCREATIC ELASTASE/Xe-COMPLEX | | Descriptor: | CHLORIDE ION, ELASTASE 1, GLYCEROL, ... | | Authors: | Mueller-Dieckmann, C, Polentarutti, M, Djinovic-Carugo, K, Panjikar, S, Tucker, P.A, Weiss, M.S. | | Deposit date: | 2003-09-16 | | Release date: | 2003-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part II. Data-Collection Wavelength and Scaling Models
Acta Crystallogr.,Sect.D, 60, 2004
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1SU7
 | | Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans- DTT reduced state | | Descriptor: | Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O. | | Deposit date: | 2004-03-26 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
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1SXN
 | | REDUCED BOVINE SUPEROXIDE DISMUTASE AT PH 5.0 | | Descriptor: | CALCIUM ION, COPPER (II) ION, CU, ... | | Authors: | Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S. | | Deposit date: | 1997-09-17 | | Release date: | 1998-03-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site.
J.Biol.Inorg.Chem., 3, 1998
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5CP9
 | | The structure of the NK1 fragment of HGF/SF complexed with MB605 | | Descriptor: | 1,2-ETHANEDIOL, 3-(furan-2-yl)propanoic acid, Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-21 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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1SU6
 | | Carbon monoxide dehydrogenase from Carboxydothermus hydrogenoformans: CO reduced state | | Descriptor: | Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O. | | Deposit date: | 2004-03-26 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
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1SUF
 | | Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans-Inactive state | | Descriptor: | Carbon Monoxide Dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O. | | Deposit date: | 2004-03-26 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
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