1BC6
| 7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, 20 STRUCTURES | Descriptor: | 7-FE FERREDOXIN, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | Authors: | Aono, S, Bentrop, D, Bertini, I, Donaire, A, Luchinat, C, Niikura, Y, Rosato, A. | Deposit date: | 1998-05-05 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the oxidized Fe7S8 ferredoxin from the thermophilic bacterium Bacillus schlegelii by 1H NMR spectroscopy. Biochemistry, 37, 1998
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6TI9
| Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid. | Descriptor: | 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid, GLYCEROL, S-1,2-PROPANEDIOL, ... | Authors: | Ciccone, L, Nencetti, S, Orlandini, E, Rossello, A, Legrand, P, Shepard, W. | Deposit date: | 2019-11-22 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis. Bioorg.Med.Chem., 28, 2020
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6TJN
| Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid | Descriptor: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin | Authors: | Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A. | Deposit date: | 2019-11-26 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis. Bioorg.Med.Chem., 28, 2020
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1AKK
| SOLUTION STRUCTURE OF OXIDIZED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | CYTOCHROME C, HEME C | Authors: | Banci, L, Bertini, I, Gray, H.B, Luchinat, C, Reddig, T, Rosato, A, Turano, P. | Deposit date: | 1997-05-22 | Release date: | 1997-09-17 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of oxidized horse heart cytochrome c. Biochemistry, 36, 1997
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1AQA
| SOLUTION STRUCTURE OF REDUCED MICROSOMAL RAT CYTOCHROME B5, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Banci, L, Bertini, I, Ferroni, F, Rosato, A. | Deposit date: | 1997-07-28 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of reduced microsomal rat cytochrome b5. Eur.J.Biochem., 249, 1997
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1BFY
| SOLUTION STRUCTURE OF REDUCED CLOSTRIDIUM PASTEURIANUM RUBREDOXIN, NMR, 20 STRUCTURES | Descriptor: | FE (III) ION, RUBREDOXIN | Authors: | Bertini, I, Kurtz Junior, D.M, Eidsness, M.K, Liu, G, Luchinat, C, Rosato, A, Scott, R.A. | Deposit date: | 1998-05-23 | Release date: | 1999-05-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of Reduced Clostridium Pasteurianum Rubredoxin J.Biol.Inorg.Chem., 3, 1998
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2K1R
| The solution NMR structure of the complex between MNK1 and HAH1 mediated by Cu(I) | Descriptor: | COPPER (II) ION, Copper transport protein ATOX1, Copper-transporting ATPase 1 | Authors: | Bertini, I, Banci, L.C, Felli, I.C, Pavelkova, A, Rosato, A, Structural Proteomics in Europe (SPINE) | Deposit date: | 2008-03-14 | Release date: | 2009-03-31 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | The solution structure of the copper(I)-mediated complex between the first soluble domain of the Menkes protein and the metallochaperone HAH1. To be Published
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2JK5
| Potassium Channel KcsA in complex with Tetrabutylammonium in high K | Descriptor: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, ... | Authors: | Lenaeus, M.J, Focia, P.J, Wagner, T, Gross, A. | Deposit date: | 2008-08-15 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of Kcsa in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site. Biochemistry, 53, 2014
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2KMX
| Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-bound form | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Copper-transporting ATPase 1 | Authors: | Banci, L, Bertini, I, Cantini, F, Inagaki, S, Migliardi, M, Rosato, A. | Deposit date: | 2009-08-05 | Release date: | 2009-12-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The binding mode of ATP revealed by the solution structure of the N-domain of human ATP7A. J.Biol.Chem., 2009
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2KMV
| Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-free form | Descriptor: | Copper-transporting ATPase 1 | Authors: | Banci, L, Bertini, I, Cantini, F, Inagaki, S, Migliardi, M, Rosato, A. | Deposit date: | 2009-08-05 | Release date: | 2009-12-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The binding mode of ATP revealed by the solution structure of the N-domain of human ATP7A. J.Biol.Chem., 2009
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2KIJ
| Solution structure of the Actuator domain of the copper-transporting ATPase ATP7A | Descriptor: | Copper-transporting ATPase 1 | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Nushi, F, Natile, G, Rosato, A. | Deposit date: | 2009-05-06 | Release date: | 2009-08-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures of the actuator domain of ATP7A and ATP7B, the Menkes and Wilson disease proteins Biochemistry, 48, 2009
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8BOG
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 7 | Descriptor: | Ephrin type-A receptor 2, ~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOD
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 20 | Descriptor: | Ephrin type-A receptor 2, ~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOI
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 9 | Descriptor: | 4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOM
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 14 | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOK
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11 | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3,5-dimethoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOH
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 8 | Descriptor: | 4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOF
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 12 | Descriptor: | 4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOC
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 19 | Descriptor: | Ephrin type-A receptor 2, ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-11-29 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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3ZRJ
| Complex of ClpV N-domain with VipB peptide | Descriptor: | 1,2-ETHANEDIOL, CLPB PROTEIN, VIPB | Authors: | Lenherr, E.D, Kopp, J, Sinning, I. | Deposit date: | 2011-06-16 | Release date: | 2011-07-06 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Molecular Basis for the Unique Role of the Aaa+ Chaperone Clpv in Type Vi Protein Secretion. J.Biol.Chem., 286, 2011
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3ZRI
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6FNL
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase | Descriptor: | Ephrin type-B receptor 4 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.269 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6FNI
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with NVP-BHG712 | Descriptor: | 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.468 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6FNH
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.379 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6FNG
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.038 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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