1RM4
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![BU of 1rm4 by Molmil](/molmil-images/mine/1rm4) | Crystal structure of recombinant photosynthetic glyceraldehyde-3-phosphate dehydrogenase A4 isoform, complexed with NADP | Descriptor: | Glyceraldehyde 3-phosphate dehydrogenase A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | Authors: | Sparla, F, Fermani, S, Falini, G, Ripamonti, A, Sabatino, P, Pupillo, P, Trost, P. | Deposit date: | 2003-11-27 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Coenzyme Site-directed Mutants of Photosynthetic A(4)-GAPDH Show Selectively Reduced NADPH-dependent Catalysis, Similar to Regulatory AB-GAPDH Inhibited by Oxidized Thioredoxin J.Mol.Biol., 340, 2004
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1RL0
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![BU of 1rl0 by Molmil](/molmil-images/mine/1rl0) | Crystal structure of a new ribosome-inactivating protein (RIP): dianthin 30 | Descriptor: | Antiviral protein DAP-30 | Authors: | Fermani, S, Falini, G, Ripamonti, A, Bolognesi, A, Polito, L, Stirpe, F. | Deposit date: | 2003-11-24 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The 1.4A structure of dianthin 30 indicates a role of surface potential at the active site of type 1 ribosome inactivating proteins J.Struct.Biol., 149, 2005
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1RM3
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![BU of 1rm3 by Molmil](/molmil-images/mine/1rm3) | Crystal structure of mutant T33A of photosynthetic glyceraldehyde-3-phosphate dehydrogenase A4 isoform, complexed with NADP | Descriptor: | Glyceraldehyde 3-phosphate dehydrogenase A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | Authors: | Sparla, F, Fermani, S, Falini, G, Ripamonti, A, Sabatino, P, Pupillo, P, Trost, P. | Deposit date: | 2003-11-27 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Coenzyme Site-directed Mutants of Photosynthetic A(4)-GAPDH Show Selectively Reduced NADPH-dependent Catalysis, Similar to Regulatory AB-GAPDH Inhibited by Oxidized Thioredoxin J.Mol.Biol., 340, 2004
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1RMQ
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![BU of 1rmq by Molmil](/molmil-images/mine/1rmq) | Crystal structure of AphA class B acid phosphatase/phosphotransferase with osmiate mimicking the catalytic intermediate | Descriptor: | COBALT (II) ION, Class B acid phosphatase, OSMIUM ION | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights in the catalytic mechanism of AphA from Escherichia coli To be Published
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1RMT
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![BU of 1rmt by Molmil](/molmil-images/mine/1rmt) | Crystal structure of AphA class B acid phosphatase/phosphotransferase complexed with adenosine. | Descriptor: | ADENOSINE, Class B acid phosphatase, MAGNESIUM ION | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insights in the catalytic mechanism of AphA from Escherichia coli To be Published
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1RM5
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![BU of 1rm5 by Molmil](/molmil-images/mine/1rm5) | Crystal structure of mutant S188A of photosynthetic glyceraldehyde-3-phosphate dehydrogenase A4 isoform, complexed with NADP | Descriptor: | Glyceraldehyde 3-phosphate dehydrogenase A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | Authors: | Sparla, F, Fermani, S, Falini, G, Ripamonti, A, Sabatino, P, Pupillo, P, Trost, P. | Deposit date: | 2003-11-27 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Coenzyme Site-directed Mutants of Photosynthetic A(4)-GAPDH Show Selectively Reduced NADPH-dependent Catalysis, Similar to Regulatory AB-GAPDH Inhibited by Oxidized Thioredoxin J.Mol.Biol., 340, 2004
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1RMY
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![BU of 1rmy by Molmil](/molmil-images/mine/1rmy) | Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with deoxycytosine and phosphate bound to the catalytic metal | Descriptor: | 2'-DEOXYCYTIDINE, Class B acid phosphatase, MAGNESIUM ION, ... | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights in the catalytic mechanism of AphA from Escherichia coli To be Published
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7AV7
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![BU of 7av7 by Molmil](/molmil-images/mine/7av7) | Crystal structure of S-nitrosylated nitrosoglutathione reductase(GSNOR)from Chlamydomonas reinhardtii, in complex with NAD+ | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-(hydroxymethyl)glutathione dehydrogenase, ... | Authors: | Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D. | Deposit date: | 2020-11-04 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii. Redox Biol, 38, 2020
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3LVZ
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![BU of 3lvz by Molmil](/molmil-images/mine/3lvz) | New refinement of the crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum | Descriptor: | Blr6230 protein, ZINC ION | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Stoczko, M, Rossolini, G.M, Mangani, S. | Deposit date: | 2010-02-23 | Release date: | 2011-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides. Antimicrob.Agents Chemother., 54, 2010
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3HUQ
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![BU of 3huq by Molmil](/molmil-images/mine/3huq) | Thieno[3,2-b]thiophene in complex with T4 lysozyme L99A/M102Q | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-15 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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1SB1
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![BU of 1sb1 by Molmil](/molmil-images/mine/1sb1) | Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics | Descriptor: | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ... | Authors: | Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D. | Deposit date: | 2004-02-09 | Release date: | 2004-06-08 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics Eur.J.Med.Chem., 39, 2004
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8P3A
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![BU of 8p3a by Molmil](/molmil-images/mine/8p3a) | |
3CTK
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![BU of 3ctk by Molmil](/molmil-images/mine/3ctk) | Crystal structure of the type 1 RIP bouganin | Descriptor: | rRNA N-glycosidase | Authors: | Fermani, S, Tosi, G, Falini, G, Ripamonti, A, Farini, V, Bolognesi, A, Polito, L. | Deposit date: | 2008-04-14 | Release date: | 2008-05-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure/function studies on two type 1 ribosome inactivating proteins: Bouganin and lychnin. J.Struct.Biol., 168, 2009
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7T2F
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![BU of 7t2f by Molmil](/molmil-images/mine/7t2f) | Solution structure of the model HEEH mini protein homodimer HEEH_TK_rd5_0341 | Descriptor: | HEEH mini protein HEEH_TK_rd5_0341 | Authors: | Lemak, A, Houliston, S, Kim, T.-E, Martel, C, Rocklin, G.J, Arrowsmith, C.H. | Deposit date: | 2021-12-04 | Release date: | 2022-10-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation. Proc.Natl.Acad.Sci.USA, 119, 2022
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6WCZ
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![BU of 6wcz by Molmil](/molmil-images/mine/6wcz) | CryoEM structure of full-length ZIKV NS5-hSTAT2 complex | Descriptor: | Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION | Authors: | Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S. | Deposit date: | 2020-03-31 | Release date: | 2020-07-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis for STAT2 suppression by flavivirus NS5. Nat.Struct.Mol.Biol., 27, 2020
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3HT8
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![BU of 3ht8 by Molmil](/molmil-images/mine/3ht8) | 5-chloro-2-methylphenol in complex with T4 lysozyme L99A/M102Q | Descriptor: | 5-chloro-2-methylphenol, Lysozyme, PHOSPHATE ION | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HTG
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![BU of 3htg by Molmil](/molmil-images/mine/3htg) | 2-ethoxy-3,4-dihydro-2h-pyran in complex with T4 lysozyme L99A/M102Q | Descriptor: | (2S)-2-ethoxy-3,4-dihydro-2H-pyran, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HUA
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![BU of 3hua by Molmil](/molmil-images/mine/3hua) | 4,5,6,7-tetrahydroindole in complex with T4 lysozyme L99A/M102Q | Descriptor: | 4,5,6,7-tetrahydro-1H-indole, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-13 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HTB
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![BU of 3htb by Molmil](/molmil-images/mine/3htb) | 2-propylphenol in complex with T4 lysozyme L99A/M102Q | Descriptor: | 2-propylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HT7
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![BU of 3ht7 by Molmil](/molmil-images/mine/3ht7) | 2-ethylphenol in complex with T4 lysozyme L99A/M102Q | Descriptor: | 2-ethylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HTF
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![BU of 3htf by Molmil](/molmil-images/mine/3htf) | 4-chloro-1h-pyrazole in complex with T4 lysozyme L99A/M102Q | Descriptor: | 4-chloro-1H-pyrazole, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HU9
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![BU of 3hu9 by Molmil](/molmil-images/mine/3hu9) | Nitrosobenzene in complex with T4 lysozyme L99A/M102Q | Descriptor: | Lysozyme, NITROSOBENZENE, PHOSPHATE ION | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-13 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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4K7U
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![BU of 4k7u by Molmil](/molmil-images/mine/4k7u) | Crystal structure of Zn2.3-hUb (human ubiquitin) adduct from a solution 70 mM zinc acetate/1.3 mM hUb | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | Deposit date: | 2013-04-17 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions. Chemistry, 19, 2013
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3HT6
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![BU of 3ht6 by Molmil](/molmil-images/mine/3ht6) | 2-methylphenol in complex with T4 lysozyme L99A/M102Q | Descriptor: | Lysozyme, PHOSPHATE ION, o-cresol | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HTD
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![BU of 3htd by Molmil](/molmil-images/mine/3htd) | (Z)-Thiophene-2-carboxaldoxime in complex with T4 lysozyme L99A/M102Q | Descriptor: | (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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