4CQE
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![BU of 4cqe by Molmil](/molmil-images/mine/4cqe) | B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor | Descriptor: | N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide, SLC45A3-BRAF FUSION PROTEIN | Authors: | Casale, E, Fasolini, M, Pulici, M, Traquandi, G, Marchionni, C, Modugno, M, Lupi, R, Amboldi, N, Colombo, N, Corti, L, Gasparri, F, Pastori, W, Scolaro, A, Donati, D, Felder, E, Galvani, A, Isacchi, A, Pesenti, E, Ciomei, M. | Deposit date: | 2014-02-14 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect. Chemmedchem, 10, 2015
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1AK8
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![BU of 1ak8 by Molmil](/molmil-images/mine/1ak8) | NMR SOLUTION STRUCTURE OF CERIUM-LOADED CALMODULIN AMINO-TERMINAL DOMAIN (CE2-TR1C), 23 STRUCTURES | Descriptor: | CALMODULIN, CERIUM (III) ION | Authors: | Bentrop, D, Bertini, I, Cremonini, M.A, Forsen, S, Luchinat, C, Malmendal, A. | Deposit date: | 1997-05-29 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the paramagnetic complex of the N-terminal domain of calmodulin with two Ce3+ ions by 1H NMR. Biochemistry, 36, 1997
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7BUH
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![BU of 7buh by Molmil](/molmil-images/mine/7buh) | Reduced ferredoxin of carbazole 1,9a-dioxygenase | Descriptor: | 1,2-ETHANEDIOL, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | Authors: | Matsuzawa, J, Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2020-04-06 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Reduced ferredoxin of carbazole 1,9a-dioxygenase To Be Published
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7BUG
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![BU of 7bug by Molmil](/molmil-images/mine/7bug) | Reduced oxygenase of carbazole 1,9a-dioxygenase | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, CARBONATE ION, ... | Authors: | Matsuzawa, J, Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2020-04-06 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Reduced oxygenase of carbazole 1,9a-dioxygenase To Be Published
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7BUI
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![BU of 7bui by Molmil](/molmil-images/mine/7bui) | Complex of reduced oxygenase and oxidized ferredoxin in carbazole 1,9a- dioxygenase | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | Authors: | Matsuzawa, J, Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2020-04-06 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Complex of reduced oxygenase and oxidized ferredoxin in carbazole 1,9a- dioxygenase To Be Published
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5LAB
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![BU of 5lab by Molmil](/molmil-images/mine/5lab) | |
1FMY
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![BU of 1fmy by Molmil](/molmil-images/mine/1fmy) | HIGH RESOLUTION SOLUTION STRUCTURE OF THE PROTEIN PART OF CU7 METALLOTHIONEIN | Descriptor: | METALLOTHIONEIN | Authors: | Bertini, I, Hartmann, H.J, Klein, T, Liu, G, Luchinat, C, Weser, U. | Deposit date: | 2000-08-18 | Release date: | 2000-09-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High resolution solution structure of the protein part of Cu7 metallothionein. Eur.J.Biochem., 267, 2000
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8OGD
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![BU of 8ogd by Molmil](/molmil-images/mine/8ogd) | Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ... | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | Deposit date: | 2023-03-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
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8OGE
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![BU of 8oge by Molmil](/molmil-images/mine/8oge) | Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | Deposit date: | 2023-03-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
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5LSD
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![BU of 5lsd by Molmil](/molmil-images/mine/5lsd) | recombinant mouse Nerve Growth Factor | Descriptor: | Beta-nerve growth factor | Authors: | Paoletti, F, de Chiara, C, Kelly, G, Lamba, D, Cattaneo, A, Pastore, A. | Deposit date: | 2016-08-25 | Release date: | 2017-07-05 | Last modified: | 2024-07-03 | Method: | SOLUTION NMR | Cite: | Conformational Rigidity within Plasticity Promotes Differential Target Recognition of Nerve Growth Factor. Front Mol Biosci, 3, 2016
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5HYD
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![BU of 5hyd by Molmil](/molmil-images/mine/5hyd) | |
3H60
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![BU of 3h60 by Molmil](/molmil-images/mine/3h60) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Mn2+ atoms | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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3H63
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![BU of 3h63 by Molmil](/molmil-images/mine/3h63) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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3H67
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![BU of 3h67 by Molmil](/molmil-images/mine/3h67) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms complexed with cantharidic acid | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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3H61
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![BU of 3h61 by Molmil](/molmil-images/mine/3h61) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with norcantharidin (which is present in the structure in the hydrolyzed form) | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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3H62
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![BU of 3h62 by Molmil](/molmil-images/mine/3h62) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with cantharidic acid | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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3H69
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![BU of 3h69 by Molmil](/molmil-images/mine/3h69) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms complexed with endothall | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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3H68
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![BU of 3h68 by Molmil](/molmil-images/mine/3h68) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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3H64
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![BU of 3h64 by Molmil](/molmil-images/mine/3h64) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with endothall | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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3H66
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![BU of 3h66 by Molmil](/molmil-images/mine/3h66) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms | Descriptor: | Serine/threonine-protein phosphatase 5, ZINC ION | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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3R1G
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![BU of 3r1g by Molmil](/molmil-images/mine/3r1g) | Structure Basis of Allosteric Inhibition of BACE1 by an Exosite-Binding Antibody | Descriptor: | Beta-secretase 1, FAB of YW412.8.31 antibody heavy chain, FAB of YW412.8.31 antibody light chain | Authors: | Wang, W, Rouge, L, Wu, P, Chiu, C, Chen, Y, Wu, Y, Watts, R.J. | Deposit date: | 2011-03-10 | Release date: | 2011-06-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Therapeutic Antibody Targeting BACE1 Inhibits Amyloid-{beta} Production in Vivo. Sci Transl Med, 3, 2011
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3MBS
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![BU of 3mbs by Molmil](/molmil-images/mine/3mbs) | Crystal structure of 8mer PNA | Descriptor: | 1,2-ETHANEDIOL, Peptide Nucleic Acid | Authors: | Yeh, J.I, Pohl, E, Truan, D, He, W, Sheldrick, G.M, Achim, C. | Deposit date: | 2010-03-26 | Release date: | 2011-03-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | The crystal structure of non-modified and bipyridine-modified PNA duplexes. Chemistry, 16, 2010
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3O5N
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![BU of 3o5n by Molmil](/molmil-images/mine/3o5n) | Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | Descriptor: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3 | Authors: | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | Deposit date: | 2010-07-28 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain. Chemmedchem, 6, 2011
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1TTX
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![BU of 1ttx by Molmil](/molmil-images/mine/1ttx) | Solution Structure of human beta parvalbumin (oncomodulin) refined with a paramagnetism based strategy | Descriptor: | CALCIUM ION, Oncomodulin | Authors: | Babini, E, Bertini, I, Capozzi, F, Del Bianco, C, Hollender, D, Kiss, T, Luchinat, C, Quattrone, A, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-06-23 | Release date: | 2005-01-18 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of Human beta-Parvalbumin and Structural Comparison with Its Paralog alpha-Parvalbumin and with Their Rat Orthologs(,) Biochemistry, 43, 2004
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1BFY
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![BU of 1bfy by Molmil](/molmil-images/mine/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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