4TW9
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![BU of 4tw9 by Molmil](/molmil-images/mine/4tw9) | Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation | Descriptor: | CHLORIDE ION, Casein kinase I isoform delta, N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide, ... | Authors: | Richter, J, Bischof, J, Zaja, M, Kohlhof, H, Othersen, O, Vitt, D, Alscher, V, Pospiech, I, Garcia-Reyes, B, Berg, S, Leban, J, Knippschild, U. | Deposit date: | 2014-06-30 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Difluoro-dioxolo-benzoimidazol-benzamides As Potent Inhibitors of CK1 delta and epsilon with Nanomolar Inhibitory Activity on Cancer Cell Proliferation. J.Med.Chem., 57, 2014
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4TW5
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![BU of 4tw5 by Molmil](/molmil-images/mine/4tw5) | |
4TY6
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![BU of 4ty6 by Molmil](/molmil-images/mine/4ty6) | |
4USE
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![BU of 4use by Molmil](/molmil-images/mine/4use) | Human STK10 (LOK) with SB-633825 | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2014-07-07 | Release date: | 2015-07-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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4V0M
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![BU of 4v0m by Molmil](/molmil-images/mine/4v0m) | Crystal structure of BBS1N in complex with ARL6DN | Descriptor: | ARF-LIKE SMALL GTPASE, BARDET-BIEDL SYNDROME 1 PROTEIN, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Mourao, A, Lorentzen, E. | Deposit date: | 2014-09-17 | Release date: | 2014-11-19 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Structural Basis for Membrane Targeting of the Bbsome by Arl6 Nat.Struct.Mol.Biol., 21, 2014
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4W96
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![BU of 4w96 by Molmil](/molmil-images/mine/4w96) | Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 followed by the reaction in deoxy-myoglobin solution | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... | Authors: | Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. | Deposit date: | 2014-08-27 | Release date: | 2014-12-31 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold Inorg.Chem., 54, 2015
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4WBS
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4UWV
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![BU of 4uwv by Molmil](/molmil-images/mine/4uwv) | Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 8) | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ... | Authors: | Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. | Deposit date: | 2014-08-14 | Release date: | 2014-12-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co. Dalton Trans, 44, 2015
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4UYL
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![BU of 4uyl by Molmil](/molmil-images/mine/4uyl) | Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI | Descriptor: | 14-ALPHA STEROL DEMETHYLASE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2014-09-01 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs J.Biol.Chem., 290, 2015
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101M
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![BU of 101m by Molmil](/molmil-images/mine/101m) | SPERM WHALE MYOGLOBIN F46V N-BUTYL ISOCYANIDE AT PH 9.0 | Descriptor: | MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-13 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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102M
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![BU of 102m by Molmil](/molmil-images/mine/102m) | SPERM WHALE MYOGLOBIN H64A AQUOMET AT PH 9.0 | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-15 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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103M
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![BU of 103m by Molmil](/molmil-images/mine/103m) | SPERM WHALE MYOGLOBIN H64A N-BUTYL ISOCYANIDE AT PH 9.0 | Descriptor: | MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-16 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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105M
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![BU of 105m by Molmil](/molmil-images/mine/105m) | SPERM WHALE MYOGLOBIN N-BUTYL ISOCYANIDE AT PH 9.0 | Descriptor: | MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-18 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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106M
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![BU of 106m by Molmil](/molmil-images/mine/106m) | SPERM WHALE MYOGLOBIN V68F ETHYL ISOCYANIDE AT PH 9.0 | Descriptor: | ETHYL ISOCYANIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-21 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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104M
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![BU of 104m by Molmil](/molmil-images/mine/104m) | SPERM WHALE MYOGLOBIN N-BUTYL ISOCYANIDE AT PH 7.0 | Descriptor: | MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-18 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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107M
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![BU of 107m by Molmil](/molmil-images/mine/107m) | SPERM WHALE MYOGLOBIN V68F N-BUTYL ISOCYANIDE AT PH 9.0 | Descriptor: | MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-22 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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108M
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![BU of 108m by Molmil](/molmil-images/mine/108m) | SPERM WHALE MYOGLOBIN V68F N-BUTYL ISOCYANIDE AT PH 7.0 | Descriptor: | MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-23 | Release date: | 1998-05-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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109M
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![BU of 109m by Molmil](/molmil-images/mine/109m) | SPERM WHALE MYOGLOBIN D122N ETHYL ISOCYANIDE AT PH 9.0 | Descriptor: | ETHYL ISOCYANIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-22 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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110M
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![BU of 110m by Molmil](/molmil-images/mine/110m) | SPERM WHALE MYOGLOBIN D122N METHYL ISOCYANIDE AT PH 9.0 | Descriptor: | METHYL ISOCYANIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-23 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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111M
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![BU of 111m by Molmil](/molmil-images/mine/111m) | SPERM WHALE MYOGLOBIN D122N N-BUTYL ISOCYANIDE AT PH 9.0 | Descriptor: | MYOGLOBIN, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-24 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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112M
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![BU of 112m by Molmil](/molmil-images/mine/112m) | SPERM WHALE MYOGLOBIN D122N N-PROPYL ISOCYANIDE AT PH 9.0 | Descriptor: | MYOGLOBIN, N-PROPYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Smith, R.D, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1997-12-24 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Correlations between Bound N-Alkyl Isocyanide Orientations and Pathways for Ligand Binding in Recombinant Myoglobins Thesis, Rice, 1999
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1AK9
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![BU of 1ak9 by Molmil](/molmil-images/mine/1ak9) | SUBTILISIN MUTANT 8321 | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ... | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | Deposit date: | 1997-05-30 | Release date: | 1997-11-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding. Biochemistry, 28, 1989
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121P
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![BU of 121p by Molmil](/molmil-images/mine/121p) | STRUKTUR UND GUANOSINTRIPHOSPHAT-HYDROLYSEMECHANISMUS DES C-TERMINAL VERKUERZTEN MENSCHLICHEN KREBSPROTEINS P21-H-RAS | Descriptor: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Krengel, U, Scheffzek, K, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | Deposit date: | 1991-06-06 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C-Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras Thesis, 1991
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11BA
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![BU of 11ba by Molmil](/molmil-images/mine/11ba) | BINDING OF A SUBSTRATE ANALOGUE TO A DOMAIN SWAPPING PROTEIN IN THE COMPLEX OF BOVINE SEMINAL RIBONUCLEASE WITH URIDYLYL-2',5'-ADENOSINE | Descriptor: | PROTEIN (RIBONUCLEASE, SEMINAL), SULFATE ION, ... | Authors: | Vitagliano, L, Adinolfi, S, Riccio, A, Sica, F, Zagari, A, Mazzarella, L. | Deposit date: | 1999-03-17 | Release date: | 1999-03-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2',5')adenosine. Protein Sci., 7, 1998
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11BG
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![BU of 11bg by Molmil](/molmil-images/mine/11bg) | A POTENTIAL ALLOSTERIC SUBSITE GENERATED BY DOMAIN SWAPPING IN BOVINE SEMINAL RIBONUCLEASE | Descriptor: | PROTEIN (BOVINE SEMINAL RIBONUCLEASE), SULFATE ION, URIDYLYL-2'-5'-PHOSPHO-GUANOSINE | Authors: | Vitagliano, L, Adinolfi, S, Sica, F, Merlino, A, Zagari, A, Mazzarella, L. | Deposit date: | 1999-03-11 | Release date: | 1999-11-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease. J.Mol.Biol., 293, 1999
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