6D3B
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![BU of 6d3b by Molmil](/molmil-images/mine/6d3b) | INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) APO FORM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J. | Deposit date: | 2018-04-15 | Release date: | 2019-01-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk. Acta Crystallogr.,Sect.F, 75, 2019
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6CPW
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![BU of 6cpw by Molmil](/molmil-images/mine/6cpw) | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | Descriptor: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Hruza, A, Hruza, A. | Deposit date: | 2018-03-14 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
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1Y4L
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![BU of 1y4l by Molmil](/molmil-images/mine/1y4l) | Crystal structure of Bothrops asper myotoxin II complexed with the anti-trypanosomal drug suramin | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Murakami, M.T, Arruda, E.Z, Melo, P.A, Martinez, A.B, Calil-Elias, S, Tomaz, M.A, Lomonte, B, Gutierrez, J.M, Arni, R.K. | Deposit date: | 2004-12-01 | Release date: | 2005-06-28 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of Myotoxic Activity of Bothrops asper Myotoxin II by the Anti-trypanosomal Drug Suramin. J.Mol.Biol., 350, 2005
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6D3L
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![BU of 6d3l by Molmil](/molmil-images/mine/6d3l) | Crystal structure of unphosphorylated human PKR | Descriptor: | Interferon-induced, double-stranded RNA-activated protein kinase | Authors: | Erlandsen, H, Mayo, C, Robinson, V.L, Cole, J.L. | Deposit date: | 2018-04-16 | Release date: | 2019-07-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis of Protein Kinase R Autophosphorylation. Biochemistry, 58, 2019
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6CRE
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![BU of 6cre by Molmil](/molmil-images/mine/6cre) | Dehaloperoxidase B in complex with 5-Br-ortho-guaiacol | Descriptor: | 5-bromo-2-methoxyphenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2018-03-17 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase. Biochemistry, 57, 2018
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1Y5A
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![BU of 1y5a by Molmil](/molmil-images/mine/1y5a) | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | Descriptor: | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, GLYCEROL, ... | Authors: | Di Fenza, A, Heine, A, Klebe, G. | Deposit date: | 2004-12-02 | Release date: | 2005-12-13 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions Chemmedchem, 2, 2007
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6CSB
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![BU of 6csb by Molmil](/molmil-images/mine/6csb) | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | Authors: | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | Deposit date: | 2018-03-20 | Release date: | 2019-03-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding To Be Published
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1Y75
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![BU of 1y75 by Molmil](/molmil-images/mine/1y75) | A new form of catalytically inactive phospholipase A2 with an unusual disulphide bridge Cys 32- Cys 49 reveals recognition for N-acetylglucosmine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, phospholipase A2 isoform 5, ... | Authors: | Jabeen, T, Singh, N, Jasti, J, Singh, R.K, Sharma, S, Perbandt, M, Betzel, C, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2004-12-08 | Release date: | 2005-05-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a heterodimer of phospholipase A2 from Naja naja sagittifera at 2.3 A resolution reveals the presence of a new PLA2-like protein with a novel cys 32-Cys 49 disulphide bridge with a bound sugar at the substrate-binding site Proteins, 62, 2006
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1Y8H
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![BU of 1y8h by Molmil](/molmil-images/mine/1y8h) | HORSE METHEMOGLOBIN LOW SALT, PH 7.0 | Descriptor: | Hemoglobin alpha chains, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sankaranarayanan, R, Biswal, B.K, Vijayan, M. | Deposit date: | 2004-12-13 | Release date: | 2005-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A new relaxed state in horse methemoglobin characterized by crystallographic studies. Proteins, 60, 2005
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6CXY
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1YAM
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![BU of 1yam by Molmil](/molmil-images/mine/1yam) | CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K. | Deposit date: | 1995-09-29 | Release date: | 1996-04-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants. J.Mol.Biol., 254, 1995
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1YAN
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![BU of 1yan by Molmil](/molmil-images/mine/1yan) | CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K. | Deposit date: | 1995-09-29 | Release date: | 1996-04-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants. J.Mol.Biol., 254, 1995
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1YAP
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![BU of 1yap by Molmil](/molmil-images/mine/1yap) | CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K. | Deposit date: | 1995-09-29 | Release date: | 1996-04-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants. J.Mol.Biol., 254, 1995
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1YAQ
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![BU of 1yaq by Molmil](/molmil-images/mine/1yaq) | CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K. | Deposit date: | 1995-09-29 | Release date: | 1996-04-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants. J.Mol.Biol., 254, 1995
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7T47
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![BU of 7t47 by Molmil](/molmil-images/mine/7t47) | KRAS G12D (GppCp) with MRTX-1133 | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, ACETATE ION, GLYCEROL, ... | Authors: | Thomas, N.C, Gunn, R.J, Lawson, J.D, Wang, X, Matthew, M.A. | Deposit date: | 2021-12-09 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | A Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors Nature, 2022
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6CUK
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![BU of 6cuk by Molmil](/molmil-images/mine/6cuk) | |
1YEQ
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![BU of 1yeq by Molmil](/molmil-images/mine/1yeq) | T-To-T(High) quaternary transitions in human hemoglobin: betaW37Y OXY (10 test sets) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2004-12-28 | Release date: | 2005-01-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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6CVC
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1YFF
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![BU of 1yff by Molmil](/molmil-images/mine/1yff) | STRUCTURE OF HUMAN CARBONMONOXYHEMOGLOBIN C (BETA E6K): TWO QUATERNARY STATES (R2 and R3) IN ONE CRYSTAL | Descriptor: | CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ... | Authors: | Patskovska, L, Patskovsky, Y, Hirsch, R.E, Almo, S.C. | Deposit date: | 2004-12-31 | Release date: | 2005-01-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanism of Quaternary Transitions in Human Liganded Hemoglobin To be Published
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1YDZ
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![BU of 1ydz by Molmil](/molmil-images/mine/1ydz) | T-To-T(High) quaternary transitions in human hemoglobin: alphaY140F oxy (2MM IHP, 20% PEG) (1 test set) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2004-12-27 | Release date: | 2005-01-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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1YEA
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![BU of 1yea by Molmil](/molmil-images/mine/1yea) | |
1YEN
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![BU of 1yen by Molmil](/molmil-images/mine/1yen) | T-To-T(High) quaternary transitions in human hemoglobin: betaP36A oxy (2MM IHP, 20% PEG) (10 test sets) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2004-12-28 | Release date: | 2005-01-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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1Y0W
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1Y22
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1Y0C
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![BU of 1y0c by Molmil](/molmil-images/mine/1y0c) | |