4QD6
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![BU of 4qd6 by Molmil](/molmil-images/mine/4qd6) | ITK kinase domain in complex with inhibitor compound | Descriptor: | Tyrosine-protein kinase ITK/TSK, trans-4-({6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | Deposit date: | 2014-05-13 | Release date: | 2015-01-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK). Bioorg.Med.Chem.Lett., 24, 2014
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4N80
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![BU of 4n80 by Molmil](/molmil-images/mine/4n80) | Crystal structure of Tse3-Tsi3 complex | Descriptor: | CALCIUM ION, Uncharacterized protein, ZINC ION | Authors: | Shang, G.J. | Deposit date: | 2013-10-16 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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5I79
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![BU of 5i79 by Molmil](/molmil-images/mine/5i79) | Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex with sugar | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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5UM1
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![BU of 5um1 by Molmil](/molmil-images/mine/5um1) | XFEL structure of influenza A M2 wild type TM domain at intermediate pH in the lipidic cubic phase at room temperature | Descriptor: | CALCIUM ION, CHLORIDE ION, Matrix protein 2 | Authors: | Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F. | Deposit date: | 2017-01-25 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5I77
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![BU of 5i77 by Molmil](/molmil-images/mine/5i77) | Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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4PPB
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![BU of 4ppb by Molmil](/molmil-images/mine/4ppb) | |
4PPC
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![BU of 4ppc by Molmil](/molmil-images/mine/4ppc) | |
4PPA
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![BU of 4ppa by Molmil](/molmil-images/mine/4ppa) | |
7BPU
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![BU of 7bpu by Molmil](/molmil-images/mine/7bpu) | |
7EPX
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![BU of 7epx by Molmil](/molmil-images/mine/7epx) | S protein of SARS-CoV-2 in complex with GW01 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q. | Deposit date: | 2021-04-28 | Release date: | 2022-05-18 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses. Cell Discov, 8, 2022
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7CYD
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![BU of 7cyd by Molmil](/molmil-images/mine/7cyd) | Cryo-EM structures of Alphacoronavirus spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | Deposit date: | 2020-09-03 | Release date: | 2020-12-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes. Nat Commun, 12, 2021
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7CYC
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![BU of 7cyc by Molmil](/molmil-images/mine/7cyc) | Cryo-EM structures of Alphacoronavirus spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | Deposit date: | 2020-09-03 | Release date: | 2020-12-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes. Nat Commun, 12, 2021
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5IPJ
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![BU of 5ipj by Molmil](/molmil-images/mine/5ipj) | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor. | Descriptor: | 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Mohr, C. | Deposit date: | 2016-03-09 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors. J.Med.Chem., 59, 2016
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6MNL
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![BU of 6mnl by Molmil](/molmil-images/mine/6mnl) | |
6M31
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![BU of 6m31 by Molmil](/molmil-images/mine/6m31) | |
8X5D
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![BU of 8x5d by Molmil](/molmil-images/mine/8x5d) | |
7FAH
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![BU of 7fah by Molmil](/molmil-images/mine/7fah) | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | Deposit date: | 2021-07-06 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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4ZTO
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8Z5J
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![BU of 8z5j by Molmil](/molmil-images/mine/8z5j) | Beta-catenin Crystal Structure | Descriptor: | Catenin beta-1 | Authors: | Tim, F. | Deposit date: | 2024-04-18 | Release date: | 2024-05-22 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells. J.Med.Chem., 2024
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8Z61
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![BU of 8z61 by Molmil](/molmil-images/mine/8z61) | Human beta-catenin crystal structure | Descriptor: | Catenin beta-1 | Authors: | Tim, F. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells. J.Med.Chem., 2024
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4ZTP
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![BU of 4ztp by Molmil](/molmil-images/mine/4ztp) | |
5AGM
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![BU of 5agm by Molmil](/molmil-images/mine/5agm) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid | Descriptor: | (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-02-02 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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5AGN
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![BU of 5agn by Molmil](/molmil-images/mine/5agn) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-hydroxyacetimidamido)pentanoic acid | Descriptor: | (S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-02-02 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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5AGL
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![BU of 5agl by Molmil](/molmil-images/mine/5agl) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid | Descriptor: | (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-02-02 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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5AGK
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![BU of 5agk by Molmil](/molmil-images/mine/5agk) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (2S)-2-Amino-5-(2-(methylsulfinyl)acetimidamido) pentanoic acid | Descriptor: | (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-02-02 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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