6V52
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![BU of 6v52 by Molmil](/molmil-images/mine/6v52) | IDO1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Koenig, K.V, Augustin, M.A. | Deposit date: | 2019-12-03 | Release date: | 2020-04-08 | Last modified: | 2020-04-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1). Acs Med.Chem.Lett., 11, 2020
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7KBH
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7KBG
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![BU of 7kbg by Molmil](/molmil-images/mine/7kbg) | |
6WJY
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![BU of 6wjy by Molmil](/molmil-images/mine/6wjy) | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | Descriptor: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A, Neumann, L. | Deposit date: | 2020-04-14 | Release date: | 2020-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors. Acs Med.Chem.Lett., 11, 2020
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5I9M
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![BU of 5i9m by Molmil](/molmil-images/mine/5i9m) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT408 | Descriptor: | 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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7R6J
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![BU of 7r6j by Molmil](/molmil-images/mine/7r6j) | Co-crystal structure of Chaetomium glucosidase with compound 1 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-06-22 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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7REV
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![BU of 7rev by Molmil](/molmil-images/mine/7rev) | Co-crystal structure of Chaetomium glucosidase with compound 3 | Descriptor: | (2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-07-13 | Release date: | 2022-08-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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7RD2
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![BU of 7rd2 by Molmil](/molmil-images/mine/7rd2) | Co-crystal structure of Chaetomium glucosidase with compound 2 | Descriptor: | (2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-07-09 | Release date: | 2023-02-22 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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5I9N
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![BU of 5i9n by Molmil](/molmil-images/mine/5i9n) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT412 | Descriptor: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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7XOZ
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![BU of 7xoz by Molmil](/molmil-images/mine/7xoz) | Crystal structure of RPPT-TIR | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | Authors: | Song, W, Jia, A, Huang, S, Chai, J. | Deposit date: | 2022-05-02 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity. Science, 377, 2022
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7S5Q
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7S5R
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![BU of 7s5r by Molmil](/molmil-images/mine/7s5r) | |
7S5P
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![BU of 7s5p by Molmil](/molmil-images/mine/7s5p) | |
5I7E
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![BU of 5i7e by Molmil](/molmil-images/mine/5i7e) | |
8WCP
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![BU of 8wcp by Molmil](/molmil-images/mine/8wcp) | |
4XKG
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![BU of 4xkg by Molmil](/molmil-images/mine/4xkg) | Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus in complex with 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Tzarum, N, Zhu, X, Wilson, I.A. | Deposit date: | 2015-01-11 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus. Cell Host Microbe, 17, 2015
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4XQO
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![BU of 4xqo by Molmil](/molmil-images/mine/4xqo) | Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A. | Deposit date: | 2015-01-19 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors. Cell Host Microbe, 17, 2015
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4XKD
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4XQ5
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![BU of 4xq5 by Molmil](/molmil-images/mine/4xq5) | Human-infecting H10N8 influenza virus retains strong preference for avian-type receptors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A. | Deposit date: | 2015-01-19 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.592 Å) | Cite: | A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors. Cell Host Microbe, 17, 2015
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4XKF
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![BU of 4xkf by Molmil](/molmil-images/mine/4xkf) | Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus in complex with LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Tzarum, N, Zhu, X, Wilson, I.A. | Deposit date: | 2015-01-11 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.446 Å) | Cite: | Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus. Cell Host Microbe, 17, 2015
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4XKE
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![BU of 4xke by Molmil](/molmil-images/mine/4xke) | Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus in complex with 3'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Tzarum, N, Zhu, X, Wilson, I.A. | Deposit date: | 2015-01-11 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.356 Å) | Cite: | Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus. Cell Host Microbe, 17, 2015
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4XQU
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![BU of 4xqu by Molmil](/molmil-images/mine/4xqu) | Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 3'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A. | Deposit date: | 2015-01-20 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors. Cell Host Microbe, 17, 2015
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7XJP
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![BU of 7xjp by Molmil](/molmil-images/mine/7xjp) | Cryo-EM structure of EDS1 and SAG101 with ATP-APDR | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, ISOPROPYL ALCOHOL, ... | Authors: | Huang, S.J, Jia, A.L, Han, Z.F, Chai, J.J. | Deposit date: | 2022-04-18 | Release date: | 2022-07-20 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity. Science, 377, 2022
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8H05
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8H03
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![BU of 8h03 by Molmil](/molmil-images/mine/8h03) | |