8GI8
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![BU of 8gi8 by Molmil](/molmil-images/mine/8gi8) | Kalium channelrhodopsin 1 from Hyphochytrium catenoides (HcKCR1) embedded in peptidisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, Kalium Channelrhodopsin 1, ... | Authors: | Morizumi, T, Kim, K, Li, H, Spudich, J.L, Ernst, O.P. | Deposit date: | 2023-03-13 | Release date: | 2023-07-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structures of channelrhodopsin paralogs in peptidiscs explain their contrasting K + and Na + selectivities. Nat Commun, 14, 2023
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8GB3
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6M2B
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![BU of 6m2b by Molmil](/molmil-images/mine/6m2b) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Li, H. | Deposit date: | 2020-02-27 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein Cell, 11, 2020
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6JHR
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![BU of 6jhr by Molmil](/molmil-images/mine/6jhr) | The cryo-EM structure of HAV bound to a neutralizing antibody-F6 | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors. Plos Biol., 17, 2019
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8GQD
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![BU of 8gqd by Molmil](/molmil-images/mine/8gqd) | Complex Structure of Arginine Kinase McsB and McsA from Staphylococcus aureus | Descriptor: | Protein-arginine kinase, Protein-arginine kinase activator protein, ZINC ION | Authors: | Lu, K, Luo, B, Tao, X, Li, H, Xie, Y, Zhao, Z, Xia, W, Su, Z, Mao, Z. | Deposit date: | 2022-08-30 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Complex Structure and Activation Mechanism of Arginine Kinase McsB by McsA To Be Published
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7W0V
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![BU of 7w0v by Molmil](/molmil-images/mine/7w0v) | C4'-SCF3-DT modifeid DNA-DNA duplex | Descriptor: | DNA (5'-D(*CP*CP*AP*TP*(DSW)P*AP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3') | Authors: | Li, Q, Trajkovski, M, Fan, C, Chen, J, Zhou, Y, Lu, K, Li, H, Su, X, Xi, Z, Plavec, J, Zhou, C. | Deposit date: | 2021-11-18 | Release date: | 2022-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | 4'-SCF 3 -Labeling Constitutes a Sensitive 19 F NMR Probe for Characterization of Interactions in the Minor Groove of DNA. Angew.Chem.Int.Ed.Engl., 61, 2022
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6JHQ
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![BU of 6jhq by Molmil](/molmil-images/mine/6jhq) | The cryo-EM structure of HAV bound to a neutralizing antibody-F4 | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors. Plos Biol., 17, 2019
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6JHT
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![BU of 6jht by Molmil](/molmil-images/mine/6jht) | The cryo-EM structure of HAV bound to a neutralizing antibody-F9 | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.79 Å) | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors. Plos Biol., 17, 2019
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6JHS
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![BU of 6jhs by Molmil](/molmil-images/mine/6jhs) | The cryo-EM structure of HAV bound to a neutralizing antibody-F7 | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors. Plos Biol., 17, 2019
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6NH5
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![BU of 6nh5 by Molmil](/molmil-images/mine/6nh5) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.959 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NH1
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![BU of 6nh1 by Molmil](/molmil-images/mine/6nh1) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.216 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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7WWS
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![BU of 7wws by Molmil](/molmil-images/mine/7wws) | Structure of a triple-helix region of human collagen type III from Trautec | Descriptor: | Collagen alpha-1(III) chain | Authors: | Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. | Deposit date: | 2022-02-14 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of a triple-helix region of human collagen type III from Trautec To Be Published
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7WWR
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![BU of 7wwr by Molmil](/molmil-images/mine/7wwr) | Structure of a triple-helix region of human collagen type III from Trautec | Descriptor: | Collagen alpha-1(III) chain | Authors: | Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. | Deposit date: | 2022-02-14 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of a triple-helix region of human collagen type III from Trautec To Be Published
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7XAN
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![BU of 7xan by Molmil](/molmil-images/mine/7xan) | Structure of a triple-helix region of human collagen type III from Trautec | Descriptor: | Collagen alpha-1(III) chain | Authors: | Qian, S, Li, H, Fan, X, Tian, X, Li, J, Wang, L, Chu, Y. | Deposit date: | 2022-03-18 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a triple-helix region of human collagen type III from Trautec To Be Published
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7E7A
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![BU of 7e7a by Molmil](/molmil-images/mine/7e7a) | Crystal structure of apo ENL YEATS domain T3 mutant | Descriptor: | Protein ENL | Authors: | Li, Y, Li, H. | Deposit date: | 2021-02-25 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Crystal structure of ENL YEATS domain T1 mutant in complex with histone H3 acetylation at K27 To Be Published
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6NH2
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![BU of 6nh2 by Molmil](/molmil-images/mine/6nh2) | Structure of human endothelial nitric oxide synthase heme domain in complex with (R)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NH4
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![BU of 6nh4 by Molmil](/molmil-images/mine/6nh4) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoropyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NH6
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![BU of 6nh6 by Molmil](/molmil-images/mine/6nh6) | Structure of the human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,6-difluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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3R0A
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![BU of 3r0a by Molmil](/molmil-images/mine/3r0a) | |
5Z93
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![BU of 5z93 by Molmil](/molmil-images/mine/5z93) | |
4ILR
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![BU of 4ilr by Molmil](/molmil-images/mine/4ilr) | |
4DOX
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![BU of 4dox by Molmil](/molmil-images/mine/4dox) | |
4EVX
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![BU of 4evx by Molmil](/molmil-images/mine/4evx) | Crystal structure of putative phage endolysin from S. enterica | Descriptor: | Putative phage endolysin | Authors: | Michalska, K, Li, H, Jedrzejczak, R, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-04-26 | Release date: | 2012-05-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of putative phage endolysin from S. enterica To be Published
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4L4D
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![BU of 4l4d by Molmil](/molmil-images/mine/4l4d) | Structure of cyanide and camphor bound P450cam mutant L358A | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4L4E
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![BU of 4l4e by Molmil](/molmil-images/mine/4l4e) | Structure of cyanide and camphor bound P450cam mutant L358A/K178G | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.261 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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