4KCJ
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![BU of 4kcj by Molmil](/molmil-images/mine/4kcj) | Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-((ethane-1,2-diylbis(oxy))bis(3,1-phenylene))bis(thiophene-2-carboximidamide) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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4KCI
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![BU of 4kci by Molmil](/molmil-images/mine/4kci) | Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-(ethane-1,2-diylbis(3,1-phenylene))bis(thiophene-2-carboximidamide) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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4KCH
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![BU of 4kch by Molmil](/molmil-images/mine/4kch) | Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-([1,1'-biphenyl]-3,3'-diyl)bis(thiophene-2-carboximidamide) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N'-biphenyl-3,3'-diyldithiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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4KCR
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![BU of 4kcr by Molmil](/molmil-images/mine/4kcr) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(3-(((3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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7E9B
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![BU of 7e9b by Molmil](/molmil-images/mine/7e9b) | |
7EXP
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![BU of 7exp by Molmil](/molmil-images/mine/7exp) | Crystal structure of zebrafish TRAP1 with AMPPNP and MitoQ | Descriptor: | 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione, COBALT (II) ION, MAGNESIUM ION, ... | Authors: | Lee, H, Yoon, N.G, Kang, B.H, Lee, C. | Deposit date: | 2021-05-28 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Mitoquinone Inactivates Mitochondrial Chaperone TRAP1 by Blocking the Client Binding Site. J.Am.Chem.Soc., 143, 2021
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8JOP
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![BU of 8jop by Molmil](/molmil-images/mine/8jop) | Crystal structure of the SARS-CoV-2 main protease in complex with 11a | Descriptor: | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | Authors: | Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J. | Deposit date: | 2023-06-08 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease. Bioorg.Med.Chem.Lett., 92, 2023
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7DWC
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![BU of 7dwc by Molmil](/molmil-images/mine/7dwc) | Bacteroides thetaiotaomicron VPI5482 BTAxe1 | Descriptor: | Xylanase | Authors: | Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C. | Deposit date: | 2021-01-17 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron. J.Agric.Food Chem., 69, 2021
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8I30
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![BU of 8i30 by Molmil](/molmil-images/mine/8i30) | Crystal structure of the SARS-CoV-2 main protease in complex with 32j | Descriptor: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2023-01-16 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease. Eur.J.Med.Chem., 259, 2023
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2MUN
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7EEJ
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![BU of 7eej by Molmil](/molmil-images/mine/7eej) | Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with cellobiose | Descriptor: | GLYCEROL, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | Authors: | Jiang, Z.Q, Ma, J.W. | Deposit date: | 2021-03-18 | Release date: | 2022-03-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47798049 Å) | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp. J.Struct.Biol., 213, 2021
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7EE2
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![BU of 7ee2 by Molmil](/molmil-images/mine/7ee2) | Structural insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.CQ31 | Descriptor: | GLYCEROL, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | Authors: | Jiang, Z.Q, Ma, J. | Deposit date: | 2021-03-17 | Release date: | 2022-03-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.37011635 Å) | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp. J.Struct.Biol., 213, 2021
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7EEE
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![BU of 7eee by Molmil](/molmil-images/mine/7eee) | Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with gentiobiose | Descriptor: | GLYCEROL, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | Authors: | Jiang, Z.Q, Ma, J.W. | Deposit date: | 2021-03-18 | Release date: | 2022-03-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.660792 Å) | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp. J.Struct.Biol., 213, 2021
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7WV9
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![BU of 7wv9 by Molmil](/molmil-images/mine/7wv9) | Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ... | Authors: | Xu, Z, Shao, Z. | Deposit date: | 2022-02-10 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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5XS2
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![BU of 5xs2 by Molmil](/molmil-images/mine/5xs2) | |
5XQX
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![BU of 5xqx by Molmil](/molmil-images/mine/5xqx) | |
5YZ9
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![BU of 5yz9 by Molmil](/molmil-images/mine/5yz9) | zinc finger domain of METTL3-METTL14 N6-methyladenosine methyltransferase | Descriptor: | N6-adenosine-methyltransferase catalytic subunit, ZINC ION | Authors: | Dong, X, Tang, C, Gong, Z, Yin, P, Huang, J.B. | Deposit date: | 2017-12-13 | Release date: | 2018-03-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Solution structure of the RNA recognition domain of METTL3-METTL14 N6-methyladenosine methyltransferase. Protein Cell, 10, 2019
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7VHV
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![BU of 7vhv by Molmil](/molmil-images/mine/7vhv) | Crystal structure of S. aureus D-alanine alanyl carrier protein ligase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanyl carrier protein ligase, MAGNESIUM ION | Authors: | Lee, B.J, Lee, I.-G, Im, H.G, Yoon, H.J. | Deposit date: | 2021-09-23 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and functional analysis of the D-alanyl carrier protein ligase DltA from Staphylococcus aureus Mu50. Acta Crystallogr D Struct Biol, 78, 2022
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7VGC
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![BU of 7vgc by Molmil](/molmil-images/mine/7vgc) | |
7WR8
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![BU of 7wr8 by Molmil](/molmil-images/mine/7wr8) | |
7WRJ
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7W0G
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![BU of 7w0g by Molmil](/molmil-images/mine/7w0g) | Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 | Descriptor: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | Deposit date: | 2021-11-18 | Release date: | 2022-02-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.443 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis. J.Med.Chem., 65, 2022
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7WRO
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![BU of 7wro by Molmil](/molmil-images/mine/7wro) | Local structure of BD55-3372 and delta spike | Descriptor: | 3372H, 3372L, Spike protein S1 | Authors: | Liu, P.L. | Deposit date: | 2022-01-27 | Release date: | 2022-06-22 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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7WRL
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![BU of 7wrl by Molmil](/molmil-images/mine/7wrl) | |
7WRZ
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![BU of 7wrz by Molmil](/molmil-images/mine/7wrz) | Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ... | Authors: | Zhang, Z.Z, Xiao, J.J. | Deposit date: | 2022-01-28 | Release date: | 2022-06-22 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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